data_2jva_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 2jva _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 43.6 ttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.73 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 43.9 tp -99.81 101.3 12.4 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.309 0.576 . . . . 0.0 109.548 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.61 117.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.59 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.35 -53.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.386 0.613 . . . . 0.0 109.621 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.569 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 37.0 m -124.35 179.94 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.611 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.88 -36.74 64.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.293 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -102.69 4.51 38.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.447 0.642 . . . . 0.0 110.427 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.569 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 83.8 t -124.37 118.02 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.23 0.538 . . . . 0.0 109.717 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.438 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 36.6 m80 -130.0 141.11 50.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.755 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.73 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 93.6 mt -103.64 108.19 58.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.866 0.365 . . . . 0.0 110.383 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.16 141.51 98.13 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.902 2.401 . . . . 0.0 111.755 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.65 -35.06 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.528 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.38 -26.37 66.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.558 ' OE2' ' HA ' ' A' ' 46' ' ' SER . 24.5 mt-10 -90.13 3.98 51.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.182 0.515 . . . . 0.0 110.724 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.1 mt -117.88 114.84 46.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.91 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 83.0 tt0 -93.02 98.57 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.046 0.451 . . . . 0.0 110.766 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -95.87 118.53 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.966 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.22 162.36 18.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.82 129.94 46.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.479 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 59.5 mt -92.21 118.32 37.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.269 0.557 . . . . 0.0 110.653 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.27 175.568 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 m . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 120.854 0.359 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -84.24 12.01 7.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.314 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -79.62 113.08 17.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.312 0.577 . . . . 0.0 111.06 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.6 tpt -98.02 163.49 12.74 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -138.02 134.63 35.04 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.336 0.589 . . . . 0.0 110.572 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 87' ' ' ALA . 57.2 tp -120.5 129.86 54.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.824 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 71.2 ttt-85 -139.58 109.59 6.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.252 0.549 . . . . 0.0 110.141 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.539 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 88.1 t80 -116.15 113.66 23.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.843 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.54 93.73 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.61 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 39.1 mt -62.42 -32.72 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.522 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.51 -24.73 22.86 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -172.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.558 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 12.7 p -64.93 164.99 11.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.326 0.584 . . . . 0.0 112.197 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 p -83.81 15.12 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.19 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 32.7 mt -58.91 133.52 87.0 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.295 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 150.22 75.5 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.775 2.316 . . . . 0.0 111.654 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -48.63 -37.0 33.67 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.256 2.637 . . . . 0.0 112.708 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.54 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 92.3 t80 -56.26 -55.05 38.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.12 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -64.31 -38.73 92.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.61 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 95.4 mttt -60.02 -45.85 91.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.008 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.16 -39.68 86.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.583 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 12.3 mmm180 -60.54 -42.37 96.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.734 0.302 . . . . 0.0 110.975 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 94.5 mt -73.34 -47.46 42.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.431 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.3 -40.91 92.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.29 27.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.583 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.587 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -82.86 163.52 21.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 110.622 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 16.0 20.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.709 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.86 144.47 27.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.303 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -89.33 1.11 56.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.116 -176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -93.69 6.77 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.519 0.676 . . . . 0.0 109.69 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mm -97.83 130.96 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.206 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.6 p -102.56 156.63 17.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -65.15 -25.63 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.678 0.275 . . . . 0.0 111.349 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -84.12 -9.0 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.971 0.415 . . . . 0.0 111.059 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.98 3.09 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.286 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.0 t -132.84 128.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 47.0 mm -86.33 112.93 23.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.46 HG21 ' HG3' ' A' ' 40' ' ' ARG . 23.6 t -124.63 118.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.633 0.254 . . . . 0.0 110.505 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.445 HD11 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -140.03 169.52 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 0.0 110.047 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -141.24 110.31 6.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.835 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . . . -92.27 102.48 14.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.013 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.13 23.44 11.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.007 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -85.51 -57.52 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.002 -172.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.11 164.1 25.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.811 -172.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 3.4 tmt_? -68.01 -32.62 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.327 -175.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.415 ' OG1' ' HG2' ' A' ' 82' ' ' GLN . 16.2 p -117.1 143.44 45.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -62.19 -25.14 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.77 -49.67 76.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.408 . . . . 0.0 110.85 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG2' ' OG1' ' A' ' 79' ' ' THR . 84.6 mm-40 -68.12 -36.71 80.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.325 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.461 ' HB3' ' HB2' ' A' ' 74' ' ' ALA . 62.7 m-80 -68.81 -30.34 68.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.26 177.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -62.99 -49.98 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.403 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.17 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.914 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 28.7 t70 -57.34 -53.27 60.04 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.206 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.451 ' HB3' HD23 ' A' ' 39' ' ' LEU . . . -55.57 -41.77 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.976 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.49 -43.2 86.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.69 0.281 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.13 -38.39 78.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.459 0.647 . . . . 0.0 109.421 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 11.7 ttt180 -60.97 -45.11 96.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.375 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 95' ' ' ILE . 55.9 tp -62.68 -52.08 64.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.973 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 p -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.49 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 1.8 tm-20 -59.5 -47.45 85.47 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.2 -43.1 96.21 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.515 ' HA ' HD23 ' A' ' 56' ' ' LEU . 75.5 mt -63.12 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.6 -34.98 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.982 0.42 . . . . 0.0 110.376 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.879 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 9.9 t-20 -56.31 -49.31 74.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.431 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.456 ' HB3' HD11 ' A' ' 59' ' ' LEU . . . -64.68 -23.35 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.652 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.54 -38.25 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.879 ' HE2' ' HA ' ' A' ' 97' ' ' ASN . 56.9 pttt -81.33 -21.68 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 112.014 -174.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.3 mt . . . . . 0 C--N 1.315 -0.915 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.305 175.233 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 ttm . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.08 0.467 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 51.1 tp -89.54 102.95 15.63 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.277 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.46 110.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.31 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 69.6 mt -95.75 -65.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 171.74 7.22 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -65.12 -38.98 92.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.223 0.535 . . . . 0.0 110.415 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -97.14 3.4 51.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.751 -175.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.08 118.95 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 0.0 110.56 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -127.46 144.12 51.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.674 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.644 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 63.3 mt -108.81 105.05 56.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.751 0.31 . . . . 0.0 110.775 176.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.4 146.27 97.03 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 111.592 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.28 -32.44 64.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.75 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.86 70.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.211 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.14 7.26 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 110.896 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.22 114.82 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.749 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 12.4 tp10 -90.46 102.34 15.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.327 0.584 . . . . 0.0 110.655 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 HD21 ' A' ' 88' ' ' LEU . 83.9 mt -102.05 110.18 22.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.949 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.562 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.76 149.16 42.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.304 178.365 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.43 147.75 30.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.792 0.329 . . . . 0.0 110.379 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.529 HD11 ' HB2' ' A' ' 38' ' ' HIS . 13.6 mt -126.92 164.99 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.426 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.69 0.281 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.465 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 11.7 p -67.17 -72.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.278 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.34 82.47 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.237 0 O-C-N 124.033 0.833 . . . . 0.0 111.96 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 79.7 mtp -110.9 149.24 30.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.262 0.553 . . . . 0.0 111.109 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.562 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 17.7 t-80 -96.57 117.37 30.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.368 174.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.71 118.68 37.31 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.328 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 44.9 ttt180 -126.19 123.75 38.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.202 0.525 . . . . 0.0 110.842 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.512 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.7 t80 -132.84 104.49 6.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.295 175.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.39 89.8 4.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.568 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 54.5 mt -56.45 -41.36 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.29 0.567 . . . . 0.0 110.056 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -54.54 -48.34 72.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.062 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.52 -23.79 27.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.41 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.1 p -63.72 155.83 28.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.242 0.544 . . . . 0.0 111.496 -176.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.7 17.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.983 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.522 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 64.1 mt -62.1 142.22 95.59 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-O 120.599 0.238 . . . . 0.0 110.446 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 139.81 90.0 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.399 2.066 . . . . 0.0 111.394 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.84 -31.41 42.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.253 2.635 . . . . 0.0 112.49 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 88.9 t80 -54.03 -51.87 62.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -65.9 -37.62 86.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 99.2 mttt -60.58 -44.66 95.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.1 -46.23 91.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.752 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 6.9 mmm180 -59.22 -47.34 85.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 91.8 mt -64.98 -44.27 89.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.283 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.12 -42.27 98.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.497 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.44 21.08 1.53 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.868 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -80.45 163.97 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.025 0.44 . . . . 0.0 109.894 178.48 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -90.28 13.52 15.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.62 0.724 . . . . 0.0 110.401 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -96.02 141.61 29.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.315 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -104.63 6.04 34.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.133 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -31.66 12.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.49 109.1 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.092 168.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -68.66 152.16 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -2.83 35.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.14 -12.91 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.22 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.69 47.47 6.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.065 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.7 t -130.22 123.92 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 36.2 mm -97.33 112.48 29.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.0 t -134.52 111.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.19 0.519 . . . . 0.0 110.487 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -134.67 168.97 18.04 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.63 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 37' ' ' MET . 61.0 mttp -128.62 107.14 9.45 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.55 116.79 31.56 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.707 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -123.2 26.41 8.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.405 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -72.72 -44.83 61.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.57 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.59 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 6.0 t80 -92.95 159.06 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.753 0.311 . . . . 0.0 110.462 -177.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.489 ' HD3' ' C ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -70.38 -45.27 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.197 -178.439 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.585 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 5.4 p -97.99 149.9 21.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.649 0.262 . . . . 0.0 110.963 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.3 mt-30 -70.95 -48.95 50.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -175.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -37.41 85.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -176.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.7 -32.89 62.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.754 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.59 ' HB2' ' HB3' ' A' ' 77' ' ' TYR . 9.1 t30 -69.7 -37.59 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -54.49 -56.71 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.827 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.02 75.22 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.391 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.75 -50.99 68.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.589 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.69 -43.57 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.28 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.753 HD21 HD21 ' A' ' 17' ' ' LEU . 89.1 mt -63.86 -44.4 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.88 -41.41 87.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.286 0.565 . . . . 0.0 110.087 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.88 -42.02 98.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.16 -50.98 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.577 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.451 ' HB2' HD22 ' A' ' 2' ' ' LEU . 28.1 t -56.37 -43.27 79.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.78 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.28 -51.48 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.934 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.22 -46.32 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.57 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -52.49 46.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.583 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -73.79 -43.38 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.174 0.511 . . . . 0.0 111.138 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.51 -44.16 95.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.67 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.49 ' HA ' HD13 ' A' ' 101' ' ' LEU . . . -74.8 -15.58 60.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.553 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.03 -31.15 70.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.709 0.29 . . . . 0.0 111.421 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -11.16 37.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.621 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 98' ' ' ALA . 79.7 mt . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.086 0.469 . . . . 0.0 111.991 -173.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.636 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 47.3 tp -103.9 104.49 14.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.519 . . . . 0.0 109.845 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -75.16 115.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.597 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.04 -53.64 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.13 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -141.48 -175.73 4.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.343 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -59.89 -44.25 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.812 0.339 . . . . 0.0 111.539 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -112.07 15.8 20.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.068 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -124.25 118.34 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.246 0.546 . . . . 0.0 110.034 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -132.71 144.14 50.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.043 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.636 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 88.0 mt -110.86 108.21 57.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.02 143.56 79.18 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.945 2.43 . . . . 0.0 111.801 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.9 -32.32 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.286 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.25 67.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.196 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -92.83 4.74 53.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.844 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -115.07 118.08 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.393 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.539 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 17.1 tp10 -99.12 97.13 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 0.0 110.635 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 HD13 ' A' ' 39' ' ' LEU . 57.6 mt -110.74 109.29 19.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.864 175.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -105.47 153.06 22.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.325 -176.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.12 116.99 32.89 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.552 HD12 ' HB2' ' A' ' 38' ' ' HIS . 64.5 mt -96.47 125.23 49.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.072 0.463 . . . . 0.0 110.624 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 121.115 0.483 . . . . 0.0 110.786 174.154 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.954 0.407 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.538 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.9 t -108.05 -1.76 20.19 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.7 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -77.78 111.81 13.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.269 -175.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.9 mtp -100.82 148.68 24.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 25.8 t-80 -99.73 128.88 45.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.592 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' A' ' 87' ' ' ALA . 41.2 tp -113.03 123.92 51.43 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.012 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 44.9 ttt180 -127.49 120.23 27.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.596 168.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.57 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 78.4 t80 -129.13 105.94 8.51 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.63 99.35 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.428 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.612 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 72.5 mt -62.46 -36.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.25 0.547 . . . . 0.0 109.73 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.73 -46.22 89.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.417 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.92 -10.55 36.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -169.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 p -78.24 171.8 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.217 0.532 . . . . 0.0 112.282 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 7.69 2.88 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.706 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.716 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.5 mt -65.03 134.35 96.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.717 0.294 . . . . 0.0 110.98 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 38.8 Cg_exo -62.61 150.29 88.27 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.54 2.16 . . . . 0.0 111.543 172.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.46 -32.03 41.27 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.147 2.565 . . . . 0.0 112.715 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -49.32 -50.91 37.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.187 0.518 . . . . 0.0 111.343 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CD2' ' HD2' ' A' ' 49' ' ' PRO . 97.3 m-85 -73.93 -41.09 62.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.844 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.716 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.3 mttt -62.21 -40.71 96.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.682 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -58.84 -46.8 86.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 111.332 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 35.4 mmt180 -66.06 -46.74 76.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HB3' HD11 ' A' ' 43' ' ' ILE . 84.3 mt -63.25 -44.49 95.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.801 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 1.3 tt -60.68 -40.03 90.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 0.0 110.605 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.98 26.61 6.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.858 -175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.404 HD13 ' H ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -89.6 157.74 17.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.372 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.404 ' H ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -99.29 15.55 25.82 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.96 135.27 50.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.004 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -84.06 4.93 27.9 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.38 -172.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.1 mmp_? -103.95 -11.87 17.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.306 0.575 . . . . 0.0 109.92 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.451 HG12 ' CD1' ' A' ' 70' ' ' ILE . 52.2 mt -98.61 112.5 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.517 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.2 p -82.73 165.06 20.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.217 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -73.06 4.96 3.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 0.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.9 -19.05 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.304 0.573 . . . . 0.0 109.6 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 22.21 46.73 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.092 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.65 139.03 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 110.673 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.57 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 46.6 mm -80.94 123.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.807 174.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.58 116.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 63' ' ' ARG . 5.8 mp -143.93 173.57 11.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.585 0.707 . . . . 0.0 111.767 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -132.74 110.37 10.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.091 -1.413 . . . . 0.0 108.473 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -84.94 101.55 12.44 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -136.67 19.88 3.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.284 0.564 . . . . 0.0 110.259 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -81.43 -41.77 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -93.75 162.49 13.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -65.72 -35.76 81.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.931 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.4 p -110.03 145.65 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.772 0.32 . . . . 0.0 111.561 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 43.5 mt-30 -60.86 -40.05 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.788 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -59.44 -45.29 92.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.463 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -74.69 -31.81 62.0 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.969 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -62.34 -44.07 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.025 0.44 . . . . 0.0 109.87 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.401 ' CG ' HD12 ' A' ' 17' ' ' LEU . 32.5 ttt180 -55.79 -51.49 67.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.506 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.33 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.761 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -69.09 -46.88 66.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.59 . . . . 0.0 110.046 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.509 ' HB2' HD23 ' A' ' 39' ' ' LEU . . . -59.12 -42.36 90.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.449 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.65 -31.17 72.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.218 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.91 -54.27 44.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 95' ' ' ILE . 2.9 tm? -56.5 -51.99 66.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.547 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.544 ' HB2' HD23 ' A' ' 2' ' ' LEU . 22.9 t -69.09 -37.16 78.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.249 -176.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 4.6 mm-40 -70.09 -47.23 62.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.449 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -39.31 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -176.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 91' ' ' LEU . 55.6 mt -54.89 -50.23 63.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 0.0 111.116 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.509 HG13 ' HE3' ' A' ' 100' ' ' LYS . 40.1 t -76.15 -34.31 26.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.511 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 3.1 t-20 -64.26 -35.58 81.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.899 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . . . -61.01 -21.51 63.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.777 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.43 -18.65 58.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.377 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -89.53 -25.35 21.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 109.942 178.081 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 N--CA 1.441 -0.896 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.725 -175.957 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.409 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 49.3 ttm . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.591 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.1 tp -97.08 95.38 7.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.15 116.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.242 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -91.71 -52.94 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -148.76 -166.27 2.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.349 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.81 -52.16 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.417 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -108.89 13.34 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -172.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -124.91 117.45 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.356 0.598 . . . . 0.0 110.185 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.409 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 43.9 m80 -133.93 133.28 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.014 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.591 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 89.2 mt -109.04 112.92 59.69 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-O 120.686 0.279 . . . . 0.0 110.628 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 27.2 Cg_exo -61.98 142.01 91.32 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.624 2.216 . . . . 0.0 111.171 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -55.15 -39.02 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.531 0.682 . . . . 0.0 110.703 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -11.7 57.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.348 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 23.4 mt-10 -86.81 -5.4 59.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.48 0.657 . . . . 0.0 110.167 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -108.88 111.73 37.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.303 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.6 tp10 -86.52 104.06 15.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 -178.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -96.38 110.47 22.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.558 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 3.7 m -115.44 155.05 28.15 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.39 132.43 53.96 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.377 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -115.03 119.46 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.847 0.356 . . . . 0.0 110.576 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.643 176.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.512 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.0 p -97.23 2.89 51.44 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.024 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.96 105.84 2.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.004 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 88.9 mmm -96.34 141.9 29.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.423 177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.558 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 57.3 t-80 -105.62 116.56 32.15 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.337 0.589 . . . . 0.0 109.413 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.747 HD23 HD22 ' A' ' 72' ' ' LEU . 62.3 tp -100.66 120.35 39.93 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.137 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.569 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 39.2 ttt180 -118.09 109.9 16.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.537 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -112.19 108.71 18.05 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.78 97.31 2.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.175 0.512 . . . . 0.0 111.316 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.509 HG21 HD11 ' A' ' 56' ' ' LEU . 58.5 mt -54.63 -39.88 48.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.747 . . . . 0.0 109.579 173.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -66.18 -57.29 7.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.721 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.35 -20.97 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -63.28 155.72 27.71 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.181 0.515 . . . . 0.0 112.234 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -75.41 8.26 2.93 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.744 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HG ' HD21 ' A' ' 10' ' ' LEU . 68.2 mt -65.6 137.65 96.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.817 177.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.38 153.25 23.18 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.195 2.597 . . . . 0.0 112.728 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.86 -34.7 86.57 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.143 2.562 . . . . 0.0 112.29 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -54.02 -46.59 71.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.968 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -71.23 -37.81 71.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.951 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -58.0 -44.5 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.043 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -57.08 -47.77 80.22 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.331 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -57.87 -48.75 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.595 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.509 HD11 HG21 ' A' ' 43' ' ' ILE . 97.4 mt -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -178.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.29 -34.06 77.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.022 0.439 . . . . 0.0 111.928 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.97 18.88 5.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 2.6 tp -79.2 156.94 27.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.361 0.6 . . . . 0.0 109.383 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.41 16.51 19.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.227 -177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.48 133.71 47.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.53 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.2 m -78.55 -2.55 39.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.03 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -81.74 -6.46 59.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.304 0.573 . . . . 0.0 109.83 173.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.2 mm -85.13 114.19 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.143 172.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.9 p -99.53 153.06 19.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 m -65.36 -16.13 63.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.187 0.517 . . . . 0.0 111.041 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.99 -9.01 57.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.326 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 46.46 30.2 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 63.2 t -135.61 135.27 51.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 111.119 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 38.9 mm -85.21 117.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.22 122.65 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.598 0.713 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.747 HD22 HD23 ' A' ' 39' ' ' LEU . 1.8 pt? -154.06 175.51 13.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.962 176.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.57 116.32 12.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.502 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 106.87 18.77 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.575 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.16 22.12 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.289 0.566 . . . . 0.0 110.101 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.42 -52.2 59.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.065 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -95.99 171.29 8.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -71.81 -42.71 66.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.843 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 p -99.62 156.84 16.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.951 0.405 . . . . 0.0 111.154 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 51.1 mt-30 -70.28 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.86 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.535 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -62.95 -29.5 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.224 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -70.99 -47.13 60.61 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.544 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 92.8 m-20 -66.63 -28.77 68.75 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.357 0.598 . . . . 0.0 110.305 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.535 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 39.3 ttt180 -54.59 -53.17 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.05 172.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.2 72.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.097 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 30.9 t70 -56.55 -53.73 54.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.671 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.484 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -57.4 -42.43 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.504 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.22 -41.9 93.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.007 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.6 -49.47 73.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.017 0.437 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -64.84 -29.71 70.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.39 -51.77 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.8 p -62.02 -37.12 83.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -64.5 -40.7 96.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.019 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.77 -44.37 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.972 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.8 t -74.65 -36.86 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.096 0.475 . . . . 0.0 110.508 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.84 -45.43 94.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.16 -17.1 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.61 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.0 -30.21 35.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.808 0.337 . . . . 0.0 110.544 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -91.81 -25.87 18.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.306 0.574 . . . . 0.0 110.847 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.351 -175.536 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.1 ttp . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.798 0.332 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.0 tp -83.93 97.62 9.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.435 0.636 . . . . 0.0 109.85 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.86 109.55 15.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.108 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.62 -41.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.964 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 t -146.08 175.54 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.115 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.02 -30.63 71.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.363 0.602 . . . . 0.0 110.297 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -111.69 7.62 20.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.251 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -128.03 117.78 46.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.188 0.518 . . . . 0.0 110.135 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -136.9 134.19 36.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.933 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 70.9 mt -114.97 108.67 48.11 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.422 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.777 ' HG2' ' HG3' ' A' ' 14' ' ' GLU . 17.9 Cg_endo -64.52 146.51 89.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.293 1.995 . . . . 0.0 111.846 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.39 -34.14 68.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.806 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.96 64.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.876 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.777 ' HG3' ' HG2' ' A' ' 11' ' ' PRO . 39.5 mt-10 -85.3 -0.62 55.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.159 0.504 . . . . 0.0 111.575 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -109.65 115.64 50.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.525 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.0 tp10 -85.45 91.87 8.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.278 0.561 . . . . 0.0 110.216 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.522 HD23 HD21 ' A' ' 88' ' ' LEU . 89.7 mt -93.38 115.68 28.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.246 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.28 158.82 43.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.543 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.49 141.72 44.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.5 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 67.0 mt -93.78 121.1 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.217 0.532 . . . . 0.0 110.438 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.612 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.441 -0.886 0 CA-C-O 120.819 0.342 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' GLN . 12.5 t -88.39 30.78 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.306 0.574 . . . . 0.0 109.477 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -91.61 118.81 30.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.997 -172.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.581 ' SD ' ' HB3' ' A' ' 80' ' ' GLN . 87.9 mmm -107.74 147.44 30.78 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.168 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -109.58 116.93 32.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.087 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 2.7 mm? -112.21 119.95 40.11 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.616 -175.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 41.7 ttt180 -123.71 114.74 20.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.016 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.412 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 75.9 t80 -108.34 118.18 36.1 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -88.58 93.92 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.91 -31.64 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.789 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -66.8 -53.12 36.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.95 -178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.94 -31.17 45.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 p -58.29 154.94 12.45 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -76.94 34.93 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.485 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.685 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 73.6 mt -85.3 143.52 39.34 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.563 0.22 . . . . 0.0 110.53 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.16 146.61 87.13 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.343 2.029 . . . . 0.0 111.412 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.58 -31.77 71.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.992 2.461 . . . . 0.0 112.546 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -51.41 -46.88 63.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -74.96 -45.9 39.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.763 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.685 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 97.6 mttt -57.72 -39.88 78.3 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.405 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.24 -57.12 14.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.239 0.542 . . . . 0.0 110.924 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -63.58 -29.52 70.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.325 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.511 HD22 ' HA ' ' A' ' 95' ' ' ILE . 94.8 mt -68.8 -47.46 66.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.182 0.515 . . . . 0.0 110.294 173.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.08 -17.73 64.46 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.296 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.72 12.58 31.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.34 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 12.0 mt -82.75 169.52 16.07 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-O 120.945 0.402 . . . . 0.0 110.092 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.92 16.21 26.36 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.425 0.631 . . . . 0.0 109.75 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.73 133.14 34.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.197 -174.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -79.77 -14.89 58.39 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.887 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -72.3 -24.45 61.33 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.238 0.542 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.6 mt -81.56 110.17 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.738 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.0 p -85.51 162.94 18.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.407 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.4 m -69.31 -16.21 63.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.453 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.04 -9.04 58.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.591 177.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.52 27.1 33.6 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.086 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -123.37 136.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 12.5 tt -115.2 127.87 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 8.3 p -124.02 137.79 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -177.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.17 164.06 29.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.633 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -124.91 106.38 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.197 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.4 103.73 15.93 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.1 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 35' ' ' SER . 37.7 tt0 -140.14 20.18 2.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.448 0.642 . . . . 0.0 109.659 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -81.34 -47.49 13.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.385 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -86.32 176.32 7.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.673 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -70.71 -32.02 69.08 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -126.12 149.78 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.183 0.516 . . . . 0.0 112.346 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.581 ' HB3' ' SD ' ' A' ' 37' ' ' MET . 49.5 mt-30 -68.21 -39.22 82.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.75 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 42.5 tt0 -61.51 -40.58 95.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.576 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -72.42 -38.58 68.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -61.0 -35.83 77.88 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 120.863 0.363 . . . . 0.0 110.108 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.537 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 64.3 ttt180 -57.2 -58.68 7.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.411 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.99 88.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.604 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.77 -49.8 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.58 86.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.446 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.522 HD21 HD23 ' A' ' 17' ' ' LEU . 84.0 mt -64.49 -37.56 87.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 tt -66.41 -45.26 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -62.29 -39.4 92.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.328 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 95' ' ' ILE . 45.7 tp -67.95 -52.21 38.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.248 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 p -61.04 -39.21 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -61.17 -50.27 73.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.662 175.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.66 -43.77 76.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.885 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.511 ' HA ' HD22 ' A' ' 56' ' ' LEU . 75.7 mt -58.88 -48.28 86.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.058 0.456 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 44.7 t -74.29 -34.83 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.411 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.422 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 16.9 t-20 -61.54 -37.13 82.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.777 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.41 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.939 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.7 -11.72 52.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.829 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 78.3 mttt -87.39 -26.24 23.42 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.086 0.469 . . . . 0.0 110.041 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 90.7 mt . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.314 -174.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 ttm . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.916 0.389 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 7.5 mp -87.23 102.15 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.936 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -76.54 110.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.505 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.8 mt -101.95 -42.56 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.306 0.575 . . . . 0.0 109.798 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.425 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 43.2 m -149.56 -175.43 5.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.674 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.32 -36.7 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.751 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -112.53 9.93 19.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.423 . . . . 0.0 111.204 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 47.2 t -124.74 117.63 50.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 109.925 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -143.54 144.55 32.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.776 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.5 mt -105.41 110.86 64.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.134 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.32 139.29 49.34 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.911 2.407 . . . . 0.0 111.848 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.79 -40.6 72.92 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.182 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -22.91 65.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.961 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.2 -1.07 57.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 110.971 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -107.85 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.3 tp10 -88.9 107.97 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.5 mt -110.53 111.92 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.034 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -100.08 142.07 32.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.145 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.3 130.89 52.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.179 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.9 mt -106.9 128.82 61.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.142 0.496 . . . . 0.0 110.728 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.487 174.748 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.028 0.442 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 m -82.26 0.89 39.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.154 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 116.44 17.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.662 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.452 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 88.8 mmm -109.06 152.3 25.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.305 177.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.551 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 42.5 t-80 -120.02 127.52 52.68 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.481 HD22 ' HB1' ' A' ' 87' ' ' ALA . 9.0 mp -104.79 135.19 46.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.607 -174.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.536 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 8.2 tpt180 -136.07 101.41 4.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 171.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 87.0 t80 -129.32 104.66 7.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.939 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.6 103.59 7.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.53 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 63.7 mt -59.8 -33.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.119 -0.696 . . . . 0.0 109.119 174.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -55.01 -56.64 17.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.849 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.92 1.08 50.02 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -78.09 166.17 23.11 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.055 0.455 . . . . 0.0 111.595 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 m -76.53 9.88 2.45 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.247 -176.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.661 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 79.8 mt -63.92 142.62 98.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.69 177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 18.7 Cg_exo -67.06 136.98 42.83 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.36 2.04 . . . . 0.0 111.379 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.9 -29.18 52.39 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.108 2.538 . . . . 0.0 112.226 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.19 -46.67 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.576 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -77.05 -34.66 57.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.46 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.661 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.2 mttt -61.7 -44.81 96.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.142 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -38.38 79.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.372 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 96.2 mtt180 -63.55 -45.65 89.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 0.0 110.749 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.08 -46.59 83.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.1 -25.06 67.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.056 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.06 9.12 37.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.838 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.14 159.82 27.27 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.242 0.544 . . . . 0.0 110.311 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -96.64 16.51 18.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.696 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 9.7 t70 -87.49 160.94 18.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.528 -172.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.9 m -100.92 -15.9 17.38 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.62 -174.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 12.7 mmt180 -75.8 -38.4 58.26 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.67 109.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.655 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.6 161.0 27.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -73.99 -5.74 43.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -169.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -99.17 0.41 43.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.09 50.45 22.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.864 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.408 HG11 HG22 ' A' ' 71' ' ' VAL . 47.4 t -129.39 137.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.779 0.323 . . . . 0.0 110.189 -178.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.0 mm -104.14 108.34 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 34.9 t -126.74 112.53 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.474 HD13 ' C ' ' A' ' 71' ' ' VAL . 8.3 mp -135.09 173.92 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.386 0.612 . . . . 0.0 111.379 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -133.81 107.0 7.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.166 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -93.56 114.87 27.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.679 -171.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -149.08 94.7 2.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.063 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -140.37 -64.19 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.45 175.9 10.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.575 -173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -57.39 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.925 -177.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.4 p -106.89 159.26 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.232 0.539 . . . . 0.0 112.108 -170.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.42 -36.8 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.665 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.29 -50.98 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.05 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.77 -32.88 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.216 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -65.81 -35.54 80.98 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.839 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -60.92 -53.58 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.472 0.654 . . . . 0.0 109.934 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.6 90.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.996 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.54 -53.88 48.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.481 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -60.01 -46.66 88.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.795 -177.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.85 -39.31 93.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 111.371 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.85 -47.86 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 109.859 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.34 -28.3 66.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.235 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.91 -51.64 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.084 0.468 . . . . 0.0 110.218 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 p -64.96 -35.2 80.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.573 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.06 -54.82 40.35 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.083 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 tt -52.0 -47.51 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.908 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -63.23 -52.06 63.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.897 0.379 . . . . 0.0 111.846 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.426 HG13 ' NZ ' ' A' ' 100' ' ' LYS . 40.1 t -73.21 -34.04 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.457 0.646 . . . . 0.0 110.718 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -68.04 -42.17 80.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.502 ' HA ' ' HB3' ' A' ' 101' ' ' LEU . . . -64.43 -14.26 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.754 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -70.29 -19.27 63.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.426 ' NZ ' HG13 ' A' ' 96' ' ' VAL . 12.1 mptt -95.88 -13.35 24.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.283 0.563 . . . . 0.0 110.134 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.502 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . 19.7 tp . . . . . 0 N--CA 1.432 -1.335 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.81 -165.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.934 0.397 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 58.5 tp -83.17 95.86 8.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.177 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.0 109.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.033 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.73 -37.74 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.258 0.552 . . . . 0.0 110.101 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -151.79 171.4 17.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.544 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -64.21 -27.77 69.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 0.0 110.205 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -108.01 6.13 26.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.281 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -136.11 118.05 20.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.753 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -133.84 137.26 44.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 67.7 mt -114.61 114.98 44.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.32 145.6 78.24 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.897 2.398 . . . . 0.0 111.924 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -62.69 -29.13 70.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.23 0.538 . . . . 0.0 111.299 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -23.0 66.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.198 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -88.45 8.97 25.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.07 0.462 . . . . 0.0 110.986 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.74 114.92 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.525 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -102.09 118.41 36.83 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.217 0.532 . . . . 0.0 110.522 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.514 ' HG ' ' HE ' ' A' ' 84' ' ' ARG . 3.2 mm? -99.64 110.75 23.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.336 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.564 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -106.41 148.17 28.42 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.83 132.9 49.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.0 mt -93.5 105.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 109.884 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.667 -178.642 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.844 0.354 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.4 m -101.57 7.35 42.28 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.884 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.95 122.4 20.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.627 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.408 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . 93.4 mmm -106.73 148.94 27.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.733 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.564 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 32.1 t-80 -116.05 123.79 48.81 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.073 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.12 131.97 54.66 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.493 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -122.83 119.01 29.29 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.717 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.526 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.1 t80 -127.55 102.3 6.79 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.799 176.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.73 100.54 4.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.386 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.433 HD11 HD12 ' A' ' 70' ' ' ILE . 76.6 mt -58.34 -29.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.808 0.814 . . . . 0.0 109.341 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.73 -48.35 72.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.051 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.17 9.62 42.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -171.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 p -91.48 176.68 6.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.865 0.365 . . . . 0.0 111.294 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -83.86 19.2 1.77 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.642 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.82 126.04 91.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.33 151.58 66.88 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.921 2.414 . . . . 0.0 112.201 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.68 -45.32 24.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.757 2.972 . . . . 0.0 113.107 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -54.39 -52.19 62.47 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.041 0.448 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -67.8 -43.61 79.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.003 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 37.5 ttmt -57.57 -45.54 85.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.093 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.91 -50.05 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.219 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -58.76 -42.13 88.21 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.621 0.768 . . . . 0.0 111.611 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 96.4 mt -66.28 -46.36 77.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.199 0.523 . . . . 0.0 110.865 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.515 HD21 ' HA2' ' A' ' 68' ' ' GLY . 30.5 mt -67.89 -19.05 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.079 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.02 14.75 28.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.446 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.7 mt -81.72 174.97 10.85 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 121.192 0.52 . . . . 0.0 110.481 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.54 16.2 24.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.537 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.63 -175.87 5.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.974 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -127.22 -17.34 4.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.965 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -75.52 -24.68 56.82 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 175.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.8 mt -93.63 112.64 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.841 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.6 p -81.49 149.96 28.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.499 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -65.48 -19.4 65.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.32 -23.89 59.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.48 0.657 . . . . 0.0 110.135 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.515 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . 101.86 31.05 5.55 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.849 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.34 128.88 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.526 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 28.6 mm -87.87 115.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.773 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.43 ' C ' HD13 ' A' ' 72' ' ' LEU . 44.0 t -124.29 119.54 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.117 0.485 . . . . 0.0 110.924 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.43 HD13 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -138.17 172.7 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -132.25 109.6 10.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -84.41 112.79 20.68 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.535 -176.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -142.04 27.36 1.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.006 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.66 -36.68 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.618 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.37 163.65 13.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.643 -177.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -88.17 -32.21 18.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.33 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -85.54 126.85 34.18 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.263 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -58.24 -39.98 80.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.746 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.71 -48.77 58.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.21 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -68.88 -32.84 72.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.66 -36.79 84.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.321 0.581 . . . . 0.0 109.958 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.514 ' HE ' ' HG ' ' A' ' 17' ' ' LEU . 45.0 ttt180 -62.08 -50.59 71.36 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.68 174.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.43 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.571 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 26.1 t70 -58.63 -53.46 58.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.68 78.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.676 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 92.6 mt -66.35 -45.21 80.96 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.004 0.431 . . . . 0.0 110.91 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.42 -41.34 89.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 6.7 ttt180 -62.76 -41.23 99.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.908 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' HG13 ' A' ' 95' ' ' ILE . 52.5 tp -62.11 -52.31 64.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.832 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 p -62.38 -40.29 95.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.184 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.25 -49.53 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.063 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.63 -44.26 93.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.719 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -59.09 -48.02 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 50.8 t -71.73 -39.6 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -62.82 -41.43 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.442 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.53 73.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.004 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.04 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.82 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 56.7 mtpt -72.48 -21.03 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.37 0.605 . . . . 0.0 110.392 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.442 -0.843 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.167 -178.611 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.416 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 52.9 ttm . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.841 0.353 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.909 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 6.5 mp -82.47 89.01 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.058 0.456 . . . . 0.0 109.968 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.12 109.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.977 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.5 mt -100.76 -41.39 8.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.307 0.575 . . . . 0.0 109.67 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.707 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 18.6 m -127.73 163.05 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -61.07 -35.99 78.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.817 0.342 . . . . 0.0 110.783 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -108.12 10.74 27.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.105 0.478 . . . . 0.0 110.841 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.707 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 91.0 t -130.25 117.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 110.274 -178.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.416 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 13.5 m80 -133.8 148.9 51.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.985 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.909 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.1 mt -112.64 117.82 46.15 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.75 0.31 . . . . 0.0 110.606 173.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -73.05 142.81 35.1 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.896 2.397 . . . . 0.0 111.89 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.53 -39.21 72.97 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.94 67.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.236 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.17 -5.03 59.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.473 . . . . 0.0 111.161 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -104.96 114.04 43.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.399 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 5.5 tp10 -92.72 108.59 20.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.004 0.431 . . . . 0.0 110.679 -175.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.1 110.39 22.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.683 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -103.21 157.06 17.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.35 133.98 55.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.156 0.503 . . . . 0.0 111.364 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.413 HD13 ' HB2' ' A' ' 38' ' ' HIS . 19.3 mt -109.0 168.16 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 . . . . . 0 C--N 1.314 -0.941 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.568 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 120.409 0.147 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -53.35 -60.33 3.44 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.821 0.7 . . . . 0.0 110.494 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . . . 47.86 85.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 O-C-N 124.222 0.951 . . . . 0.0 113.455 173.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.676 ' HE2' ' HB3' ' A' ' 80' ' ' GLN . 25.8 mtt -100.04 153.48 19.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.58 0.705 . . . . 0.0 110.249 171.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.626 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 37.5 t-80 -114.48 122.37 46.39 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.738 178.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 mm? -96.83 126.52 42.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.696 -174.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.512 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 60.4 ttt180 -128.89 118.27 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.055 170.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.575 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.7 t80 -130.86 111.58 12.23 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.12 99.56 7.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.207 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.63 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 59.7 mt -61.16 -34.1 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.76 -49.77 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.346 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.32 1.83 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.2 p -77.63 161.16 28.02 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -73.51 2.76 7.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.437 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.541 ' HG ' HD22 ' A' ' 10' ' ' LEU . 78.3 mt -62.27 141.43 96.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 111.012 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 16.1 Cg_exo -69.05 153.75 71.66 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.668 2.245 . . . . 0.0 111.286 173.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.63 -27.67 52.24 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.101 2.534 . . . . 0.0 112.433 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.0 t80 -53.7 -52.44 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.143 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -74.28 -35.64 63.76 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.89 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.63 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.4 mttt -59.07 -42.76 91.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.09 -52.2 66.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.54 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.5 mmm180 -54.76 -39.83 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.582 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 93.2 mt -73.51 -46.32 48.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.335 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.3 tp -64.8 -41.95 95.39 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.13 21.43 1.67 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.199 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 8.2 mt -87.8 175.23 7.93 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.446 0.641 . . . . 0.0 111.255 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -111.2 15.49 21.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.311 1.053 . . . . 0.0 108.735 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.627 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 2.7 t70 -86.51 127.68 34.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.713 -171.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 p -83.66 4.56 28.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.908 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.627 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 4.9 ptp180 -89.83 -6.68 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.9 mt -109.65 130.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.066 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.8 p -90.89 150.64 21.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.574 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 m -64.29 -14.53 56.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.21 -12.72 45.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.507 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 38.69 5.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -124.22 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.732 0.301 . . . . 0.0 110.432 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.575 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.4 mm -95.36 119.19 43.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.797 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.575 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -136.09 118.06 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.458 0.647 . . . . 0.0 110.95 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.1 mp -137.41 176.46 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -124.53 114.76 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.107 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 37' ' ' MET . . . -93.75 102.18 14.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.557 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -136.55 24.18 3.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.815 0.817 . . . . 0.0 109.443 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.58 -57.31 4.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.697 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -83.07 162.37 21.38 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.763 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -71.54 -36.75 71.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.522 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 p -99.57 160.18 14.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.96 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.676 ' HB3' ' HE2' ' A' ' 37' ' ' MET . 92.8 mt-30 -74.99 -44.41 48.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.182 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.33 -35.53 81.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.4 -33.08 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 0.0 110.562 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -66.95 -44.73 79.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.256 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.547 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 29.0 ttt-85 -51.17 -53.02 38.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.456 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.98 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.974 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.608 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 17.3 t70 -66.19 -44.29 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.329 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.83 78.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 90.3 mt -64.62 -35.22 80.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.464 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -69.53 -39.59 77.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.447 178.674 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 23.6 mmt180 -66.26 -34.14 77.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.44 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.42 -50.83 66.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -66.62 -40.66 88.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 3.5 tm-20 -55.41 -48.27 74.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.002 175.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.471 HD11 HH11 ' A' ' 63' ' ' ARG . 62.5 tp -56.14 -44.74 79.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.622 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.02 -46.78 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.777 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.68 -37.38 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.166 0.508 . . . . 0.0 110.165 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 3.3 t-20 -61.41 -45.33 94.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.615 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -66.76 -24.24 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.7 24.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -94.8 -26.66 16.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 111.444 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.594 -177.234 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.647 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 48.2 tp -93.89 98.13 10.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.9 t -87.46 110.63 20.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.33 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -95.99 -38.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.444 0.64 . . . . 0.0 110.03 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -151.11 176.25 11.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.224 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.88 -42.27 93.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.859 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.24 10.16 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.185 0.517 . . . . 0.0 110.787 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.472 HG21 ' HH ' ' A' ' 52' ' ' TYR . 60.2 t -128.84 118.01 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.079 0.466 . . . . 0.0 110.727 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -133.13 152.56 51.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.508 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.647 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.2 mt -123.44 132.63 24.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 13.2 Cg_exo -69.6 135.44 30.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.749 2.299 . . . . 0.0 112.165 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.55 -39.66 77.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.101 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -26.33 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.869 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -87.33 6.73 32.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -116.52 118.87 60.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.553 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 13.4 tp10 -99.3 108.76 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.018 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.7 110.64 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.948 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.55 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -115.91 153.09 32.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.211 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.43 126.75 53.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.711 0.291 . . . . 0.0 110.666 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.85 119.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 110.574 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.121 -179.241 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.452 ' HA ' ' HB2' ' A' ' 80' ' ' GLN . 43.3 m -98.72 7.47 46.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.106 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.58 117.16 18.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.41 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mtp -99.12 147.78 24.73 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.486 0.66 . . . . 0.0 111.261 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.55 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 19.2 t-80 -107.69 126.83 53.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.782 174.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.6 tp -120.73 128.7 53.18 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.194 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 29.3 ttt180 -121.3 113.26 19.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.08 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -110.95 105.74 14.62 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' A' ' 46' ' ' SER . 8.5 t70 -74.19 120.25 19.5 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.26 -174.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 62.8 mt -80.24 -37.34 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.64 -57.66 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.252 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.05 13.94 15.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.215 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.558 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 83.0 p -68.37 146.11 53.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.651 0.262 . . . . 0.0 110.793 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 m -75.96 15.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.75 0.31 . . . . 0.0 111.628 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 87.5 mt -80.35 124.04 82.67 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.451 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 52' ' ' TYR . 73.1 Cg_exo -51.13 160.58 2.01 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.335 2.69 . . . . 0.0 112.87 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.89 -31.43 33.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.363 2.708 . . . . 0.0 112.601 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.76 -50.05 66.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 95.6 m-85 -69.98 -40.98 75.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.55 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.504 ' HE3' ' O ' ' A' ' 43' ' ' ILE . 42.3 mmtm -50.28 -53.14 30.59 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.328 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -55.82 -47.33 77.39 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 112.105 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 16.6 mmt-85 -60.49 -39.61 88.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.605 0.24 . . . . 0.0 111.633 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.8 -47.76 43.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.64 -27.96 69.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.078 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.29 16.05 25.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.07 157.58 18.28 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -100.42 16.0 25.99 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.029 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.24 144.36 27.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.436 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 m -76.58 -14.63 59.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.687 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -67.62 -26.33 66.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.114 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.4 mm -77.99 115.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.052 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.2 p -106.92 159.67 16.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.208 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -70.55 -25.86 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.508 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -70.04 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 109.647 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 39.39 5.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.597 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.459 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 59.1 t -141.06 137.74 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 40.9 mm -84.26 109.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.2 t -117.54 126.49 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.385 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.22 163.08 34.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 111.151 177.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -136.98 106.47 6.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.157 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.99 114.31 27.13 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -168.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -121.16 30.29 6.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 166.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -57.18 -40.8 78.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.26 -1.337 . . . . 0.0 111.045 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.415 ' HD1' ' H ' ' A' ' 79' ' ' THR . 3.8 t80 -102.1 160.99 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.8 -41.61 95.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.75 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.415 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 3.3 p -101.93 145.37 29.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.692 -176.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 35' ' ' SER . 8.3 tt0 -69.46 -36.87 77.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.086 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 1.4 mp0 -58.59 -37.83 76.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.658 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -75.1 -38.92 61.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.243 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.91 -39.74 75.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.939 0.4 . . . . 0.0 110.346 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -55.9 -57.32 12.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.215 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.66 -34.73 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.434 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.02 -53.1 59.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.792 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.76 92.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.617 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.94 -35.27 79.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -53.14 46.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.849 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -67.5 -28.49 67.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.726 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.56 -50.85 70.98 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -65.34 -36.57 84.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.295 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.02 -47.82 81.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.877 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.72 -40.58 75.94 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.311 0.382 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.61 -48.9 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.482 HG11 ' HE2' ' A' ' 100' ' ' LYS . 36.5 t -76.46 -34.17 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.255 0.55 . . . . 0.0 110.105 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -53.39 -54.82 31.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.374 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.35 64.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.722 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.472 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -72.44 -23.8 61.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.339 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.482 ' HE2' HG11 ' A' ' 96' ' ' VAL . 66.1 mttm -85.69 -26.52 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 111.295 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.934 178.269 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.401 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 56.4 ttp . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.083 0.468 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.8 tp -88.15 99.97 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.632 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.28 109.89 18.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.978 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -79.9 -43.08 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.633 0.73 . . . . 0.0 109.938 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -151.5 172.47 15.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.731 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -45.69 -46.69 15.0 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -176.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -106.25 13.79 28.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.62 117.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.401 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 22.8 m80 -131.4 135.77 47.46 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.899 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.0 mt -113.07 104.57 55.82 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.77 145.52 89.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.871 2.381 . . . . 0.0 112.149 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.91 -40.82 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.308 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.2 -29.84 70.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.824 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -89.44 2.25 54.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 111.587 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.404 HG21 ' HG ' ' A' ' 17' ' ' LEU . 58.5 mt -100.18 102.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.485 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.5 tp10 -81.99 104.24 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 110.301 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.435 HD23 ' HG ' ' A' ' 39' ' ' LEU . 90.4 mt -110.38 134.61 52.14 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.629 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.92 156.17 47.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.54 127.76 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -89.11 112.43 24.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.981 -174.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.612 0.72 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.546 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 44.6 m -134.69 7.44 3.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.863 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.99 102.65 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.32 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.4 mmm -96.62 141.44 29.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.788 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -119.21 126.93 52.71 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.682 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HG ' HD23 ' A' ' 17' ' ' LEU . 8.3 mp -115.36 136.88 52.63 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.79 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 26.7 ttt180 -126.32 124.54 40.51 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.242 173.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -121.0 100.46 7.09 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.868 0.365 . . . . 0.0 110.064 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.89 92.72 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.194 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 56' ' ' LEU . 64.6 mt -57.43 -37.12 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.634 . . . . 0.0 110.261 178.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.89 -44.59 72.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.3 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.68 -22.81 25.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.4 p -61.81 161.89 9.61 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 p -88.28 23.19 2.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.923 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.55 148.13 98.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.137 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.4 141.27 95.19 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.604 2.203 . . . . 0.0 111.492 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.538 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 9.5 Cg_endo -50.94 -38.79 59.2 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.432 2.755 . . . . 0.0 112.895 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -55.37 -49.15 73.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.204 0.526 . . . . 0.0 111.185 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -70.83 -36.67 73.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.941 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 94.0 mttt -58.87 -41.64 87.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.965 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 48.1 mt-10 -59.74 -46.03 90.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 111.002 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -62.35 -36.13 81.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.402 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 95' ' ' ILE . 94.4 mt -73.3 -46.16 51.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.154 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.1 -39.13 93.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.8 45.3 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.466 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -84.64 -173.17 4.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.066 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -114.47 16.29 17.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.14 173.23 9.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.76 -176.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -119.76 -16.88 8.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.694 -175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 63' ' ' ARG . 55.9 mtt-85 -94.07 -14.99 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.93 114.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.183 170.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.62 162.29 24.3 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -176.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -86.72 10.42 15.85 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -166.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.75 0.11 23.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.541 0.686 . . . . 0.0 109.374 173.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.12 53.67 2.0 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.407 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.34 135.27 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 110.778 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.96 133.09 41.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.386 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.2 129.87 57.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.73 -177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -141.58 164.44 30.22 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -142.57 106.38 4.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.726 0.774 . . . . 0.0 109.956 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.78 102.0 14.7 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.495 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -132.77 46.75 2.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.141 177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.65 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -108.35 -43.06 4.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.301 -173.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.35 168.84 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.99 -175.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 78' ' ' ARG . 40.1 ttt-85 -68.89 -42.91 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -173.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.8 p -108.93 157.88 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.81 0.338 . . . . 0.0 111.455 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.546 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.0 mt-30 -63.84 -43.37 96.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.424 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -62.36 -37.4 85.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.555 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -70.61 -39.7 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.894 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -66.75 -37.32 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.197 0.523 . . . . 0.0 109.828 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HE ' HD12 ' A' ' 17' ' ' LEU . 36.9 ttt180 -62.88 -48.8 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.194 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.53 89.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.065 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.47 -52.74 63.58 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.18 0.514 . . . . 0.0 110.874 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.26 91.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.45 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.97 -42.26 94.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.865 0.365 . . . . 0.0 111.103 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.23 -51.56 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.296 0.57 . . . . 0.0 109.536 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -62.66 -42.78 99.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.16 -48.17 81.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.298 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -63.23 -39.4 94.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.765 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.09 -43.74 81.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.129 0.49 . . . . 0.0 109.956 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.45 -44.1 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.459 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.523 ' HA ' HD23 ' A' ' 56' ' ' LEU . 70.7 mt -57.96 -49.27 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.108 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.44 -41.46 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.111 0.481 . . . . 0.0 110.417 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.443 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.2 t-20 -63.43 -34.58 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.791 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.17 70.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.72 62.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.32 -21.25 18.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.538 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 78.1 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.959 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.65 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -95.59 100.83 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.748 -176.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.16 110.48 20.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.177 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.1 mt -94.34 -65.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.059 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -127.92 -170.71 2.29 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -66.8 -45.39 78.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -96.77 2.38 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.174 0.512 . . . . 0.0 111.459 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -125.19 116.89 48.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.071 0.462 . . . . 0.0 110.684 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -135.48 141.39 45.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.65 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 69.7 mt -106.9 101.92 39.81 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-O 120.856 0.36 . . . . 0.0 110.09 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.92 147.31 95.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.445 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.75 -33.69 64.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -25.18 67.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.494 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.39 -4.51 58.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.224 0.535 . . . . 0.0 110.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.513 HG23 ' HG ' ' A' ' 17' ' ' LEU . 45.2 mm -115.13 121.71 67.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.494 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 31.5 tt0 -101.7 95.35 6.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 0.0 109.934 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' A' ' 15' ' ' ILE . 94.9 mt -100.31 109.36 21.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.69 126.96 55.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.907 0.384 . . . . 0.0 111.276 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.98 120.0 32.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.302 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mt -117.54 160.17 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 . . . . . 0 C--N 1.315 -0.913 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.043 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.441 -0.906 0 CA-C-O 120.762 0.315 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -90.57 29.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.007 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.2 114.72 25.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.191 0.52 . . . . 0.0 111.396 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.721 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 70.4 mtp -114.57 154.48 28.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.111 0.481 . . . . 0.0 111.003 174.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -123.9 131.49 53.59 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.3 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.7 mp -113.57 139.95 48.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.268 177.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 38.9 ttt180 -144.54 107.51 4.5 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.522 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.5 t80 -123.34 112.98 18.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.091 0.472 . . . . 0.0 111.101 -176.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 46' ' ' SER . 1.2 m-20 -75.03 97.77 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.472 176.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.21 -34.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -43.67 92.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.485 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.68 15.99 25.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 96.3 p -72.47 177.05 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 111.367 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -85.84 3.57 41.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.518 HD11 HD22 ' A' ' 10' ' ' LEU . 8.9 mp -68.43 136.97 90.96 Favored Pre-proline 0 CA--C 1.521 -0.172 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.586 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.75 145.64 89.2 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.602 2.201 . . . . 0.0 111.311 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.99 -37.56 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.684 2.923 . . . . 0.0 113.147 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.517 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 88.6 t80 -57.82 -54.08 50.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 39.6 ttmt -59.54 -46.5 88.68 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.966 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.49 -45.62 91.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.623 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 51' ' ' PHE . 57.4 mtp85 -58.74 -43.79 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.17 -45.42 85.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 0.0 111.085 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 73.4 mt -60.76 -29.04 69.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.96 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.44 31.58 5.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.816 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 59' ' ' LEU . 8.0 mt -87.59 170.05 11.63 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.023 0.44 . . . . 0.0 111.056 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.92 16.06 25.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.647 0.737 . . . . 0.0 109.128 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.8 165.47 22.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.995 -174.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -105.9 -12.27 15.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.132 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -39.57 15.22 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.0 mt -84.38 118.13 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.088 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.1 p -87.53 156.22 19.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.447 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 m -69.6 -7.61 40.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.79 -18.77 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.318 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 57' ' ' LEU . . . 105.0 13.76 24.46 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.594 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.47 135.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.564 HG12 HD11 ' A' ' 72' ' ' LEU . 12.0 tt -99.72 120.6 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.104 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.564 HD11 HG12 ' A' ' 70' ' ' ILE . 4.0 mp -136.99 160.46 38.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.238 0.542 . . . . 0.0 110.251 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -130.35 104.85 7.51 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.721 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -87.86 101.8 14.08 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.404 -174.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.1 87.23 1.26 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.195 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -139.5 -42.42 0.45 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.85 178.15 8.31 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.256 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -70.55 -43.24 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.808 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.4 p -112.7 161.14 17.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.842 0.353 . . . . 0.0 111.5 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -67.92 -35.49 78.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.552 0.692 . . . . 0.0 109.268 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.47 -37.68 78.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.887 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -75.5 -40.43 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 74' ' ' ALA . 91.3 m-20 -63.39 -34.42 77.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.241 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.461 ' HG3' ' HE1' ' A' ' 37' ' ' MET . 21.4 ttt180 -55.31 -48.69 73.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.744 175.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.43 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.516 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.66 -49.43 76.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 0.0 110.354 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.71 99.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.89 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.8 -37.71 85.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.95 -43.12 83.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.3 0.572 . . . . 0.0 109.753 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 90' ' ' ARG . 3.8 ttt180 -61.17 -41.42 96.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.793 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.3 tp -58.63 -51.41 70.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.628 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 m -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.893 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -59.21 -41.07 87.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.505 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.29 -47.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -47.81 85.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.29 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -66.71 -38.3 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.329 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.61 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.712 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.83 71.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 100' ' ' LYS . 0.7 OUTLIER -96.01 -20.41 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.266 -179.069 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.549 178.049 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.894 0.378 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.75 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 3.8 mm? -97.17 103.3 15.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.208 0.528 . . . . 0.0 110.168 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -80.67 110.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.982 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -93.73 -41.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.283 0.563 . . . . 0.0 110.032 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 t -148.52 -177.2 5.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.154 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.08 -48.29 80.59 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.153 0.283 . . . . 0.0 111.489 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -111.89 19.26 18.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.37 0.605 . . . . 0.0 110.581 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.49 118.49 53.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -139.06 143.53 38.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.583 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.75 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 76.4 mt -109.45 103.62 53.24 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.78 140.11 78.45 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.678 2.252 . . . . 0.0 111.486 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.12 -39.04 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.16 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.82 -27.42 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.632 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -84.63 0.12 51.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -113.66 118.37 58.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.425 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.6 tp10 -73.86 103.74 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.958 0.409 . . . . 0.0 110.334 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.2 111.27 23.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.109 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.63 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.2 m -119.86 158.77 25.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.214 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.01 134.02 52.58 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' A' ' 38' ' ' HIS . 53.9 mt -106.13 99.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.875 0.369 . . . . 0.0 110.055 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.594 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 12.2 p -123.55 10.19 9.09 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.822 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -84.51 116.74 23.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.017 -172.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.537 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . 2.2 mmt -100.66 145.6 28.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.04 172.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.63 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 34.3 t-80 -115.56 123.36 48.28 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.94 124.44 47.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.416 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.549 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 19.8 ttt180 -118.92 113.3 20.81 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 171.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -113.46 104.89 12.73 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.086 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.82 100.13 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.154 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.21 -38.17 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.252 0.548 . . . . 0.0 109.911 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -56.42 -52.07 66.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.594 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.69 14.46 31.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -170.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 p -96.39 161.37 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.152 -0.343 . . . . 0.0 110.754 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -78.73 41.51 0.42 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.052 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.527 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 58.6 mt -86.48 147.96 45.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.25 141.95 48.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.476 2.118 . . . . 0.0 111.477 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.38 -38.63 63.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.407 2.738 . . . . 0.0 113.39 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -53.6 -50.54 65.42 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.262 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -72.36 -31.82 65.94 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.274 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 93.0 mttt -63.99 -40.09 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.31 -46.91 88.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.664 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 13.9 mmt180 -64.91 -34.79 79.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -177.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.498 HD21 ' HA ' ' A' ' 95' ' ' ILE . 93.1 mt -66.75 -45.09 79.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.7 mt -70.13 -17.64 63.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.598 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.92 5.61 49.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.432 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.39 153.17 23.59 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 110.086 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -96.77 16.11 20.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.631 0.729 . . . . 0.0 109.767 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -83.78 133.73 34.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.51 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.2 t -84.31 -3.6 58.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -86.44 -15.15 41.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.449 HG12 HD13 ' A' ' 70' ' ' ILE . 64.4 mt -81.03 108.24 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.637 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -76.16 156.87 33.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.269 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 m -61.88 -25.99 67.88 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -73.41 -14.96 61.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.44 42.32 7.95 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.467 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.1 t -124.0 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.816 0.341 . . . . 0.0 110.49 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.537 HG23 HD12 ' A' ' 72' ' ' LEU . 48.4 mm -102.51 115.49 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.017 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.21 126.13 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.08 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.537 HD12 HG23 ' A' ' 70' ' ' ILE . 3.0 mp -125.47 157.15 37.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.543 0.687 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.82 104.84 7.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.472 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -88.15 100.02 12.64 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.898 -178.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -146.66 76.21 1.42 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -140.92 -37.32 0.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.77 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.4 164.64 19.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.86 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -68.38 -40.08 81.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.726 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.6 p -113.57 151.74 31.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 111.522 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 50.6 mt-30 -61.23 -36.67 80.58 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.941 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.32 -50.77 72.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.272 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -66.53 -37.08 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.933 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.1 -40.31 97.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.274 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -62.49 -47.74 82.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.116 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.56 93.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.371 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 31.7 t70 -64.75 -49.51 70.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.371 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.01 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.784 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.66 -38.05 89.65 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.857 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.3 tp -69.77 -39.71 76.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.269 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 28.0 mtp180 -67.58 -39.16 84.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.083 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.76 -51.38 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.912 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 p -66.51 -42.9 86.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.442 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.29 -42.6 98.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.161 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.53 -42.25 82.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.728 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.498 ' HA ' HD21 ' A' ' 56' ' ' LEU . 67.0 mt -60.74 -43.8 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.01 -34.64 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.309 0.576 . . . . 0.0 110.195 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.428 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 2.4 t-20 -64.4 -41.95 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.48 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -35.27 68.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.004 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -70.61 -18.62 62.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.917 0.389 . . . . 0.0 111.038 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.684 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -95.38 -16.16 22.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 110.79 -178.824 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 87.1 mt . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.03 -173.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 59.8 tp -86.39 96.41 10.0 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.64 110.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.752 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.0 mt -99.03 -41.63 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.382 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -153.26 -175.22 5.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.883 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.93 12.39 27.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.398 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.73 117.19 49.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.524 . . . . 0.0 110.357 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -141.09 138.91 33.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.429 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 66.1 mt -118.16 123.21 29.63 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.583 0.23 . . . . 0.0 110.742 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 32.3 Cg_exo -61.96 141.11 88.21 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.523 2.149 . . . . 0.0 111.362 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -55.96 -39.98 72.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.936 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -20.32 62.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.975 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.472 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 28.4 mt-10 -84.13 2.15 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 0.0 111.01 -177.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -118.19 114.15 44.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.452 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 29.4 tt0 -79.97 106.73 12.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.885 0.374 . . . . 0.0 110.034 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -95.09 108.56 20.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.45 167.53 16.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.28 146.61 46.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.545 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.5 mt -104.88 112.02 36.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.979 -176.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 120.634 0.254 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 p -84.82 -11.35 55.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.18 107.35 1.03 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.937 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.5 mmm -96.23 147.41 23.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.057 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -109.15 122.82 48.12 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.542 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 3.5 mm? -111.69 130.12 55.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.558 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.584 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 42.8 ttt180 -137.92 106.91 5.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.01 124.28 50.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -90.48 107.35 19.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.099 0.476 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 56' ' ' LEU . 35.8 mt -78.04 -24.22 13.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.417 0.627 . . . . 0.0 110.037 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.24 -52.1 56.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.905 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.6 12.73 18.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 p -74.92 172.55 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.864 0.302 . . . . 0.0 111.186 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.93 16.19 1.25 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.89 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.536 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 52.1 mt -76.12 135.14 70.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.767 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.4 147.45 94.01 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.72 2.28 . . . . 0.0 111.566 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.0 -33.14 33.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.485 2.79 . . . . 0.0 113.041 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.578 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 78.6 t80 -55.14 -53.19 59.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.767 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -67.78 -36.33 80.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.952 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 96.1 mttt -58.86 -51.64 69.14 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.948 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.35 -41.51 69.19 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 123.315 0.385 . . . . 0.0 111.934 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 7.0 mmm180 -58.03 -51.26 70.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 111.065 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HB3' HD12 ' A' ' 43' ' ' ILE . 87.9 mt -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.836 -177.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.67 -22.5 65.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.072 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.02 14.06 31.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HG ' ' H ' ' A' ' 61' ' ' ASP . 22.4 tp -86.92 144.71 26.84 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.78 15.22 13.34 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.622 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.498 ' HB3' HG12 ' A' ' 64' ' ' ILE . 10.8 t70 -70.17 132.16 45.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.414 -176.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 m -62.93 -19.21 64.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.424 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -83.07 -8.54 59.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.85 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.498 HG12 ' HB3' ' A' ' 61' ' ' ASP . 49.3 mm -93.54 120.67 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.929 177.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -94.08 160.5 14.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.637 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -70.03 -14.64 62.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.489 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.37 -14.05 59.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.054 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.85 28.49 15.63 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.07 136.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 tt -107.91 127.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.03 0.443 . . . . 0.0 109.809 174.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.81 133.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.489 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.8 mp -132.81 159.45 39.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 110.411 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -131.94 108.48 9.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.009 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.36 101.85 13.6 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.823 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -129.96 26.2 5.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.606 0.717 . . . . 0.0 109.428 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.36 -51.66 34.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.088 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -92.99 165.02 13.06 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.354 0.597 . . . . 0.0 112.578 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.467 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.3 p -105.34 163.27 12.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.565 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -75.57 -33.15 60.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.377 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.71 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.366 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.39 -39.5 85.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -36.42 83.16 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.713 0.292 . . . . 0.0 110.667 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -65.87 -52.53 49.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.026 0.441 . . . . 0.0 110.218 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.44 87.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.591 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.34 -51.49 51.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.91 87.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.701 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.32 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.684 0.278 . . . . 0.0 111.187 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.71 -46.62 52.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -64.33 -35.03 79.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.392 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.15 -51.1 61.08 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.126 0.489 . . . . 0.0 110.922 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 p -62.62 -41.93 99.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.2 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.71 -40.93 97.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.195 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.03 -38.26 70.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 111.296 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.12 -44.05 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.745 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.96 -33.28 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.408 0.623 . . . . 0.0 110.113 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.69 -35.74 73.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.511 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.46 -23.73 67.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.07 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.49 -9.45 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -85.67 -20.41 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.339 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.396 -175.895 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.042 0.449 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.6 tp -96.95 99.81 11.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.296 0.57 . . . . 0.0 109.856 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -80.39 110.69 16.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.238 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.0 mt -88.1 -41.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.126 0.489 . . . . 0.0 110.043 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -154.82 175.5 13.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -61.33 -32.85 72.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -103.89 9.74 36.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.689 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -136.55 118.19 19.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.872 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -132.2 136.02 46.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.933 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 80.4 mt -108.45 105.51 56.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.305 175.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.17 141.8 77.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.991 2.461 . . . . 0.0 112.331 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.85 -41.62 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.641 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.73 67.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.598 -176.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -89.45 3.72 51.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.242 0.544 . . . . 0.0 111.106 -175.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.0 mt -119.47 121.8 67.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.573 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 14.8 tp10 -99.43 109.05 21.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.878 0.371 . . . . 0.0 110.404 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.41 123.87 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.611 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -126.26 157.78 37.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.384 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.97 135.1 54.29 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 34' ' ' SER . 60.6 mt -98.19 103.42 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.503 174.652 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 20' ' ' ILE . 6.7 m . . . . . 0 N--CA 1.447 -0.601 0 CA-C-O 120.744 0.307 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.48 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 17.9 p -103.83 12.3 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.709 -176.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 126.76 35.76 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.153 0.501 . . . . 0.0 110.421 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.7 mtp -106.99 152.8 23.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.756 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.611 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 46.7 t-80 -120.92 122.91 41.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.81 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.56 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . 8.9 mp -114.06 133.08 55.76 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.569 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.1 ttt180 -122.34 109.63 14.67 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.394 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 71.1 t80 -109.37 109.21 20.02 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.02 87.33 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.878 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.53 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 56.9 mt -56.37 -40.44 66.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.264 0.554 . . . . 0.0 110.197 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -56.49 -52.6 64.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.06 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.34 -22.2 35.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.409 -172.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -59.5 160.26 7.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.221 0.534 . . . . 0.0 112.001 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 t -81.29 14.3 2.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.597 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.567 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 60.9 mt -62.89 141.73 97.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.138 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.25 150.41 88.66 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.677 2.251 . . . . 0.0 111.88 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.8 -39.33 77.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.387 2.725 . . . . 0.0 113.006 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.18 -46.52 68.99 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.26 0.552 . . . . 0.0 111.119 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.08 -44.41 65.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.577 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 97.9 mttt -59.89 -53.33 59.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.631 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -55.5 -44.16 76.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -71.43 -31.65 67.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.465 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -73.31 -45.32 56.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.581 . . . . 0.0 110.667 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 89.8 mt -59.36 -40.11 85.41 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.19 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.22 31.16 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.092 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.9 tp -83.73 161.73 20.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -84.88 4.9 31.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.624 0.726 . . . . 0.0 110.242 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.44 ' OD1' ' HB2' ' A' ' 63' ' ' ARG . 7.3 t70 -84.92 117.97 24.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.229 -175.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m -76.31 0.29 19.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.173 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.44 ' HB2' ' OD1' ' A' ' 61' ' ' ASP . 17.0 mtm180 -92.57 -6.17 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.0 109.931 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.8 mt -98.8 115.11 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.184 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 p -76.9 154.43 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.267 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -74.19 0.26 14.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.426 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.26 -5.53 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.465 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.18 34.88 7.32 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.897 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.16 131.72 65.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.51 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 13.3 tt -104.24 129.19 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 110.052 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.6 t -118.94 132.12 69.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.56 ' HG ' ' HB2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -141.81 159.08 42.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.43 0.633 . . . . 0.0 111.383 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -127.48 105.57 8.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.54 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.67 102.67 15.42 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.009 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 25.52 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.689 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -72.69 -43.68 62.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.875 -176.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -92.41 174.34 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 tpt85 -74.83 -32.55 61.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 p -124.78 164.0 20.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.48 ' HG3' ' HA ' ' A' ' 35' ' ' SER . 50.1 mt-30 -63.78 -56.4 15.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.452 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.48 -33.85 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.651 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -76.19 -40.06 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.719 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -62.54 -29.41 70.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.445 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 84' ' ' ARG . 29.3 ttt180 -57.68 -55.11 39.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.407 176.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.61 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.954 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.94 -53.33 52.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.69 85.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.468 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -36.71 82.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -70.69 -44.16 67.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.537 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.9 -51.63 38.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 p -60.18 -44.28 95.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.98 -39.83 87.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.103 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.31 -46.47 88.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.74 -46.31 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 111.043 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 92' ' ' SER . 23.3 t -73.05 -36.04 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -69.02 -33.52 73.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.167 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.48 -23.62 66.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.22 -24.43 64.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.89 -11.57 58.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.196 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 N--CA 1.447 -0.609 0 CA-C-O 121.151 0.501 . . . . 0.0 111.144 -175.726 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 50.9 ttm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 55.3 tp -84.54 99.5 10.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -85.34 109.77 18.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.061 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -90.96 -41.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.038 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -153.85 -175.48 5.39 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -66.87 -42.96 84.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.17 8.42 43.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.95 118.24 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 110.506 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.473 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 31.6 m80 -135.59 139.72 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.621 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.6 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.8 mt -117.12 116.41 37.68 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.72 0.295 . . . . 0.0 110.964 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 22.3 Cg_exo -65.33 145.0 82.43 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 123.05 2.5 . . . . 0.0 112.206 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.32 -38.27 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.187 0.518 . . . . 0.0 110.931 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -27.78 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.779 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -83.45 -2.47 55.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.365 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -117.19 115.25 48.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.952 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 20.6 tt0 -83.34 115.73 22.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.83 0.348 . . . . 0.0 110.953 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.23 108.35 18.93 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.47 ' OG1' ' HB3' ' A' ' 38' ' ' HIS . 7.3 p -126.77 156.58 40.99 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.362 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.49 135.71 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.233 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 38' ' ' HIS . 63.2 mt -106.74 112.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.383 . . . . 0.0 110.733 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.248 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.444 -0.743 0 CA-C-O 120.655 0.264 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.474 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 13.3 p -81.2 20.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.946 0.403 . . . . 0.0 111.635 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.47 110.53 18.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.53 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 84.6 mmm -97.13 150.61 20.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.054 175.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.524 ' HB2' HD13 ' A' ' 20' ' ' ILE . 57.8 t-80 -122.31 135.78 54.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.687 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.2 mp -123.63 143.66 50.1 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.53 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 7.7 tpt180 -135.86 127.82 29.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.638 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -144.34 102.01 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.317 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.82 103.26 5.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.54 HD12 HD11 ' A' ' 56' ' ' LEU . 64.4 mt -58.98 -45.19 92.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.153 0.501 . . . . 0.0 110.159 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -57.86 -45.12 86.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.31 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.59 11.43 39.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -170.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 p -91.41 175.98 6.73 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.022 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m -85.97 16.33 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.982 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.585 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 67.4 mt -68.62 143.55 95.24 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.715 0.293 . . . . 0.0 111.049 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.87 147.94 91.99 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.794 2.329 . . . . 0.0 112.02 175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.19 -39.67 70.91 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -58.6 -45.53 88.94 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.006 0.431 . . . . 0.0 110.883 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.44 -45.17 95.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.462 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 98.9 mttt -64.41 -36.89 85.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.166 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.69 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 111.278 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -58.35 -34.8 71.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.54 HD11 HD12 ' A' ' 43' ' ' ILE . 77.4 mt -73.07 -46.35 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.407 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.8 mt -63.94 -21.82 66.65 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.797 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.38 30.49 7.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.93 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -90.37 155.5 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.793 178.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -84.93 13.47 5.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.946 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.99 140.76 30.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.487 -175.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.4 m -100.07 -0.98 38.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.41 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -79.77 -36.88 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.48 HG12 HD11 ' A' ' 70' ' ' ILE . 79.8 mt -64.03 112.99 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.279 172.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.3 p -76.41 163.34 27.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.055 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.0 m -62.39 -25.94 68.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.82 -15.54 59.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.399 0.619 . . . . 0.0 110.695 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.36 46.97 4.8 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -175.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.74 139.52 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.686 0.279 . . . . 0.0 111.427 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.48 HD11 HG12 ' A' ' 64' ' ' ILE . 35.2 mm -105.65 127.96 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.982 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.44 132.45 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.687 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.7 mp -130.74 161.26 32.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.202 0.525 . . . . 0.0 111.13 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 37' ' ' MET . 18.2 ptpt -153.29 115.1 4.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.428 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.38 121.35 44.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.178 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.04 19.71 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.956 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -68.8 -58.89 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.905 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.94 170.04 16.77 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -76.47 -15.27 59.95 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.212 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.7 p -118.1 149.35 41.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.936 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 91.9 mt-30 -70.63 -31.87 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.3 -52.03 65.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.58 -34.94 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.03 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.98 -37.85 87.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.15 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 40.2 ttt180 -65.31 -52.14 56.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.383 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.41 90.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.485 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.12 -48.19 79.58 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.68 80.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.865 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.9 mt -63.67 -44.79 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.777 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 2.2 tm? -67.64 -43.98 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.418 0.627 . . . . 0.0 109.312 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -59.91 -40.73 89.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.049 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 95' ' ' ILE . 37.0 tp -66.97 -51.55 53.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.43 ' HB3' HD21 ' A' ' 2' ' ' LEU . 10.8 p -61.79 -40.79 96.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.906 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -58.43 -45.8 87.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.878 175.018 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.51 -40.09 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.864 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 91' ' ' LEU . 85.1 mt -58.78 -45.3 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.724 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.74 -44.67 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.18 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.26 -33.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.791 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.43 60.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -95.58 -25.73 16.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.975 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.91 -173.598 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . 0.431 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 48.2 ttm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.735 0.303 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp -118.45 116.17 26.14 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.656 0.741 . . . . 0.0 109.457 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.93 111.15 18.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.1 mt -85.95 -45.24 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.376 0.607 . . . . 0.0 109.542 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -146.44 -178.46 6.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.801 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -69.93 -33.13 71.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.125 0.488 . . . . 0.0 110.867 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -99.9 0.34 41.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.163 0.506 . . . . 0.0 110.802 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -129.06 117.84 45.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.289 0.566 . . . . 0.0 110.971 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.431 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 9.4 m80 -134.21 123.45 24.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.4 mt -102.77 134.31 19.94 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.65 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 5.3 Cg_exo -80.46 139.22 12.75 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.388 2.726 . . . . 0.0 111.866 174.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.64 -39.79 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.657 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -28.35 62.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -86.24 0.77 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.275 0.56 . . . . 0.0 111.024 -174.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -118.94 108.66 24.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.777 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.4 tp10 -82.02 105.32 13.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.18 0.514 . . . . 0.0 110.787 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -96.66 109.1 21.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.529 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.595 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m -116.63 153.84 31.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.23 125.89 51.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.21 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -90.2 113.14 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.367 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.729 178.861 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.444 -0.757 0 CA-C-O 121.172 0.511 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.481 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.6 p -83.98 5.56 25.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 106.31 1.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.484 0.659 . . . . 0.0 111.619 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 86.0 mmm -97.19 143.5 27.93 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.24 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.595 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 29.3 t-80 -108.35 119.32 39.16 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.903 175.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 2.7 mm? -107.77 121.83 45.52 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 -176.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 16.5 ttt180 -121.19 103.52 9.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.644 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.496 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 83.6 t80 -97.07 117.6 31.61 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.91 127.24 33.33 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.8 mt -103.87 -13.6 8.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-O 121.284 0.564 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.437 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.1 t-20 -88.28 -55.04 3.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.58 20.62 11.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.973 -173.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -91.4 160.39 15.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.933 0.397 . . . . 0.0 111.41 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -80.06 5.99 12.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.669 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 91.5 mt -58.66 131.33 85.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.999 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 52' ' ' TYR . 10.2 Cg_endo -54.4 150.98 31.67 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.064 2.51 . . . . 0.0 112.312 176.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.25 -36.69 47.55 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.434 2.756 . . . . 0.0 112.973 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.472 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.2 t80 -57.31 -48.88 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.514 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 25.8 m-85 -70.74 -37.48 73.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.011 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 13.2 mmtm -50.91 -56.3 13.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 110.771 174.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.3 -47.39 86.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.739 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 27.7 mmm180 -61.51 -40.88 96.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.793 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.96 -44.71 79.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.594 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -65.13 -27.85 69.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.47 19.56 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.2 tp -78.42 169.74 17.76 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 120.962 0.411 . . . . 0.0 110.206 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -93.13 10.46 31.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.373 0.606 . . . . 0.0 110.71 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -93.33 118.78 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.8 m -76.22 -7.53 55.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.197 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -79.79 -15.93 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.255 0.55 . . . . 0.0 109.518 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.65 116.72 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.095 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 153.11 17.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.2 m -68.2 -11.19 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.02 -14.4 61.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.611 0.72 . . . . 0.0 109.917 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' A' ' 44' ' ' ASN . . . 92.76 32.32 8.11 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.309 178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.7 t -134.57 134.11 54.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.674 0.273 . . . . 0.0 110.542 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.496 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 10.5 tt -115.22 124.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.8 t -108.61 132.65 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 4.2 mp -133.76 161.78 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.97 0.414 . . . . 0.0 110.404 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -127.6 114.18 17.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.366 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.73 ' HB2' ' HB2' ' A' ' 37' ' ' MET . . . -96.9 101.44 13.02 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.497 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -138.82 13.28 2.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.548 0.689 . . . . 0.0 109.599 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -80.89 -41.7 22.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.377 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.39 171.58 9.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.924 0.392 . . . . 0.0 111.645 -177.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.74 -34.64 21.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.15 -173.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.7 p -106.44 152.38 23.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.943 0.401 . . . . 0.0 110.966 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.565 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 89.3 mt-30 -66.07 -34.58 78.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.291 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 37.8 tt0 -59.7 -47.05 87.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.54 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -65.52 -38.27 89.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.044 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -65.61 -32.44 74.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.75 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 99.8 mtt180 -62.4 -52.91 61.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.986 0.422 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.39 98.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.241 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.81 -43.16 94.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.76 92.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.887 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.4 mt -65.16 -38.0 89.17 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.137 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.6 -53.15 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 95' ' ' ILE . 8.7 tp -60.94 -47.59 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.266 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -66.13 -38.29 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.468 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -59.22 -48.31 82.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.182 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.88 -44.39 86.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.639 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 91' ' ' LEU . 81.6 mt -63.79 -42.83 97.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.8 t -72.9 -41.16 60.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.138 0.494 . . . . 0.0 110.61 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 63.1 m-20 -65.25 -28.16 69.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.84 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -24.09 50.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.622 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.29 -20.75 25.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.877 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 97' ' ' ASN . 44.0 mtpt -95.36 -26.04 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.417 0.627 . . . . 0.0 111.113 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.9 mt . . . . . 0 N--CA 1.444 -0.759 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.953 175.022 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.814 HD22 HD11 ' A' ' 10' ' ' LEU . 42.2 tp -86.32 94.46 9.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 109.754 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.54 113.21 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.404 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.54 -39.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 110.324 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 m -156.99 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.581 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.41 -52.5 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.735 0.302 . . . . 0.0 110.812 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -88.07 -0.04 56.57 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.318 0.58 . . . . 0.0 111.038 -174.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.39 116.46 47.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.335 0.588 . . . . 0.0 110.783 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -139.55 142.15 37.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.814 HD11 HD22 ' A' ' 2' ' ' LEU . 78.2 mt -117.31 104.0 50.7 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.771 0.32 . . . . 0.0 110.183 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.78 141.94 97.75 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.266 2.644 . . . . 0.0 112.592 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -52.34 -40.24 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.041 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.03 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.615 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -84.86 1.95 44.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.006 0.431 . . . . 0.0 111.069 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -120.11 135.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.797 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.561 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 9.9 tp10 -100.96 108.97 20.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.773 0.321 . . . . 0.0 110.19 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.57 108.75 20.16 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.049 0.452 . . . . 0.0 110.157 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.69 161.0 22.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.919 -176.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.72 145.57 28.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.51 106.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.411 . . . . 0.0 110.176 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 179.826 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 120.964 0.412 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 t -103.24 7.06 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.718 0.771 . . . . 0.0 109.701 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -75.35 119.06 18.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.215 -175.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.7 ' HE3' ' HB3' ' A' ' 80' ' ' GLN . 13.0 mmt -97.98 154.6 17.57 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.615 174.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -122.95 126.1 46.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.628 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -127.49 129.93 48.3 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.561 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 62.8 ttt180 -115.17 125.9 53.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 174.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.555 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 74.0 t80 -119.93 105.93 11.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.512 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.94 113.52 19.2 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.782 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 70.2 mt -74.96 -27.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.298 0.57 . . . . 0.0 110.497 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -73.04 -53.48 11.02 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.393 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.45 -1.46 58.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -81.04 170.0 16.77 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.722 -177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 m -82.1 17.78 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.05 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.89 129.11 81.7 Favored Pre-proline 0 C--O 1.233 0.217 0 CA-C-N 116.686 -0.233 . . . . 0.0 110.83 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.12 142.37 94.32 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.497 2.132 . . . . 0.0 111.16 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.488 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 96.6 Cg_exo -44.37 -50.2 8.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.693 2.928 . . . . 0.0 113.252 -174.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.16 -48.51 67.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.01 0.433 . . . . 0.0 111.44 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -74.73 -36.16 62.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.368 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 40.2 ttmt -64.05 -43.7 94.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.655 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 10.5 mm-40 -62.03 -46.68 88.13 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.272 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -44.05 72.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.633 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.43 -44.61 62.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.63 -38.28 90.53 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.245 0.545 . . . . 0.0 111.151 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.68 32.85 3.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.417 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 98' ' ' ALA . 13.2 tp -92.03 173.87 7.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.736 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.46 12.12 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.06 125.75 34.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.565 -174.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.7 m -81.7 -2.53 50.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.318 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -82.55 -17.89 43.35 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.489 0.661 . . . . 0.0 109.266 173.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.487 HG12 HD12 ' A' ' 70' ' ' ILE . 60.8 mt -96.95 118.25 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.438 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -70.1 153.74 42.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.49 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m -66.36 -5.68 11.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.103 -174.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -101.94 -12.93 17.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.951 0.405 . . . . 0.0 110.816 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 36.72 5.42 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.115 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.5 130.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.555 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 50.1 mm -103.16 121.66 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.174 177.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -122.84 121.87 64.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.76 165.0 12.03 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.583 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -134.97 104.56 6.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.128 -1.396 . . . . 0.0 108.089 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -101.36 102.1 12.86 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -140.88 29.12 1.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 109.84 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.92 -26.03 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.641 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -111.06 165.63 11.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.628 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -64.16 -50.32 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.708 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -99.52 139.99 34.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.125 0.488 . . . . 0.0 112.279 -173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.7 ' HB3' ' HE3' ' A' ' 37' ' ' MET . 78.1 mt-30 -54.21 -40.91 68.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.847 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.37 -40.29 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.776 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -75.24 -32.49 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.335 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -61.64 -37.23 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.663 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.506 ' HG3' ' HG3' ' A' ' 37' ' ' MET . 62.1 mtt180 -61.94 -39.57 92.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 110.899 175.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.12 72.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.987 0.422 . . . . 0.0 110.757 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.78 -48.25 78.31 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.398 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.55 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . . . -59.08 -38.04 78.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.625 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -40.32 83.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.894 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.47 -52.57 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.113 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' A' ' 87' ' ' ALA . 9.1 ptm180 -67.2 -27.71 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.944 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 6.0 tt -65.8 -50.41 64.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -65.71 -34.52 78.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.22 -50.67 73.12 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.59 -48.87 65.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.59 -51.05 70.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.914 -175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.8 t -76.94 -38.84 29.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.015 0.436 . . . . 0.0 111.304 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.44 -46.75 53.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.897 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.473 ' HB3' HD23 ' A' ' 59' ' ' LEU . . . -75.6 -21.69 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.09 -3.52 30.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -91.73 -12.75 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.948 -176.065 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.96 0.41 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.709 HD22 HD13 ' A' ' 10' ' ' LEU . 47.9 tp -89.79 96.78 10.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.0 109.656 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -81.63 110.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.881 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.29 -45.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 109.565 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.506 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 32.8 t -136.0 177.45 7.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.98 -50.56 73.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.738 0.304 . . . . 0.0 110.951 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -103.05 10.09 38.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.441 0.639 . . . . 0.0 110.895 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.506 ' HB ' ' HB3' ' A' ' 5' ' ' SER . 58.9 t -123.12 116.7 49.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.182 0.515 . . . . 0.0 109.821 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -134.19 144.2 48.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.741 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 2' ' ' LEU . 65.4 mt -109.66 117.63 52.1 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . 0.743 ' HG2' ' HB2' ' A' ' 14' ' ' GLU . 10.3 Cg_endo -57.52 145.76 87.21 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.78 2.32 . . . . 0.0 112.004 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.05 -38.06 75.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.019 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.25 -6.11 49.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.122 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.743 ' HB2' ' HG2' ' A' ' 11' ' ' PRO . 20.3 tt0 -94.93 -0.86 53.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.851 0.834 . . . . 0.0 110.125 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.45 100.82 11.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.685 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.959 ' HG2' ' HE ' ' A' ' 40' ' ' ARG . 8.2 tp10 -87.5 101.8 13.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.501 -175.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 ' HG ' ' A' ' 39' ' ' LEU . 87.5 mt -108.6 110.36 21.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.703 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -111.31 157.26 20.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.956 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.489 ' HA ' ' HE1' ' A' ' 37' ' ' MET . . . -107.73 122.45 46.77 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.2 mt -81.39 101.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 109.699 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -178.465 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.441 -0.882 0 CA-C-O 121.397 0.618 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.7 p -83.16 11.05 6.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.217 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.633 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -76.64 120.04 21.27 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.016 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.557 ' HA ' ' HE1' ' A' ' 37' ' ' MET . 4.0 mmt -95.43 140.97 29.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.465 175.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 16.4 t-80 -105.7 121.62 44.39 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.743 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.481 ' HG ' HD21 ' A' ' 17' ' ' LEU . 6.7 mp -120.57 140.77 51.02 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.994 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.959 ' HE ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 ptt180 -134.64 98.89 4.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.37 0.605 . . . . 0.0 110.16 173.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.465 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.2 t80 -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.49 111.73 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.078 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 56' ' ' LEU . 70.5 mt -69.29 -26.74 32.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.796 -176.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.91 -46.27 37.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 -175.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.89 -10.13 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 p -63.95 150.4 45.18 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -75.89 26.96 0.11 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.692 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.7 mt -88.73 142.17 30.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -63.89 155.17 65.61 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.449 2.099 . . . . 0.0 112.301 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 53' ' ' LYS . 54.0 Cg_exo -53.14 -30.82 51.98 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.115 2.543 . . . . 0.0 112.098 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -49.76 -50.19 45.45 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.848 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -76.04 -39.18 56.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.787 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.692 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 94.2 mttt -60.24 -37.83 81.57 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 46.1 mt-10 -57.87 -49.42 76.77 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.287 0.565 . . . . 0.0 111.209 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.535 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 78.5 mtt85 -75.4 -23.94 57.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.335 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 43' ' ' ILE . 88.5 mt -71.04 -44.11 66.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 110.301 172.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.49 -47.06 83.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.397 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.91 33.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.465 -177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.2 mt -76.98 160.91 28.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.605 0.717 . . . . 0.0 110.648 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -93.66 15.35 16.5 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -97.73 153.6 18.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.849 -171.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.5 m -85.82 -13.4 48.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.598 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.982 0.42 . . . . 0.0 110.646 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.414 HD13 HD11 ' A' ' 70' ' ' ILE . 40.6 mm -71.11 106.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.985 177.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -96.23 165.11 12.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 m -72.15 -21.48 61.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.161 0.505 . . . . 0.0 109.957 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.559 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.93 42.62 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.562 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.46 131.04 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.978 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 72' ' ' LEU . 30.7 mm -97.99 108.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.776 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.0 t -103.7 127.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.58 HD12 HG21 ' A' ' 70' ' ' ILE . 2.7 mp -125.16 156.4 38.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.51 0.672 . . . . 0.0 111.231 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.52 104.35 6.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.645 172.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -86.76 102.21 14.04 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.99 -175.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -122.84 20.03 10.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.544 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -68.63 -56.34 8.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.037 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -87.51 164.68 16.0 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 78' ' ' ARG . 17.1 tpt180 -90.07 -10.9 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.221 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.77 134.65 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.505 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -66.21 -44.35 84.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.19 -175.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 5.8 tp10 -64.35 -32.53 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.83 -36.5 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.642 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -60.36 -36.38 77.9 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.155 0.503 . . . . 0.0 110.07 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 14.8 ttt180 -52.81 -52.24 57.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.36 175.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.15 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.001 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.1 -47.94 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.188 0.518 . . . . 0.0 110.255 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.77 89.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.226 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 82.5 mt -62.0 -40.66 96.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.696 0.284 . . . . 0.0 110.866 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.84 -51.88 65.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 0.0 110.09 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -65.14 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.373 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.75 -51.49 62.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 110.112 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 p -62.44 -36.69 83.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.107 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 2.9 mm-40 -59.6 -47.79 84.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.411 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.58 -43.36 93.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.13 -49.42 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.919 0.39 . . . . 0.0 111.066 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.38 -41.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 8.9 t-20 -61.19 -37.87 84.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.933 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.3 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.535 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -88.23 -11.87 45.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.248 0.547 . . . . 0.0 111.115 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -96.39 -22.66 17.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.996 -173.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 101' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 122.109 0.957 . . . . 0.0 112.324 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.571 0.224 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.805 HD21 HD13 ' A' ' 10' ' ' LEU . 48.8 tp -88.04 96.74 10.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.363 0.601 . . . . 0.0 109.773 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.7 t -79.04 110.41 14.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.159 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -93.92 -35.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.401 0.62 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -153.37 -177.53 6.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.745 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -61.11 -40.29 93.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -116.09 16.42 16.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.243 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.27 118.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 109.871 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -137.22 143.19 42.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.587 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.805 HD13 HD21 ' A' ' 2' ' ' LEU . 40.6 mt -110.88 111.02 56.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.045 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.56 139.63 59.38 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 123.184 2.589 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -37.32 71.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.456 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.29 -24.45 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.477 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -83.3 0.62 44.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.126 0.489 . . . . 0.0 111.195 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG23 ' HG ' ' A' ' 17' ' ' LEU . 62.8 mt -106.75 116.41 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.894 -178.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 6.4 tp10 -93.86 101.38 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.858 176.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 15' ' ' ILE . 84.6 mt -103.39 110.11 22.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.294 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.25 152.72 37.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.215 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 132.94 52.79 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -96.5 119.76 44.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 110.139 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.5 p -83.9 -3.17 57.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.725 0.298 . . . . 0.0 111.037 -178.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . . . -61.67 107.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.612 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.0 mmm -97.71 148.3 23.48 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.367 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.556 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 23.9 t-80 -110.38 128.49 55.6 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.184 176.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 87' ' ' ALA . 60.8 tp -121.71 125.45 46.64 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.655 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 20.5 ttt180 -124.01 118.34 26.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.055 170.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.533 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 58.4 t80 -110.87 113.45 26.03 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.096 0.474 . . . . 0.0 109.865 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.615 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 52.3 mt -66.74 -31.89 55.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.651 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.56 -53.4 58.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.773 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.3 5.43 47.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.44 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 157.39 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.963 0.411 . . . . 0.0 111.242 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -84.05 6.23 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.916 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.406 HD13 HG21 ' A' ' 43' ' ' ILE . 50.2 mt -54.71 138.07 62.65 Favored Pre-proline 0 C--O 1.235 0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.603 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.48 147.84 92.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.986 2.457 . . . . 0.0 112.024 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.4 -42.63 40.72 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.377 2.718 . . . . 0.0 113.165 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.39 -52.81 60.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.142 0.496 . . . . 0.0 111.509 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.401 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 87.9 m-85 -64.0 -40.76 97.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.152 -177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.615 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.3 mttt -59.48 -47.13 86.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.885 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.08 -43.05 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.661 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.4 mmt180 -63.61 -42.88 98.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.737 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 64' ' ' ILE . 92.9 mt -60.89 -46.91 88.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.44 -24.12 67.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.176 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.62 5.64 47.63 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 22.5 mt -72.65 156.93 38.46 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.098 0.475 . . . . 0.0 111.91 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -92.63 15.29 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.338 1.066 . . . . 0.0 108.917 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.46 ' HB3' HG12 ' A' ' 64' ' ' ILE . 18.9 t70 -79.92 122.62 26.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.956 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 m -74.83 -10.95 59.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.117 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -85.14 -20.08 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.241 0.543 . . . . 0.0 109.809 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 56' ' ' LEU . 43.7 mm -80.26 127.57 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.013 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.7 p -100.53 154.54 18.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.263 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.7 m -69.44 -20.86 63.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.962 0.41 . . . . 0.0 110.685 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.57 -14.77 60.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.691 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.51 8.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.827 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.18 128.57 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.83 0.348 . . . . 0.0 110.822 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 49.9 mm -98.27 112.68 30.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.419 ' C ' HD12 ' A' ' 72' ' ' LEU . 25.3 t -123.47 117.89 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.04 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 71' ' ' VAL . 9.6 mp -128.59 174.55 9.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.15 0.5 . . . . 0.0 111.205 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -136.6 109.32 7.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.52 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.18 104.72 13.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.493 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -131.96 26.68 4.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.186 0.517 . . . . 0.0 110.25 176.327 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -62.06 -47.75 83.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.601 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.73 163.14 13.31 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -177.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -71.65 -38.26 70.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.284 176.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.8 p -92.56 133.6 35.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 97.6 mt-30 -65.79 -31.29 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.333 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.64 -43.05 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.31 -36.32 79.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.39 -32.78 74.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.63 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 86.7 mtt180 -63.39 -49.64 73.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.922 0.392 . . . . 0.0 109.971 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.14 95.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.223 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.16 0.505 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' HD23 ' A' ' 39' ' ' LEU . . . -60.22 -48.28 82.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.85 -39.0 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.21 -50.7 72.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm105 -60.29 -34.94 74.46 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.334 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 95' ' ' ILE . 44.3 tp -62.36 -52.13 64.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.139 0.495 . . . . 0.0 110.554 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -63.96 -40.81 97.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.539 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -59.04 -47.88 83.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.464 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.7 -44.69 86.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.865 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.9 mt -57.7 -48.29 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.38 -38.16 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 21.7 m-80 -74.61 -43.79 53.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.969 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 59' ' ' LEU . . . -63.29 -28.08 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.62 68.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.762 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.04 -19.73 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.264 0.554 . . . . 0.0 111.302 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 84.9 mt . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.913 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.051 0.453 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.739 HD12 ' HB3' ' A' ' 88' ' ' LEU . 3.2 mm? -92.51 105.31 17.51 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 -177.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -75.55 109.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.689 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.5 mm -94.57 -44.96 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -145.32 175.89 9.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.223 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.6 -28.29 66.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.51 . . . . 0.0 110.397 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -104.55 -1.51 26.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.321 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.97 119.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.096 0.474 . . . . 0.0 110.85 -176.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -132.64 145.13 50.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.202 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 2' ' ' LEU . 1.1 tt -108.27 105.46 56.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.6 146.2 72.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.875 2.383 . . . . 0.0 112.738 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.14 -38.81 74.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.83 -0.59 16.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.891 -1.049 . . . . 0.0 113.05 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -109.97 10.06 24.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.458 0.647 . . . . 0.0 110.855 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.76 122.76 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 171.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.544 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 35.4 tt0 -78.04 97.86 5.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.035 0.445 . . . . 0.0 111.11 -175.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -94.57 110.65 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.86 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.0 130.21 56.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.966 177.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.16 116.36 27.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.726 0.298 . . . . 0.0 111.292 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 38' ' ' HIS . 60.7 mt -94.39 115.22 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.047 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.246 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.443 -0.817 0 CA-C-O 121.228 0.537 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -94.22 12.99 24.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.03 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -71.05 108.93 4.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.233 -175.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.529 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 53.5 mtp -100.03 130.03 46.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.142 0.496 . . . . 0.0 110.199 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.484 ' HB2' HD13 ' A' ' 20' ' ' ILE . 32.8 t-80 -95.78 122.04 38.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.013 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 8.3 mp -115.52 118.68 33.83 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.711 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.3 ttt180 -110.78 113.3 25.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.285 172.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -110.2 105.84 15.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.181 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.08 93.12 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.517 HD11 HD13 ' A' ' 56' ' ' LEU . 59.8 mt -58.9 -37.81 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.884 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.99 -48.78 80.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.927 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.85 18.71 13.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.086 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -87.35 158.17 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.82 0.343 . . . . 0.0 110.645 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 13.96 8.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.244 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.09 137.03 96.9 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.356 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.73 149.33 14.25 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 123.564 2.843 . . . . 0.0 113.437 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.03 -36.79 45.74 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.737 2.958 . . . . 0.0 113.385 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -53.29 -47.29 69.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.201 0.524 . . . . 0.0 110.642 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.95 -37.75 69.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -53.62 -55.4 26.17 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 175.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.56 -49.24 76.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.542 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -44.31 80.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.796 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD23 HD13 ' A' ' 64' ' ' ILE . 86.5 mt -73.34 -47.63 40.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.377 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 tt -53.3 -39.83 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.329 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.89 35.58 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.487 HD23 HD11 ' A' ' 64' ' ' ILE . 19.1 tp -81.27 163.81 22.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.098 0.475 . . . . 0.0 110.796 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -90.92 9.95 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.652 0.739 . . . . 0.0 109.683 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -74.56 151.5 39.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.06 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -106.21 1.02 25.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.829 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -107.12 -44.04 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.74 HD12 HD13 ' A' ' 94' ' ' LEU . 68.0 mt -71.35 117.68 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.303 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p -89.78 157.63 17.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.001 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 p -65.98 -8.26 21.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.116 0.484 . . . . 0.0 111.522 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.9 -24.5 48.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 0.0 110.087 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.5 9.09 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.57 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.51 128.04 72.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.515 HD13 HG12 ' A' ' 64' ' ' ILE . 38.2 mm -125.26 128.72 72.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.329 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.07 130.65 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.448 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.83 166.99 22.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -143.99 110.02 5.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.798 0.808 . . . . 0.0 109.667 169.46 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -88.43 108.98 19.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.867 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 20.97 2.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.083 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -77.91 -33.28 51.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.701 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -102.07 162.46 12.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -74.63 -42.97 57.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 p -84.35 127.86 34.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.236 0.541 . . . . 0.0 111.373 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -65.55 -30.97 71.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.405 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.57 -47.74 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.16 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.01 -30.49 62.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.33 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -57.49 -40.61 79.0 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.185 171.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -59.3 -55.44 34.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.354 0.597 . . . . 0.0 110.145 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.092 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.04 -50.93 70.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.204 0.526 . . . . 0.0 110.771 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.41 96.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.197 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.739 ' HB3' HD12 ' A' ' 2' ' ' LEU . 88.5 mt -64.92 -37.9 89.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -48.4 76.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.869 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -61.97 -38.24 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.115 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.54 -47.34 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -62.42 -41.82 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.94 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.13 -43.13 99.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.776 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.74 HD13 HD12 ' A' ' 64' ' ' ILE . 3.3 tm? -59.73 -40.26 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.758 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.84 -45.14 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.84 -34.52 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.133 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.465 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 4.0 t-20 -55.65 -53.2 59.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.742 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.09 -25.42 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.642 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.21 -24.33 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -87.24 -25.83 23.8 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 97.2 mt . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.979 -173.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 43.6 ttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.73 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 43.9 tp -99.81 101.3 12.4 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.309 0.576 . . . . 0.0 109.548 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.61 117.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.59 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.35 -53.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.386 0.613 . . . . 0.0 109.621 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.569 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 37.0 m -124.35 179.94 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.611 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.88 -36.74 64.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.293 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -102.69 4.51 38.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.447 0.642 . . . . 0.0 110.427 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.569 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 83.8 t -124.37 118.02 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.23 0.538 . . . . 0.0 109.717 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.438 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 36.6 m80 -130.0 141.11 50.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.755 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.73 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 93.6 mt -103.64 108.19 58.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.866 0.365 . . . . 0.0 110.383 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.16 141.51 98.13 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.902 2.401 . . . . 0.0 111.755 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.65 -35.06 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.528 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.38 -26.37 66.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.558 ' OE2' ' HA ' ' A' ' 46' ' ' SER . 24.5 mt-10 -90.13 3.98 51.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.182 0.515 . . . . 0.0 110.724 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.1 mt -117.88 114.84 46.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.91 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.52 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 83.0 tt0 -93.02 98.57 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.046 0.451 . . . . 0.0 110.766 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -95.87 118.53 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.966 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.22 162.36 18.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.82 129.94 46.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.479 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 59.5 mt -92.21 118.32 37.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.269 0.557 . . . . 0.0 110.653 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -94.63 163.16 13.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.27 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.43 96.85 3.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -58.47 135.56 57.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 110.909 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.03 -2.9 60.04 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.594 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.507 ' HB1' ' HB ' ' A' ' 30' ' ' VAL . . . -143.48 170.22 16.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.675 -0.263 . . . . 0.0 110.57 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.48 -16.59 19.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.386 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.98 73.61 0.4 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.437 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 36.6 tt0 69.63 132.89 0.03 OUTLIER 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.622 0.769 . . . . 0.0 110.213 -171.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 87.3 m-20 74.46 129.47 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.452 -175.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' HB ' ' HB1' ' A' ' 25' ' ' ALA . 6.1 t 52.71 86.47 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.928 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.454 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -114.14 80.11 1.35 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.477 0.656 . . . . 0.0 111.157 -178.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 31' ' ' ASN . 47.5 mttp -156.55 121.81 4.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.849 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.65 143.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.749 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 m -76.43 148.84 37.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -84.24 12.01 7.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.314 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -79.62 113.08 17.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.312 0.577 . . . . 0.0 111.06 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.6 tpt -98.02 163.49 12.74 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -138.02 134.63 35.04 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.336 0.589 . . . . 0.0 110.572 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 87' ' ' ALA . 57.2 tp -120.5 129.86 54.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.824 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.597 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 71.2 ttt-85 -139.58 109.59 6.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.252 0.549 . . . . 0.0 110.141 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.539 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 88.1 t80 -116.15 113.66 23.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.843 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.54 93.73 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.61 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 39.1 mt -62.42 -32.72 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.522 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.51 -24.73 22.86 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -172.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.558 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 12.7 p -64.93 164.99 11.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.326 0.584 . . . . 0.0 112.197 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 p -83.81 15.12 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.19 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 32.7 mt -58.91 133.52 87.0 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.295 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 150.22 75.5 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.775 2.316 . . . . 0.0 111.654 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -48.63 -37.0 33.67 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.256 2.637 . . . . 0.0 112.708 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.54 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 92.3 t80 -56.26 -55.05 38.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.12 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -64.31 -38.73 92.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.61 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 95.4 mttt -60.02 -45.85 91.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.008 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.16 -39.68 86.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.583 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 12.3 mmm180 -60.54 -42.37 96.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.734 0.302 . . . . 0.0 110.975 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.587 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 94.5 mt -73.34 -47.46 42.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.431 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.3 -40.91 92.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.29 27.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.583 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.587 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -82.86 163.52 21.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 110.622 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 16.0 20.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.709 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.86 144.47 27.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.303 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -89.33 1.11 56.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.116 -176.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -93.69 6.77 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.519 0.676 . . . . 0.0 109.69 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mm -97.83 130.96 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.206 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.6 p -102.56 156.63 17.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -65.15 -25.63 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.678 0.275 . . . . 0.0 111.349 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -84.12 -9.0 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.971 0.415 . . . . 0.0 111.059 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.98 3.09 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.286 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.0 t -132.84 128.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.597 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 47.0 mm -86.33 112.93 23.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.46 HG21 ' HG3' ' A' ' 40' ' ' ARG . 23.6 t -124.63 118.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.633 0.254 . . . . 0.0 110.505 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.445 HD11 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -140.03 169.52 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 0.0 110.047 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -141.24 110.31 6.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.835 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' A' ' 83' ' ' ASN . . . -92.27 102.48 14.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.013 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.13 23.44 11.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.007 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -85.51 -57.52 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.002 -172.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.11 164.1 25.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.811 -172.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.408 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 3.4 tmt_? -68.01 -32.62 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.327 -175.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.415 ' OG1' ' HG2' ' A' ' 82' ' ' GLN . 16.2 p -117.1 143.44 45.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -62.19 -25.14 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.77 -49.67 76.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.408 . . . . 0.0 110.85 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' HG2' ' OG1' ' A' ' 79' ' ' THR . 84.6 mm-40 -68.12 -36.71 80.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.325 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.461 ' HB3' ' HB2' ' A' ' 74' ' ' ALA . 62.7 m-80 -68.81 -30.34 68.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.26 177.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.9 ttt180 -62.99 -49.98 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.403 175.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.17 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.914 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.527 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 28.7 t70 -57.34 -53.27 60.04 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.206 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.451 ' HB3' HD23 ' A' ' 39' ' ' LEU . . . -55.57 -41.77 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.976 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 88.2 mt -66.49 -43.2 86.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.69 0.281 . . . . 0.0 111.187 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -69.13 -38.39 78.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.459 0.647 . . . . 0.0 109.421 177.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.527 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 11.7 ttt180 -60.97 -45.11 96.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.375 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.484 ' O ' HG13 ' A' ' 95' ' ' ILE . 55.9 tp -62.68 -52.08 64.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.973 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 p -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.49 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.596 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 1.8 tm-20 -59.5 -47.45 85.47 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.2 -43.1 96.21 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.515 ' HA ' HD23 ' A' ' 56' ' ' LEU . 75.5 mt -63.12 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.6 -34.98 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.982 0.42 . . . . 0.0 110.376 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.879 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 9.9 t-20 -56.31 -49.31 74.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.431 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.456 ' HB3' HD11 ' A' ' 59' ' ' LEU . . . -64.68 -23.35 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.652 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.54 -38.25 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.879 ' HE2' ' HA ' ' A' ' 97' ' ' ASN . 56.9 pttt -81.33 -21.68 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 112.014 -174.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.3 mt -81.83 170.37 15.77 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.305 175.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.61 -41.81 6.45 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.034 0.445 . . . . 0.0 110.291 177.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -168.52 -176.23 2.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.891 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.444 ' HB3' ' H ' ' A' ' 105' ' ' HIS . 37.7 m80 63.97 -157.2 0.31 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.386 0.613 . . . . 0.0 110.262 -173.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.444 ' H ' ' HB3' ' A' ' 104' ' ' HIS . 57.0 t-80 -161.27 -34.62 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -79.42 67.08 5.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.916 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -174.11 128.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.473 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.733 0 CA-C-O 118.394 -0.812 . . . . 0.0 110.074 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 ttm . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.08 0.467 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.644 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 51.1 tp -89.54 102.95 15.63 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.277 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.46 110.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.31 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 69.6 mt -95.75 -65.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 171.74 7.22 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -65.12 -38.98 92.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.223 0.535 . . . . 0.0 110.415 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -97.14 3.4 51.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.751 -175.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.08 118.95 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 0.0 110.56 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -127.46 144.12 51.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.674 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.644 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 63.3 mt -108.81 105.05 56.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.751 0.31 . . . . 0.0 110.775 176.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.4 146.27 97.03 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 111.592 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.28 -32.44 64.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.75 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.86 70.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.211 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.14 7.26 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 110.896 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.22 114.82 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.749 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.543 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 12.4 tp10 -90.46 102.34 15.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.327 0.584 . . . . 0.0 110.655 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.753 HD21 HD21 ' A' ' 88' ' ' LEU . 83.9 mt -102.05 110.18 22.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.949 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.562 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.76 149.16 42.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.304 178.365 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.43 147.75 30.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.792 0.329 . . . . 0.0 110.379 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.529 HD11 ' HB2' ' A' ' 38' ' ' HIS . 13.6 mt -126.92 164.99 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -110.1 155.6 21.69 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.57 169.54 11.33 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -82.22 140.76 33.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.538 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.13 -156.1 7.68 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' H ' ' HA ' ' A' ' 31' ' ' ASN . . . 59.64 29.48 19.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.147 0.499 . . . . 0.0 111.43 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.43 151.67 6.28 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.95 18.6 8.2 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.989 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 70.53 112.4 0.05 Allowed 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.466 0.706 . . . . 0.0 112.232 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 74.7 -16.44 0.55 Allowed 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.228 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.96 95.63 4.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.613 0.72 . . . . 0.0 111.747 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.465 ' HA ' ' H ' ' A' ' 25' ' ' ALA . 44.0 m-80 -124.58 16.65 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.222 176.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -125.85 150.24 48.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.491 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -74.4 128.74 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.038 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 m -73.24 176.01 6.31 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.865 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.465 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 11.7 p -67.17 -72.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.278 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.34 82.47 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.237 0 O-C-N 124.033 0.833 . . . . 0.0 111.96 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.451 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 79.7 mtp -110.9 149.24 30.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.262 0.553 . . . . 0.0 111.109 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.562 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 17.7 t-80 -96.57 117.37 30.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.368 174.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.71 118.68 37.31 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.328 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 44.9 ttt180 -126.19 123.75 38.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.202 0.525 . . . . 0.0 110.842 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.512 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.7 t80 -132.84 104.49 6.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.295 175.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.39 89.8 4.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.568 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 54.5 mt -56.45 -41.36 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.29 0.567 . . . . 0.0 110.056 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -54.54 -48.34 72.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.062 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.52 -23.79 27.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.41 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.1 p -63.72 155.83 28.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.242 0.544 . . . . 0.0 111.496 -176.566 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.7 17.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.983 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.522 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 64.1 mt -62.1 142.22 95.59 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-O 120.599 0.238 . . . . 0.0 110.446 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 139.81 90.0 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.399 2.066 . . . . 0.0 111.394 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.84 -31.41 42.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.253 2.635 . . . . 0.0 112.49 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.589 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 88.9 t80 -54.03 -51.87 62.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -65.9 -37.62 86.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.568 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 99.2 mttt -60.58 -44.66 95.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.1 -46.23 91.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.752 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.589 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 6.9 mmm180 -59.22 -47.34 85.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 91.8 mt -64.98 -44.27 89.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.283 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.12 -42.27 98.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.497 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.44 21.08 1.53 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.868 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.2 OUTLIER -80.45 163.97 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.025 0.44 . . . . 0.0 109.894 178.48 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -90.28 13.52 15.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.62 0.724 . . . . 0.0 110.401 -178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -96.02 141.61 29.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.315 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -104.63 6.04 34.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.133 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.08 -31.66 12.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.49 109.1 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.092 168.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -68.66 152.16 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -2.83 35.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.14 -12.91 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.22 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.69 47.47 6.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.065 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.7 t -130.22 123.92 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 36.2 mm -97.33 112.48 29.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.0 t -134.52 111.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.19 0.519 . . . . 0.0 110.487 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -134.67 168.97 18.04 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.63 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.451 ' HA ' ' O ' ' A' ' 37' ' ' MET . 61.0 mttp -128.62 107.14 9.45 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.55 116.79 31.56 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.707 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -123.2 26.41 8.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.405 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -72.72 -44.83 61.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.57 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.59 ' HB3' ' HB2' ' A' ' 83' ' ' ASN . 6.0 t80 -92.95 159.06 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.753 0.311 . . . . 0.0 110.462 -177.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.489 ' HD3' ' C ' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -70.38 -45.27 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.197 -178.439 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.585 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 5.4 p -97.99 149.9 21.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.649 0.262 . . . . 0.0 110.963 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.465 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.3 mt-30 -70.95 -48.95 50.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -175.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -37.41 85.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -176.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.7 -32.89 62.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.754 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.59 ' HB2' ' HB3' ' A' ' 77' ' ' TYR . 9.1 t30 -69.7 -37.59 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -54.49 -56.71 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.827 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.02 75.22 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.391 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.75 -50.99 68.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.589 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.69 -43.57 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.28 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.753 HD21 HD21 ' A' ' 17' ' ' LEU . 89.1 mt -63.86 -44.4 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.88 -41.41 87.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.286 0.565 . . . . 0.0 110.087 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.88 -42.02 98.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.16 -50.98 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.577 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.451 ' HB2' HD22 ' A' ' 2' ' ' LEU . 28.1 t -56.37 -43.27 79.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.78 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.28 -51.48 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.934 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.22 -46.32 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.57 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -52.49 46.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.583 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -73.79 -43.38 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.174 0.511 . . . . 0.0 111.138 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.51 -44.16 95.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.67 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.49 ' HA ' HD13 ' A' ' 101' ' ' LEU . . . -74.8 -15.58 60.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.553 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.03 -31.15 70.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.709 0.29 . . . . 0.0 111.421 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -11.16 37.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.621 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 98' ' ' ALA . 79.7 mt -77.03 103.86 7.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.086 0.469 . . . . 0.0 111.991 -173.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.78 -28.42 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.545 0.688 . . . . 0.0 109.41 168.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -81.66 80.34 8.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.879 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -82.04 104.45 12.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.421 0.629 . . . . 0.0 110.651 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -76.02 136.46 39.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.63 80.58 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.675 0.75 . . . . 0.0 110.048 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.431 ' HB3' ' H ' ' A' ' 108' ' ' HIS . 4.0 t-80 66.42 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.205 -1.361 . . . . 0.0 109.72 -174.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.431 ' H ' ' HB3' ' A' ' 107' ' ' HIS . 1.8 p-80 . . . . . 0 C--O 1.244 0.812 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.636 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 47.3 tp -103.9 104.49 14.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.519 . . . . 0.0 109.845 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -75.16 115.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.597 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.04 -53.64 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.13 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -141.48 -175.73 4.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.343 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -59.89 -44.25 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.812 0.339 . . . . 0.0 111.539 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -112.07 15.8 20.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.068 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -124.25 118.34 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.246 0.546 . . . . 0.0 110.034 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -132.71 144.14 50.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.043 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.636 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 88.0 mt -110.86 108.21 57.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.02 143.56 79.18 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.945 2.43 . . . . 0.0 111.801 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.9 -32.32 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.286 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.25 67.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.196 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -92.83 4.74 53.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.844 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -115.07 118.08 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.393 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.539 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 17.1 tp10 -99.12 97.13 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 0.0 110.635 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD23 HD13 ' A' ' 39' ' ' LEU . 57.6 mt -110.74 109.29 19.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.864 175.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -105.47 153.06 22.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.325 -176.23 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.12 116.99 32.89 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.552 HD12 ' HB2' ' A' ' 38' ' ' HIS . 64.5 mt -96.47 125.23 49.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.072 0.463 . . . . 0.0 110.624 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -93.28 155.28 17.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.115 0.483 . . . . 0.0 110.786 174.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB1' ' OE1' ' A' ' 23' ' ' GLN . . . -112.84 -167.62 1.21 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.73 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' OE1' ' HB1' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -72.3 132.2 43.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.19 0.519 . . . . 0.0 110.414 179.449 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.77 36.09 4.28 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.076 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.74 156.25 42.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.26 -167.67 38.44 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.675 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.07 -50.79 55.8 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.151 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 31.1 tt0 -98.32 4.49 48.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 0.0 110.192 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t30 68.21 146.14 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.147 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 m -125.36 103.4 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.341 0.591 . . . . 0.0 109.803 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -91.9 26.35 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.968 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -107.14 147.09 30.5 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.715 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 p -91.26 155.61 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -76.77 154.51 33.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.954 0.407 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.538 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.9 t -108.05 -1.76 20.19 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.7 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -77.78 111.81 13.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.269 -175.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.9 mtp -100.82 148.68 24.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 25.8 t-80 -99.73 128.88 45.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.592 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.509 HD23 ' HB2' ' A' ' 87' ' ' ALA . 41.2 tp -113.03 123.92 51.43 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.012 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.539 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 44.9 ttt180 -127.49 120.23 27.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.596 168.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.57 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 78.4 t80 -129.13 105.94 8.51 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.63 99.35 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.428 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.612 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 72.5 mt -62.46 -36.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.25 0.547 . . . . 0.0 109.73 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.73 -46.22 89.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.417 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.92 -10.55 36.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -169.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 p -78.24 171.8 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.217 0.532 . . . . 0.0 112.282 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 7.69 2.88 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.706 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.716 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.5 mt -65.03 134.35 96.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.717 0.294 . . . . 0.0 110.98 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.414 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 38.8 Cg_exo -62.61 150.29 88.27 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.54 2.16 . . . . 0.0 111.543 172.722 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.46 -32.03 41.27 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.147 2.565 . . . . 0.0 112.715 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -49.32 -50.91 37.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.187 0.518 . . . . 0.0 111.343 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.414 ' CD2' ' HD2' ' A' ' 49' ' ' PRO . 97.3 m-85 -73.93 -41.09 62.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.844 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.716 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.3 mttt -62.21 -40.71 96.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.682 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -58.84 -46.8 86.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 111.332 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' HB3' ' HB3' ' A' ' 98' ' ' ALA . 35.4 mmt180 -66.06 -46.74 76.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.414 ' HB3' HD11 ' A' ' 43' ' ' ILE . 84.3 mt -63.25 -44.49 95.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.801 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 1.3 tt -60.68 -40.03 90.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 0.0 110.605 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.98 26.61 6.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.858 -175.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.404 HD13 ' H ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -89.6 157.74 17.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.372 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.404 ' H ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -99.29 15.55 25.82 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.96 135.27 50.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.004 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -84.06 4.93 27.9 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.38 -172.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.53 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.1 mmp_? -103.95 -11.87 17.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.306 0.575 . . . . 0.0 109.92 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.451 HG12 ' CD1' ' A' ' 70' ' ' ILE . 52.2 mt -98.61 112.5 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.517 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.2 p -82.73 165.06 20.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.217 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -73.06 4.96 3.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 0.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.9 -19.05 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.304 0.573 . . . . 0.0 109.6 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 22.21 46.73 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.092 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.65 139.03 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 110.673 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.57 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 46.6 mm -80.94 123.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.807 174.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 24.0 t -127.58 116.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.53 HD11 ' HB3' ' A' ' 63' ' ' ARG . 5.8 mp -143.93 173.57 11.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.585 0.707 . . . . 0.0 111.767 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -132.74 110.37 10.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.091 -1.413 . . . . 0.0 108.473 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.479 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -84.94 101.55 12.44 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -136.67 19.88 3.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.284 0.564 . . . . 0.0 110.259 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -81.43 -41.77 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -93.75 162.49 13.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -65.72 -35.76 81.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.931 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.4 p -110.03 145.65 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.772 0.32 . . . . 0.0 111.561 -176.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.538 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 43.5 mt-30 -60.86 -40.05 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.788 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -59.44 -45.29 92.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.463 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -74.69 -31.81 62.0 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.969 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -62.34 -44.07 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.025 0.44 . . . . 0.0 109.87 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.401 ' CG ' HD12 ' A' ' 17' ' ' LEU . 32.5 ttt180 -55.79 -51.49 67.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.506 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.33 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.761 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -69.09 -46.88 66.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.59 . . . . 0.0 110.046 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.509 ' HB2' HD23 ' A' ' 39' ' ' LEU . . . -59.12 -42.36 90.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.449 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.65 -31.17 72.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.218 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.91 -54.27 44.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 95' ' ' ILE . 2.9 tm? -56.5 -51.99 66.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.547 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.544 ' HB2' HD23 ' A' ' 2' ' ' LEU . 22.9 t -69.09 -37.16 78.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.249 -176.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 4.6 mm-40 -70.09 -47.23 62.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.449 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -39.31 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -176.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 91' ' ' LEU . 55.6 mt -54.89 -50.23 63.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 0.0 111.116 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.509 HG13 ' HE3' ' A' ' 100' ' ' LYS . 40.1 t -76.15 -34.31 26.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.511 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 3.1 t-20 -64.26 -35.58 81.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.899 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.501 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . . . -61.01 -21.51 63.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.777 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.43 -18.65 58.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.377 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 97' ' ' ASN . 0.1 OUTLIER -89.53 -25.35 21.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 109.942 178.081 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.9 mt -89.38 164.3 14.94 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.725 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -112.22 -81.04 0.59 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -147.16 23.42 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 0.0 110.473 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -81.64 117.14 21.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.92 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -99.32 11.02 40.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.019 0.437 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -101.59 131.75 47.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.113 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -145.0 97.76 3.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.917 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 t60 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.571 176.76 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 49.3 ttm . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.591 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.1 tp -97.08 95.38 7.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.15 116.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.242 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -91.71 -52.94 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -148.76 -166.27 2.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.349 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.81 -52.16 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.417 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -108.89 13.34 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -172.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -124.91 117.45 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.356 0.598 . . . . 0.0 110.185 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.409 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 43.9 m80 -133.93 133.28 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.014 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.591 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 89.2 mt -109.04 112.92 59.69 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-O 120.686 0.279 . . . . 0.0 110.628 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.429 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 27.2 Cg_exo -61.98 142.01 91.32 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.624 2.216 . . . . 0.0 111.171 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -55.15 -39.02 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.531 0.682 . . . . 0.0 110.703 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -11.7 57.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.348 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.429 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 23.4 mt-10 -86.81 -5.4 59.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.48 0.657 . . . . 0.0 110.167 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -108.88 111.73 37.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.303 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.6 tp10 -86.52 104.06 15.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 -178.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -96.38 110.47 22.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.558 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 3.7 m -115.44 155.05 28.15 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.39 132.43 53.96 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.377 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -115.03 119.46 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.847 0.356 . . . . 0.0 110.576 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -87.16 165.48 15.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.643 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.482 ' HB1' ' HB2' ' A' ' 34' ' ' SER . . . -77.27 135.4 38.43 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -167.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.32 135.06 39.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 169.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 29' ' ' ASN . . . -140.39 60.12 0.57 Allowed Glycine 0 C--N 1.315 -0.611 0 C-N-CA 120.09 -1.052 . . . . 0.0 113.563 -171.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.65 163.84 12.67 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.02 -136.14 12.62 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.725 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.22 -11.33 76.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.139 -175.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.483 ' HG2' HG12 ' A' ' 30' ' ' VAL . 29.4 tt0 -131.88 108.81 9.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.0 110.434 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.427 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 15.0 m120 -97.63 101.18 12.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.12 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 HG12 ' HG2' ' A' ' 28' ' ' GLN . 6.6 m -107.6 104.91 17.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.45 0.643 . . . . 0.0 111.144 -176.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.06 45.36 1.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.797 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' HG2' ' HB ' ' A' ' 30' ' ' VAL . 60.6 pttt -121.11 159.71 25.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.729 -178.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.7 p -81.1 153.7 4.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.031 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.482 ' HB2' ' HB1' ' A' ' 22' ' ' ALA . 21.3 t -104.46 158.77 16.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.512 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.0 p -97.23 2.89 51.44 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.024 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.96 105.84 2.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.004 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 88.9 mmm -96.34 141.9 29.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.423 177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.558 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 57.3 t-80 -105.62 116.56 32.15 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.337 0.589 . . . . 0.0 109.413 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.747 HD23 HD22 ' A' ' 72' ' ' LEU . 62.3 tp -100.66 120.35 39.93 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.137 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.569 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 39.2 ttt180 -118.09 109.9 16.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.537 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -112.19 108.71 18.05 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.78 97.31 2.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.175 0.512 . . . . 0.0 111.316 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 HG21 HD11 ' A' ' 56' ' ' LEU . 58.5 mt -54.63 -39.88 48.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.747 . . . . 0.0 109.579 173.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -66.18 -57.29 7.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.721 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.35 -20.97 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -63.28 155.72 27.71 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.181 0.515 . . . . 0.0 112.234 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -75.41 8.26 2.93 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.744 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.485 ' HG ' HD21 ' A' ' 10' ' ' LEU . 68.2 mt -65.6 137.65 96.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.817 177.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.38 153.25 23.18 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.195 2.597 . . . . 0.0 112.728 176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.86 -34.7 86.57 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.143 2.562 . . . . 0.0 112.29 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -54.02 -46.59 71.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.968 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 19.5 m-85 -71.23 -37.81 71.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.951 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -58.0 -44.5 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.043 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -57.08 -47.77 80.22 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.331 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -57.87 -48.75 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.595 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.509 HD11 HG21 ' A' ' 43' ' ' ILE . 97.4 mt -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -178.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.29 -34.06 77.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.022 0.439 . . . . 0.0 111.928 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.97 18.88 5.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 2.6 tp -79.2 156.94 27.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.361 0.6 . . . . 0.0 109.383 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.41 16.51 19.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.227 -177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.48 133.71 47.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.53 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.428 ' OG ' ' HA ' ' A' ' 107' ' ' HIS . 23.2 m -78.55 -2.55 39.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.03 -174.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -81.74 -6.46 59.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.304 0.573 . . . . 0.0 109.83 173.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.2 mm -85.13 114.19 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.143 172.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.9 p -99.53 153.06 19.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 m -65.36 -16.13 63.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.187 0.517 . . . . 0.0 111.041 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.99 -9.01 57.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.326 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 46.46 30.2 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 63.2 t -135.61 135.27 51.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 111.119 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.537 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 38.9 mm -85.21 117.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.22 122.65 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.598 0.713 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.747 HD22 HD23 ' A' ' 39' ' ' LEU . 1.8 pt? -154.06 175.51 13.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.962 176.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.57 116.32 12.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.502 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 106.87 18.77 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.575 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.16 22.12 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.289 0.566 . . . . 0.0 110.101 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.42 -52.2 59.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.065 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -95.99 171.29 8.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -71.81 -42.71 66.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.843 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 p -99.62 156.84 16.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.951 0.405 . . . . 0.0 111.154 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.512 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 51.1 mt-30 -70.28 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.86 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -62.95 -29.5 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.224 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -70.99 -47.13 60.61 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.544 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.429 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 92.8 m-20 -66.63 -28.77 68.75 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.357 0.598 . . . . 0.0 110.305 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.535 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 39.3 ttt180 -54.59 -53.17 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.05 172.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.2 72.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.097 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.429 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 30.9 t70 -56.55 -53.73 54.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.671 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.484 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -57.4 -42.43 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.504 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.22 -41.9 93.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.007 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.6 -49.47 73.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.017 0.437 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -64.84 -29.71 70.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.39 -51.77 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.8 p -62.02 -37.12 83.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -64.5 -40.7 96.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.019 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.77 -44.37 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.972 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.8 t -74.65 -36.86 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.096 0.475 . . . . 0.0 110.508 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.84 -45.43 94.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.16 -17.1 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.61 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.0 -30.21 35.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.808 0.337 . . . . 0.0 110.544 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -91.81 -25.87 18.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.306 0.574 . . . . 0.0 110.847 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.1 mt -114.37 -174.06 2.41 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.351 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -160.71 -58.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.887 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -93.02 106.2 18.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.152 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -135.96 92.75 2.84 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -78.2 109.09 11.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.619 -172.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -111.23 -51.87 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.063 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.428 ' HA ' ' OG ' ' A' ' 62' ' ' SER . 4.7 t-160 73.41 -4.49 2.2 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.79 0.836 . . . . 0.0 112.197 175.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.1 t60 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.831 -0.604 . . . . 0.0 109.806 172.823 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.1 ttp . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.798 0.332 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.546 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.0 tp -83.93 97.62 9.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.435 0.636 . . . . 0.0 109.85 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.86 109.55 15.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.108 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.62 -41.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.964 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 t -146.08 175.54 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.115 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.02 -30.63 71.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.363 0.602 . . . . 0.0 110.297 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -111.69 7.62 20.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.251 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -128.03 117.78 46.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.188 0.518 . . . . 0.0 110.135 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -136.9 134.19 36.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.933 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 70.9 mt -114.97 108.67 48.11 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.422 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.777 ' HG2' ' HG3' ' A' ' 14' ' ' GLU . 17.9 Cg_endo -64.52 146.51 89.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.293 1.995 . . . . 0.0 111.846 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.39 -34.14 68.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.806 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.96 64.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.876 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.777 ' HG3' ' HG2' ' A' ' 11' ' ' PRO . 39.5 mt-10 -85.3 -0.62 55.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.159 0.504 . . . . 0.0 111.575 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -109.65 115.64 50.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.525 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.559 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.0 tp10 -85.45 91.87 8.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.278 0.561 . . . . 0.0 110.216 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.522 HD23 HD21 ' A' ' 88' ' ' LEU . 89.7 mt -93.38 115.68 28.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.246 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.28 158.82 43.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.543 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.49 141.72 44.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.5 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.409 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 67.0 mt -93.78 121.1 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.217 0.532 . . . . 0.0 110.438 -178.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -83.92 136.81 33.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.28 -175.42 3.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -162.39 143.52 10.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.534 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -61.92 5.86 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.594 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 70.74 139.98 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.736 0.779 . . . . 0.0 112.775 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.58 -134.66 35.65 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.656 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.13 23.16 9.37 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.899 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -103.17 115.71 31.11 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' N ' HD21 ' A' ' 29' ' ' ASN . 0.9 OUTLIER -78.39 89.42 4.39 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.17 -178.283 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.22 73.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.316 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -103.12 82.57 2.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.648 0.737 . . . . 0.0 109.634 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -148.68 139.6 22.97 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.963 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.95 125.87 24.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.293 0.568 . . . . 0.0 110.976 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 m -71.91 159.14 34.76 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.553 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 75' ' ' GLN . 12.5 t -88.39 30.78 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.306 0.574 . . . . 0.0 109.477 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -91.61 118.81 30.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.997 -172.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.581 ' SD ' ' HB3' ' A' ' 80' ' ' GLN . 87.9 mmm -107.74 147.44 30.78 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.168 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -109.58 116.93 32.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.087 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 2.7 mm? -112.21 119.95 40.11 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.616 -175.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.559 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 41.7 ttt180 -123.71 114.74 20.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.016 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 75.9 t80 -108.34 118.18 36.1 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.26 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -88.58 93.92 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.91 -31.64 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.789 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -66.8 -53.12 36.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.95 -178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.94 -31.17 45.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 p -58.29 154.94 12.45 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -76.94 34.93 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.485 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.685 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 73.6 mt -85.3 143.52 39.34 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.563 0.22 . . . . 0.0 110.53 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.16 146.61 87.13 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.343 2.029 . . . . 0.0 111.412 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.58 -31.77 71.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.992 2.461 . . . . 0.0 112.546 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -51.41 -46.88 63.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -74.96 -45.9 39.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.763 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.685 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 97.6 mttt -57.72 -39.88 78.3 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.405 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.24 -57.12 14.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.239 0.542 . . . . 0.0 110.924 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -63.58 -29.52 70.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.325 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.511 HD22 ' HA ' ' A' ' 95' ' ' ILE . 94.8 mt -68.8 -47.46 66.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.182 0.515 . . . . 0.0 110.294 173.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.08 -17.73 64.46 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.296 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.72 12.58 31.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.34 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.435 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 12.0 mt -82.75 169.52 16.07 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-O 120.945 0.402 . . . . 0.0 110.092 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.92 16.21 26.36 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.425 0.631 . . . . 0.0 109.75 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.73 133.14 34.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.197 -174.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -79.77 -14.89 58.39 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.887 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -72.3 -24.45 61.33 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.238 0.542 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.6 mt -81.56 110.17 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.738 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.0 p -85.51 162.94 18.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.407 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.4 m -69.31 -16.21 63.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.453 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.04 -9.04 58.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.591 177.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.52 27.1 33.6 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.086 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -123.37 136.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.412 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 12.5 tt -115.2 127.87 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 8.3 p -124.02 137.79 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -177.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.17 164.06 29.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.633 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -124.91 106.38 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.197 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.4 103.73 15.93 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.1 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' HA ' ' O ' ' A' ' 35' ' ' SER . 37.7 tt0 -140.14 20.18 2.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.448 0.642 . . . . 0.0 109.659 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -81.34 -47.49 13.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.385 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -86.32 176.32 7.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.673 -174.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -70.71 -32.02 69.08 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -126.12 149.78 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.183 0.516 . . . . 0.0 112.346 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.581 ' HB3' ' SD ' ' A' ' 37' ' ' MET . 49.5 mt-30 -68.21 -39.22 82.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.75 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.537 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 42.5 tt0 -61.51 -40.58 95.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.576 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 66.1 mm-40 -72.42 -38.58 68.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -61.0 -35.83 77.88 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 120.863 0.363 . . . . 0.0 110.108 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.537 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 64.3 ttt180 -57.2 -58.68 7.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.411 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.99 88.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.604 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.77 -49.8 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.58 86.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.446 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.522 HD21 HD23 ' A' ' 17' ' ' LEU . 84.0 mt -64.49 -37.56 87.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.411 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 tt -66.41 -45.26 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -62.29 -39.4 92.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.328 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 95' ' ' ILE . 45.7 tp -67.95 -52.21 38.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.248 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 p -61.04 -39.21 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -61.17 -50.27 73.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.662 175.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.66 -43.77 76.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.885 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.511 ' HA ' HD22 ' A' ' 56' ' ' LEU . 75.7 mt -58.88 -48.28 86.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.058 0.456 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.501 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 44.7 t -74.29 -34.83 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.411 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.422 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 16.9 t-20 -61.54 -37.13 82.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.777 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.41 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.939 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.7 -11.72 52.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.829 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.501 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 78.3 mttt -87.39 -26.24 23.42 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.086 0.469 . . . . 0.0 110.041 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 90.7 mt -85.52 109.0 18.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.314 -174.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -95.26 -148.59 0.29 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 20.8 m170 66.85 -164.19 0.23 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -124.3 -23.03 4.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 171.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.445 ' HB3' ' H ' ' A' ' 106' ' ' HIS . 2.2 t-80 60.36 -96.62 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.211 173.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.445 ' H ' ' HB3' ' A' ' 105' ' ' HIS . 0.2 OUTLIER -169.95 124.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -101.07 -9.37 21.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.331 0.586 . . . . 0.0 109.607 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 C--O 1.248 0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.219 172.06 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 ttm . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.916 0.389 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 7.5 mp -87.23 102.15 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.936 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -76.54 110.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.505 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.8 mt -101.95 -42.56 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.306 0.575 . . . . 0.0 109.798 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.425 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 43.2 m -149.56 -175.43 5.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.674 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.32 -36.7 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.751 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -112.53 9.93 19.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.423 . . . . 0.0 111.204 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 47.2 t -124.74 117.63 50.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 109.925 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -143.54 144.55 32.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.776 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.5 mt -105.41 110.86 64.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.134 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.32 139.29 49.34 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.911 2.407 . . . . 0.0 111.848 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.79 -40.6 72.92 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.182 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -22.91 65.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.961 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.2 -1.07 57.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 110.971 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt -107.85 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.536 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.3 tp10 -88.9 107.97 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.5 mt -110.53 111.92 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.034 179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.551 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -100.08 142.07 32.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.145 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.3 130.89 52.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.179 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.9 mt -106.9 128.82 61.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.142 0.496 . . . . 0.0 110.728 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 40.5 mtp180 -65.04 169.05 5.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.487 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.6 129.64 39.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -65.96 109.54 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.767 0.794 . . . . 0.0 112.411 -173.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.44 54.74 0.53 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.056 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.01 127.84 34.37 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.805 -0.698 . . . . 0.0 111.341 -174.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.55 -68.47 3.54 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.016 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -136.71 -168.51 11.45 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 66.8 99.9 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.83 0.824 . . . . 0.0 110.861 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.59 92.87 6.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.216 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.2 m -131.9 113.53 22.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.492 0.663 . . . . 0.0 111.338 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -103.44 81.4 1.92 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.042 0.925 . . . . 0.0 108.932 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -127.1 147.31 50.17 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 113.757 -1.565 . . . . 0.0 110.277 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.525 ' HA ' ' HA ' ' A' ' 21' ' ' ARG . 42.4 t -99.57 122.16 51.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 171.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -95.41 -178.34 4.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.028 0.442 . . . . 0.0 110.924 -170.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 m -82.26 0.89 39.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.154 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 116.44 17.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.662 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.452 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 88.8 mmm -109.06 152.3 25.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.305 177.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.551 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 42.5 t-80 -120.02 127.52 52.68 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.481 HD22 ' HB1' ' A' ' 87' ' ' ALA . 9.0 mp -104.79 135.19 46.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.607 -174.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.536 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 8.2 tpt180 -136.07 101.41 4.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 171.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 87.0 t80 -129.32 104.66 7.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.939 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.6 103.59 7.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.53 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 63.7 mt -59.8 -33.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.119 -0.696 . . . . 0.0 109.119 174.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -55.01 -56.64 17.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.849 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.92 1.08 50.02 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -78.09 166.17 23.11 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.055 0.455 . . . . 0.0 111.595 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 m -76.53 9.88 2.45 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.247 -176.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.661 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 79.8 mt -63.92 142.62 98.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.69 177.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 18.7 Cg_exo -67.06 136.98 42.83 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.36 2.04 . . . . 0.0 111.379 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.9 -29.18 52.39 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.108 2.538 . . . . 0.0 112.226 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.19 -46.67 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.576 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -77.05 -34.66 57.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.46 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.661 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.2 mttt -61.7 -44.81 96.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.142 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -38.38 79.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.372 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 96.2 mtt180 -63.55 -45.65 89.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 0.0 110.749 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.08 -46.59 83.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.165 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.1 -25.06 67.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.056 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.06 9.12 37.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.838 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.14 159.82 27.27 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.242 0.544 . . . . 0.0 110.311 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -96.64 16.51 18.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.696 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.407 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 9.7 t70 -87.49 160.94 18.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.528 -172.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.9 m -100.92 -15.9 17.38 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.62 -174.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 12.7 mmt180 -75.8 -38.4 58.26 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.67 109.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.655 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.6 161.0 27.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -73.99 -5.74 43.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -169.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -99.17 0.41 43.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.09 50.45 22.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.864 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.408 HG11 HG22 ' A' ' 71' ' ' VAL . 47.4 t -129.39 137.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.779 0.323 . . . . 0.0 110.189 -178.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.527 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.0 mm -104.14 108.34 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.1 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.474 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 34.9 t -126.74 112.53 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.474 HD13 ' C ' ' A' ' 71' ' ' VAL . 8.3 mp -135.09 173.92 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.386 0.612 . . . . 0.0 111.379 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -133.81 107.0 7.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.166 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -93.56 114.87 27.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.679 -171.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -149.08 94.7 2.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.063 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -140.37 -64.19 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.45 175.9 10.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.575 -173.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -57.39 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.925 -177.105 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.4 p -106.89 159.26 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.232 0.539 . . . . 0.0 112.108 -170.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.42 -36.8 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.665 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.29 -50.98 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.05 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.77 -32.88 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.216 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -65.81 -35.54 80.98 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.839 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -60.92 -53.58 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.472 0.654 . . . . 0.0 109.934 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.6 90.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.996 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.54 -53.88 48.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.481 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -60.01 -46.66 88.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.795 -177.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 78.6 mt -63.85 -39.31 93.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 111.371 -178.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.85 -47.86 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 109.859 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.34 -28.3 66.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.235 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.91 -51.64 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.084 0.468 . . . . 0.0 110.218 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 p -64.96 -35.2 80.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.573 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.06 -54.82 40.35 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.083 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 tt -52.0 -47.51 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.908 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -63.23 -52.06 63.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.897 0.379 . . . . 0.0 111.846 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.426 HG13 ' NZ ' ' A' ' 100' ' ' LYS . 40.1 t -73.21 -34.04 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.457 0.646 . . . . 0.0 110.718 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -68.04 -42.17 80.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.502 ' HA ' ' HB3' ' A' ' 101' ' ' LEU . . . -64.43 -14.26 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.754 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.428 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -70.29 -19.27 63.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.426 ' NZ ' HG13 ' A' ' 96' ' ' VAL . 12.1 mptt -95.88 -13.35 24.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.283 0.563 . . . . 0.0 110.134 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.607 HD13 ' HB2' ' A' ' 105' ' ' HIS . 19.7 tp -108.94 147.56 32.04 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.81 -165.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.34 104.3 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.156 -1.054 . . . . 0.0 108.156 174.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 57.45 -162.91 0.19 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.184 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.7 m170 64.89 14.87 9.55 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.807 0.336 . . . . 0.0 111.025 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.607 ' HB2' HD13 ' A' ' 101' ' ' LEU . 48.5 t60 -132.92 153.73 51.11 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -174.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.6 t60 77.69 -42.33 0.37 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.039 0.837 . . . . 0.0 110.012 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -154.43 121.89 5.75 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.847 178.079 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.934 0.397 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 58.5 tp -83.17 95.86 8.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.177 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.0 109.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.033 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.73 -37.74 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.258 0.552 . . . . 0.0 110.101 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -151.79 171.4 17.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.544 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -64.21 -27.77 69.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 0.0 110.205 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -108.01 6.13 26.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.281 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -136.11 118.05 20.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.753 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -133.84 137.26 44.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 67.7 mt -114.61 114.98 44.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.32 145.6 78.24 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.897 2.398 . . . . 0.0 111.924 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -62.69 -29.13 70.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.23 0.538 . . . . 0.0 111.299 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -23.0 66.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.198 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -88.45 8.97 25.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.07 0.462 . . . . 0.0 110.986 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.74 114.92 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.525 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -102.09 118.41 36.83 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.217 0.532 . . . . 0.0 110.522 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.514 ' HG ' ' HE ' ' A' ' 84' ' ' ARG . 3.2 mm? -99.64 110.75 23.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.336 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.564 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -106.41 148.17 28.42 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.524 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.83 132.9 49.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.0 mt -93.5 105.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 109.884 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -75.48 150.94 38.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.667 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -90.81 118.61 30.36 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.339 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.52 140.5 46.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.334 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.486 ' HA3' ' HB ' ' A' ' 30' ' ' VAL . . . -160.97 108.06 0.34 Allowed Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.982 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.31 134.5 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.44 -53.5 0.56 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.931 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.9 -85.73 0.16 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.058 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' A' ' 30' ' ' VAL . 31.9 tp60 -112.41 169.63 8.74 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -175.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.3 t30 72.87 -16.11 0.48 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.191 0.996 . . . . 0.0 111.663 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' HB ' ' HA3' ' A' ' 24' ' ' GLY . 14.1 m -112.93 17.39 7.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 122.024 0.916 . . . . 0.0 109.428 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -99.97 19.9 15.37 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.108 -1.406 . . . . 0.0 109.441 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -90.13 121.6 32.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.344 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -71.18 140.09 18.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.841 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.56 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 13.6 t -84.65 160.21 20.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.167 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.4 m -101.57 7.35 42.28 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.884 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.95 122.4 20.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.627 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.408 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . 93.4 mmm -106.73 148.94 27.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.733 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.564 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 32.1 t-80 -116.05 123.79 48.81 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.073 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.12 131.97 54.66 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.493 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -122.83 119.01 29.29 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.717 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.526 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.1 t80 -127.55 102.3 6.79 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.799 176.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.73 100.54 4.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.386 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.433 HD11 HD12 ' A' ' 70' ' ' ILE . 76.6 mt -58.34 -29.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.808 0.814 . . . . 0.0 109.341 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.73 -48.35 72.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.051 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.17 9.62 42.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -171.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 p -91.48 176.68 6.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.865 0.365 . . . . 0.0 111.294 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -83.86 19.2 1.77 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.642 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.82 126.04 91.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 177.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.33 151.58 66.88 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.921 2.414 . . . . 0.0 112.201 179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.68 -45.32 24.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.757 2.972 . . . . 0.0 113.107 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -54.39 -52.19 62.47 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.041 0.448 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -67.8 -43.61 79.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.003 -178.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.409 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 37.5 ttmt -57.57 -45.54 85.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.093 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.91 -50.05 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.219 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -58.76 -42.13 88.21 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.621 0.768 . . . . 0.0 111.611 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 96.4 mt -66.28 -46.36 77.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.199 0.523 . . . . 0.0 110.865 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.515 HD21 ' HA2' ' A' ' 68' ' ' GLY . 30.5 mt -67.89 -19.05 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.079 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.02 14.75 28.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.446 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.7 mt -81.72 174.97 10.85 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 121.192 0.52 . . . . 0.0 110.481 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.54 16.2 24.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.537 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.63 -175.87 5.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.974 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -127.22 -17.34 4.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.965 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -75.52 -24.68 56.82 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 175.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.8 mt -93.63 112.64 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.841 176.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.6 p -81.49 149.96 28.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.499 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -65.48 -19.4 65.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.32 -23.89 59.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.48 0.657 . . . . 0.0 110.135 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.515 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . 101.86 31.05 5.55 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.849 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.34 128.88 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.526 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 28.6 mm -87.87 115.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.773 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.43 ' C ' HD13 ' A' ' 72' ' ' LEU . 44.0 t -124.29 119.54 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.117 0.485 . . . . 0.0 110.924 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.43 HD13 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -138.17 172.7 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -132.25 109.6 10.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.408 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -84.41 112.79 20.68 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.535 -176.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -142.04 27.36 1.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.006 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.66 -36.68 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.618 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.37 163.65 13.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.643 -177.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -88.17 -32.21 18.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.33 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -85.54 126.85 34.18 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.263 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -58.24 -39.98 80.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.746 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.71 -48.77 58.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.21 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -68.88 -32.84 72.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.66 -36.79 84.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.321 0.581 . . . . 0.0 109.958 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.514 ' HE ' ' HG ' ' A' ' 17' ' ' LEU . 45.0 ttt180 -62.08 -50.59 71.36 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.68 174.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.43 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.571 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 26.1 t70 -58.63 -53.46 58.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.68 78.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.676 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 92.6 mt -66.35 -45.21 80.96 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.004 0.431 . . . . 0.0 110.91 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.42 -41.34 89.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 6.7 ttt180 -62.76 -41.23 99.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.908 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' HG13 ' A' ' 95' ' ' ILE . 52.5 tp -62.11 -52.31 64.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.832 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 p -62.38 -40.29 95.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.184 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.25 -49.53 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.063 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.63 -44.26 93.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.719 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -59.09 -48.02 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.432 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 50.8 t -71.73 -39.6 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -62.82 -41.43 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.442 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.53 73.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.004 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.04 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.82 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 56.7 mtpt -72.48 -21.03 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.37 0.605 . . . . 0.0 110.392 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.51 148.02 24.7 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.167 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -92.91 -47.43 7.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.451 0.643 . . . . 0.0 109.566 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -156.53 -45.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.762 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.453 ' HB3' ' H ' ' A' ' 105' ' ' HIS . 1.3 t60 55.55 -122.88 1.9 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.885 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.453 ' H ' ' HB3' ' A' ' 104' ' ' HIS . 21.5 p80 -174.21 135.78 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -138.07 52.46 1.85 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -73.38 118.11 15.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.084 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.8 p80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.37 -0.824 . . . . 0.0 109.823 -178.618 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.416 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 52.9 ttm . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.841 0.353 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.909 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 6.5 mp -82.47 89.01 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.058 0.456 . . . . 0.0 109.968 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.12 109.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.977 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.5 mt -100.76 -41.39 8.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.307 0.575 . . . . 0.0 109.67 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.707 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 18.6 m -127.73 163.05 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -61.07 -35.99 78.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.817 0.342 . . . . 0.0 110.783 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -108.12 10.74 27.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.105 0.478 . . . . 0.0 110.841 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.707 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 91.0 t -130.25 117.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 110.274 -178.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.416 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 13.5 m80 -133.8 148.9 51.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.985 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.909 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.1 mt -112.64 117.82 46.15 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.75 0.31 . . . . 0.0 110.606 173.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -73.05 142.81 35.1 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.896 2.397 . . . . 0.0 111.89 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.53 -39.21 72.97 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.94 67.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.236 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.17 -5.03 59.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.473 . . . . 0.0 111.161 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -104.96 114.04 43.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.399 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.512 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 5.5 tp10 -92.72 108.59 20.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.004 0.431 . . . . 0.0 110.679 -175.717 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -94.1 110.39 22.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.683 176.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -103.21 157.06 17.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.806 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.35 133.98 55.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.156 0.503 . . . . 0.0 111.364 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.413 HD13 ' HB2' ' A' ' 38' ' ' HIS . 19.3 mt -109.0 168.16 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -131.92 135.06 46.34 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.36 123.57 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -68.45 154.03 42.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.787 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.65 44.85 3.01 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.659 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -157.07 119.24 3.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.04 144.55 4.42 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.323 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.14 69.65 1.56 Allowed Glycine 0 N--CA 1.454 -0.126 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.037 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -160.96 139.87 10.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -70.79 97.82 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.425 0.631 . . . . 0.0 111.015 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.91 99.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.879 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -93.49 19.35 8.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.893 0.854 . . . . 0.0 109.804 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -165.12 144.33 6.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.547 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.06 125.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.92 0.39 . . . . 0.0 110.082 175.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 m -56.81 140.12 48.92 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -53.35 -60.33 3.44 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.821 0.7 . . . . 0.0 110.494 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' ' HB ' ' A' ' 20' ' ' ILE . . . 47.86 85.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 O-C-N 124.222 0.951 . . . . 0.0 113.455 173.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.676 ' HE2' ' HB3' ' A' ' 80' ' ' GLN . 25.8 mtt -100.04 153.48 19.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.58 0.705 . . . . 0.0 110.249 171.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.626 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 37.5 t-80 -114.48 122.37 46.39 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.738 178.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.575 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 mm? -96.83 126.52 42.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.696 -174.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.512 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 60.4 ttt180 -128.89 118.27 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.055 170.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.575 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.7 t80 -130.86 111.58 12.23 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.228 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.12 99.56 7.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.207 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.63 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 59.7 mt -61.16 -34.1 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.012 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.76 -49.77 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.346 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.32 1.83 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.2 p -77.63 161.16 28.02 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -73.51 2.76 7.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.437 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.541 ' HG ' HD22 ' A' ' 10' ' ' LEU . 78.3 mt -62.27 141.43 96.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 111.012 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 16.1 Cg_exo -69.05 153.75 71.66 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.668 2.245 . . . . 0.0 111.286 173.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.63 -27.67 52.24 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.101 2.534 . . . . 0.0 112.433 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.4 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.0 t80 -53.7 -52.44 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.143 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -74.28 -35.64 63.76 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.89 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.63 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.4 mttt -59.07 -42.76 91.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.09 -52.2 66.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.54 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.5 mmm180 -54.76 -39.83 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.582 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 93.2 mt -73.51 -46.32 48.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.335 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.3 tp -64.8 -41.95 95.39 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.13 21.43 1.67 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.199 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 8.2 mt -87.8 175.23 7.93 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.446 0.641 . . . . 0.0 111.255 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -111.2 15.49 21.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.311 1.053 . . . . 0.0 108.735 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.627 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 2.7 t70 -86.51 127.68 34.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.713 -171.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 p -83.66 4.56 28.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.908 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.627 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 4.9 ptp180 -89.83 -6.68 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.9 mt -109.65 130.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.066 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.8 p -90.89 150.64 21.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.574 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 m -64.29 -14.53 56.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.21 -12.72 45.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.507 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 38.69 5.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -124.22 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.732 0.301 . . . . 0.0 110.432 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.575 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.4 mm -95.36 119.19 43.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.797 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.575 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -136.09 118.06 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.458 0.647 . . . . 0.0 110.95 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.1 mp -137.41 176.46 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -124.53 114.76 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.107 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.612 ' HB2' ' HB2' ' A' ' 37' ' ' MET . . . -93.75 102.18 14.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.557 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -136.55 24.18 3.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.815 0.817 . . . . 0.0 109.443 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.58 -57.31 4.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.697 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -83.07 162.37 21.38 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.763 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -71.54 -36.75 71.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.522 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 p -99.57 160.18 14.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.96 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.676 ' HB3' ' HE2' ' A' ' 37' ' ' MET . 92.8 mt-30 -74.99 -44.41 48.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.182 -179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.33 -35.53 81.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.4 -33.08 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 0.0 110.562 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -66.95 -44.73 79.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.256 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.547 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 29.0 ttt-85 -51.17 -53.02 38.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.456 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.98 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.974 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.608 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 17.3 t70 -66.19 -44.29 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.329 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.83 78.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 90.3 mt -64.62 -35.22 80.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.464 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 89' ' ' LEU . 0.3 OUTLIER -69.53 -39.59 77.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.447 178.674 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.608 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 23.6 mmt180 -66.26 -34.14 77.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.44 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.42 -50.83 66.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -66.62 -40.66 88.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 3.5 tm-20 -55.41 -48.27 74.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.002 175.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.471 HD11 HH11 ' A' ' 63' ' ' ARG . 62.5 tp -56.14 -44.74 79.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.622 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.02 -46.78 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.777 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.68 -37.38 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.166 0.508 . . . . 0.0 110.165 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.422 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 3.3 t-20 -61.41 -45.33 94.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.615 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.436 ' HB1' HD13 ' A' ' 59' ' ' LEU . . . -66.76 -24.24 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.7 24.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -94.8 -26.66 16.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 111.444 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.2 mt -117.09 168.54 10.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.594 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 103' ' ' HIS . 33.1 tt0 -121.75 123.02 40.83 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.326 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 43.5 m80 77.35 -41.97 0.38 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.508 0.723 . . . . 0.0 111.758 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 70.12 100.22 0.06 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -175.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -69.25 114.18 7.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.804 -170.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -165.92 138.97 4.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 170.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -94.03 90.54 6.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.275 0.559 . . . . 0.0 111.7 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.3 t60 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.231 -0.89 . . . . 0.0 108.811 176.287 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.647 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 48.2 tp -93.89 98.13 10.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.9 t -87.46 110.63 20.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.33 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -95.99 -38.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.444 0.64 . . . . 0.0 110.03 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -151.11 176.25 11.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.224 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.88 -42.27 93.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.859 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.24 10.16 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.185 0.517 . . . . 0.0 110.787 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.472 HG21 ' HH ' ' A' ' 52' ' ' TYR . 60.2 t -128.84 118.01 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.079 0.466 . . . . 0.0 110.727 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -133.13 152.56 51.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.508 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.647 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.2 mt -123.44 132.63 24.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 13.2 Cg_exo -69.6 135.44 30.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.749 2.299 . . . . 0.0 112.165 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.55 -39.66 77.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.101 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -26.33 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.869 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -87.33 6.73 32.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -116.52 118.87 60.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.553 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 13.4 tp10 -99.3 108.76 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.018 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.7 110.64 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.948 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.55 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -115.91 153.09 32.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.211 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.43 126.75 53.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.711 0.291 . . . . 0.0 110.666 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.85 119.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 110.574 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -90.36 145.13 25.19 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.121 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.86 147.55 24.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.257 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -80.75 141.65 34.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.44 56.99 0.78 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.64 171.26 14.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 -177.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.57 -91.5 1.68 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.649 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.49 -147.98 7.6 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.629 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.475 ' C ' ' H ' ' A' ' 30' ' ' VAL . 18.6 pt20 -104.13 -175.82 2.91 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 t30 70.43 -15.35 0.36 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.749 0.656 . . . . 0.0 111.748 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 ' H ' ' C ' ' A' ' 28' ' ' GLN . 10.4 m -90.26 64.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.081 0.943 . . . . 0.0 110.812 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -135.97 18.53 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.55 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -88.95 142.58 27.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.01 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.9 127.66 37.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -80.26 157.74 26.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.075 0.464 . . . . 0.0 111.099 -173.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.452 ' HA ' ' HB2' ' A' ' 80' ' ' GLN . 43.3 m -98.72 7.47 46.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.106 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.58 117.16 18.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.41 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mtp -99.12 147.78 24.73 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.486 0.66 . . . . 0.0 111.261 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.55 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 19.2 t-80 -107.69 126.83 53.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.782 174.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.6 tp -120.73 128.7 53.18 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.194 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 29.3 ttt180 -121.3 113.26 19.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.08 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -110.95 105.74 14.62 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.558 ' O ' ' HB3' ' A' ' 46' ' ' SER . 8.5 t70 -74.19 120.25 19.5 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.26 -174.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 62.8 mt -80.24 -37.34 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.64 -57.66 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.252 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.05 13.94 15.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.215 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.558 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 83.0 p -68.37 146.11 53.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.651 0.262 . . . . 0.0 110.793 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 m -75.96 15.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.75 0.31 . . . . 0.0 111.628 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 87.5 mt -80.35 124.04 82.67 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.451 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.473 ' HD2' ' CD1' ' A' ' 52' ' ' TYR . 73.1 Cg_exo -51.13 160.58 2.01 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.335 2.69 . . . . 0.0 112.87 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.89 -31.43 33.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.363 2.708 . . . . 0.0 112.601 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.76 -50.05 66.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.473 ' CD1' ' HD2' ' A' ' 49' ' ' PRO . 95.6 m-85 -69.98 -40.98 75.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.55 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.504 ' HE3' ' O ' ' A' ' 43' ' ' ILE . 42.3 mmtm -50.28 -53.14 30.59 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.328 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -55.82 -47.33 77.39 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 112.105 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 16.6 mmt-85 -60.49 -39.61 88.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.605 0.24 . . . . 0.0 111.633 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.8 -47.76 43.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.64 -27.96 69.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.078 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.29 16.05 25.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.07 157.58 18.28 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -100.42 16.0 25.99 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.029 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.24 144.36 27.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.436 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 m -76.58 -14.63 59.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.687 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -67.62 -26.33 66.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.114 176.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.4 mm -77.99 115.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.052 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.2 p -106.92 159.67 16.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.208 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -70.55 -25.86 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.508 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -70.04 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 109.647 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 39.39 5.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.597 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.459 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 59.1 t -141.06 137.74 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 40.9 mm -84.26 109.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.2 t -117.54 126.49 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.385 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.22 163.08 34.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 111.151 177.309 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -136.98 106.47 6.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.157 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.99 114.31 27.13 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -168.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -121.16 30.29 6.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 166.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -57.18 -40.8 78.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.26 -1.337 . . . . 0.0 111.045 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.415 ' HD1' ' H ' ' A' ' 79' ' ' THR . 3.8 t80 -102.1 160.99 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.8 -41.61 95.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.75 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.415 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 3.3 p -101.93 145.37 29.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.692 -176.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.452 ' HB2' ' HA ' ' A' ' 35' ' ' SER . 8.3 tt0 -69.46 -36.87 77.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.086 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.453 ' H ' ' CD ' ' A' ' 81' ' ' GLU . 1.4 mp0 -58.59 -37.83 76.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.658 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -75.1 -38.92 61.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.243 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.91 -39.74 75.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.939 0.4 . . . . 0.0 110.346 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -55.9 -57.32 12.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.215 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.66 -34.73 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.434 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.02 -53.1 59.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.792 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.76 92.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.617 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.94 -35.27 79.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -53.14 46.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.849 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -67.5 -28.49 67.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.726 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.56 -50.85 70.98 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -65.34 -36.57 84.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.295 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.02 -47.82 81.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.877 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.72 -40.58 75.94 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.311 0.382 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.61 -48.9 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.482 HG11 ' HE2' ' A' ' 100' ' ' LYS . 36.5 t -76.46 -34.17 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.255 0.55 . . . . 0.0 110.105 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -53.39 -54.82 31.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.374 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.35 64.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.722 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.472 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -72.44 -23.8 61.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.339 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.482 ' HE2' HG11 ' A' ' 96' ' ' VAL . 66.1 mttm -85.69 -26.52 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 111.295 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.18 114.94 21.04 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.934 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -87.98 -66.27 0.93 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.229 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -127.82 83.22 2.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.989 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -139.54 115.92 10.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.152 0.501 . . . . 0.0 111.878 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -94.29 165.18 12.72 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 170.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 65.27 94.45 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.674 0.609 . . . . 0.0 111.036 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -120.06 6.9 10.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.406 0.622 . . . . 0.0 109.568 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.839 177.687 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.401 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 56.4 ttp . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.083 0.468 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 58.8 tp -88.15 99.97 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.632 -178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.28 109.89 18.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.978 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -79.9 -43.08 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.633 0.73 . . . . 0.0 109.938 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -151.5 172.47 15.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.731 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -45.69 -46.69 15.0 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -176.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -106.25 13.79 28.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.62 117.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 22.8 m80 -131.4 135.77 47.46 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.899 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.0 mt -113.07 104.57 55.82 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.77 145.52 89.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.871 2.381 . . . . 0.0 112.149 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.91 -40.82 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.308 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.2 -29.84 70.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.824 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -89.44 2.25 54.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 111.587 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.404 HG21 ' HG ' ' A' ' 17' ' ' LEU . 58.5 mt -100.18 102.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.485 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.482 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.5 tp10 -81.99 104.24 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 110.301 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.435 HD23 ' HG ' ' A' ' 39' ' ' LEU . 90.4 mt -110.38 134.61 52.14 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.629 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.92 156.17 47.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.54 127.76 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -89.11 112.43 24.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -76.28 155.13 34.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.981 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.65 109.36 16.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.33 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -97.3 141.19 30.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.277 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' HA3' HG22 ' A' ' 30' ' ' VAL . . . -130.51 124.85 4.4 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.806 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.7 156.24 28.57 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.705 -0.248 . . . . 0.0 110.584 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.26 -143.25 15.86 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.84 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.6 49.54 0.92 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.78 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -124.29 156.57 36.71 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -68.95 105.52 2.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.379 0.609 . . . . 0.0 111.281 -176.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 ' HA3' ' A' ' 24' ' ' GLY . 4.1 m -131.5 89.63 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.738 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -131.61 17.83 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.504 0.668 . . . . 0.0 110.474 -173.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -106.13 139.7 40.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.078 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.77 24.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.71 0.767 . . . . 0.0 111.372 -172.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.9 t 64.0 167.68 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.858 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.546 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 44.6 m -134.69 7.44 3.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.863 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.99 102.65 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.32 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.4 mmm -96.62 141.44 29.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.788 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -119.21 126.93 52.71 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.682 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.435 ' HG ' HD23 ' A' ' 17' ' ' LEU . 8.3 mp -115.36 136.88 52.63 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.79 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.482 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 26.7 ttt180 -126.32 124.54 40.51 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.242 173.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -121.0 100.46 7.09 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.868 0.365 . . . . 0.0 110.064 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.89 92.72 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.194 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 56' ' ' LEU . 64.6 mt -57.43 -37.12 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.634 . . . . 0.0 110.261 178.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.89 -44.59 72.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.3 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.68 -22.81 25.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.4 p -61.81 161.89 9.61 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 p -88.28 23.19 2.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.923 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.55 148.13 98.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.137 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.4 141.27 95.19 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.604 2.203 . . . . 0.0 111.492 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.538 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 9.5 Cg_endo -50.94 -38.79 59.2 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.432 2.755 . . . . 0.0 112.895 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -55.37 -49.15 73.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.204 0.526 . . . . 0.0 111.185 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -70.83 -36.67 73.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.941 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 94.0 mttt -58.87 -41.64 87.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.965 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.538 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 48.1 mt-10 -59.74 -46.03 90.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 111.002 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -62.35 -36.13 81.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.402 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 95' ' ' ILE . 94.4 mt -73.3 -46.16 51.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.154 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 89.9 mt -63.1 -39.13 93.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 179.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.8 45.3 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.466 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -84.64 -173.17 4.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.066 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -114.47 16.29 17.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.14 173.23 9.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.76 -176.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -119.76 -16.88 8.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.694 -175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 63' ' ' ARG . 55.9 mtt-85 -94.07 -14.99 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.93 114.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.183 170.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.62 162.29 24.3 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -176.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -86.72 10.42 15.85 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -166.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.75 0.11 23.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.541 0.686 . . . . 0.0 109.374 173.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.12 53.67 2.0 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.407 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.34 135.27 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 110.778 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.96 133.09 41.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.386 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.2 129.87 57.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.73 -177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -141.58 164.44 30.22 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -142.57 106.38 4.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.726 0.774 . . . . 0.0 109.956 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.78 102.0 14.7 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.495 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -132.77 46.75 2.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.141 177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.65 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -108.35 -43.06 4.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.301 -173.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.35 168.84 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.99 -175.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 78' ' ' ARG . 40.1 ttt-85 -68.89 -42.91 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -173.211 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.8 p -108.93 157.88 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.81 0.338 . . . . 0.0 111.455 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.546 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.0 mt-30 -63.84 -43.37 96.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.424 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -62.36 -37.4 85.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.555 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -70.61 -39.7 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.894 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -66.75 -37.32 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.197 0.523 . . . . 0.0 109.828 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HE ' HD12 ' A' ' 17' ' ' LEU . 36.9 ttt180 -62.88 -48.8 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.194 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.53 89.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.065 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.47 -52.74 63.58 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.18 0.514 . . . . 0.0 110.874 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.26 91.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.45 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.97 -42.26 94.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.865 0.365 . . . . 0.0 111.103 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.23 -51.56 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.296 0.57 . . . . 0.0 109.536 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -62.66 -42.78 99.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.16 -48.17 81.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.298 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -63.23 -39.4 94.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.765 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.09 -43.74 81.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.129 0.49 . . . . 0.0 109.956 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.45 -44.1 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.459 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.523 ' HA ' HD23 ' A' ' 56' ' ' LEU . 70.7 mt -57.96 -49.27 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.108 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.44 -41.46 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.111 0.481 . . . . 0.0 110.417 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.443 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.2 t-20 -63.43 -34.58 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.791 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.17 70.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.72 62.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.32 -21.25 18.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.538 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 78.1 mt -83.17 109.74 17.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.959 -173.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -80.2 98.62 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.599 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -67.32 107.31 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.97 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -84.53 82.63 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.446 0.641 . . . . 0.0 110.715 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.459 ' HD1' ' C ' ' A' ' 108' ' ' HIS . 26.8 t-80 -176.16 130.46 0.23 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 174.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -76.17 142.97 41.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.888 0.375 . . . . 0.0 111.103 -172.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 69.12 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.554 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . 0.459 ' C ' ' HD1' ' A' ' 105' ' ' HIS . 84.2 m-70 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.266 -178.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.65 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -95.59 100.83 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.748 -176.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.16 110.48 20.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.177 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.1 mt -94.34 -65.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.059 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -127.92 -170.71 2.29 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -66.8 -45.39 78.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -96.77 2.38 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.174 0.512 . . . . 0.0 111.459 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -125.19 116.89 48.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.071 0.462 . . . . 0.0 110.684 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -135.48 141.39 45.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.65 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 69.7 mt -106.9 101.92 39.81 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-O 120.856 0.36 . . . . 0.0 110.09 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.92 147.31 95.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.445 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.75 -33.69 64.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -25.18 67.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.494 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.39 -4.51 58.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.224 0.535 . . . . 0.0 110.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.513 HG23 ' HG ' ' A' ' 17' ' ' LEU . 45.2 mm -115.13 121.71 67.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.494 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.538 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 31.5 tt0 -101.7 95.35 6.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 0.0 109.934 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.513 ' HG ' HG23 ' A' ' 15' ' ' ILE . 94.9 mt -100.31 109.36 21.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.69 126.96 55.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.907 0.384 . . . . 0.0 111.276 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.98 120.0 32.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.302 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mt -117.54 160.17 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -91.97 -168.71 2.07 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.67 137.67 24.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.107 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.551 ' HA ' HG23 ' A' ' 30' ' ' VAL . 65.0 tt0 -88.11 133.39 34.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.27 0.557 . . . . 0.0 109.829 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.5 90.53 1.34 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.055 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.24 114.16 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.34 0.67 . . . . 0.0 111.389 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.77 -3.09 8.05 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.47 52.08 11.12 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.358 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -90.97 5.92 46.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.662 0.267 . . . . 0.0 111.211 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 57.84 91.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.01 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 23' ' ' GLN . 2.5 m -90.1 87.8 2.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.688 0.756 . . . . 0.0 111.581 -176.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -97.74 18.3 16.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.043 0.925 . . . . 0.0 109.113 175.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -117.98 154.83 31.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.839 -177.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.2 p -86.39 137.77 20.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.128 0.489 . . . . 0.0 110.444 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m -103.91 164.41 11.71 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.803 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -90.57 29.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.007 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.2 114.72 25.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.191 0.52 . . . . 0.0 111.396 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.721 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 70.4 mtp -114.57 154.48 28.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.111 0.481 . . . . 0.0 111.003 174.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -123.9 131.49 53.59 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.3 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.7 mp -113.57 139.95 48.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.268 177.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.538 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 38.9 ttt180 -144.54 107.51 4.5 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.522 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.5 t80 -123.34 112.98 18.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.091 0.472 . . . . 0.0 111.101 -176.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' A' ' 46' ' ' SER . 1.2 m-20 -75.03 97.77 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.472 176.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.21 -34.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -43.67 92.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.485 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.68 15.99 25.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 96.3 p -72.47 177.05 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 111.367 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -85.84 3.57 41.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.518 HD11 HD22 ' A' ' 10' ' ' LEU . 8.9 mp -68.43 136.97 90.96 Favored Pre-proline 0 CA--C 1.521 -0.172 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.586 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.75 145.64 89.2 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.602 2.201 . . . . 0.0 111.311 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.99 -37.56 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.684 2.923 . . . . 0.0 113.147 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.517 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 88.6 t80 -57.82 -54.08 50.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.472 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 39.6 ttmt -59.54 -46.5 88.68 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.966 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.49 -45.62 91.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.623 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 51' ' ' PHE . 57.4 mtp85 -58.74 -43.79 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.17 -45.42 85.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 0.0 111.085 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 73.4 mt -60.76 -29.04 69.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.96 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.44 31.58 5.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.816 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 59' ' ' LEU . 8.0 mt -87.59 170.05 11.63 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.023 0.44 . . . . 0.0 111.056 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.92 16.06 25.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.647 0.737 . . . . 0.0 109.128 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.8 165.47 22.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.995 -174.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -105.9 -12.27 15.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.132 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -39.57 15.22 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.0 mt -84.38 118.13 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.088 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.1 p -87.53 156.22 19.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.447 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 m -69.6 -7.61 40.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.79 -18.77 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.318 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.404 ' HA2' ' CD2' ' A' ' 57' ' ' LEU . . . 105.0 13.76 24.46 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.594 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.47 135.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.564 HG12 HD11 ' A' ' 72' ' ' LEU . 12.0 tt -99.72 120.6 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.104 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.564 HD11 HG12 ' A' ' 70' ' ' ILE . 4.0 mp -136.99 160.46 38.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.238 0.542 . . . . 0.0 110.251 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -130.35 104.85 7.51 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.721 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -87.86 101.8 14.08 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.404 -174.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.1 87.23 1.26 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.195 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -139.5 -42.42 0.45 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.85 178.15 8.31 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.256 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -70.55 -43.24 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.808 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.4 p -112.7 161.14 17.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.842 0.353 . . . . 0.0 111.5 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -67.92 -35.49 78.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.552 0.692 . . . . 0.0 109.268 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.47 -37.68 78.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.887 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -75.5 -40.43 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.511 ' HB3' ' HB2' ' A' ' 74' ' ' ALA . 91.3 m-20 -63.39 -34.42 77.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.241 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.461 ' HG3' ' HE1' ' A' ' 37' ' ' MET . 21.4 ttt180 -55.31 -48.69 73.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.744 175.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.43 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.516 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.66 -49.43 76.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 0.0 110.354 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.71 99.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.89 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.8 -37.71 85.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.95 -43.12 83.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.3 0.572 . . . . 0.0 109.753 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 90' ' ' ARG . 3.8 ttt180 -61.17 -41.42 96.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.793 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.3 tp -58.63 -51.41 70.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.628 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 m -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.893 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -59.21 -41.07 87.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.505 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.29 -47.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -47.81 85.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.29 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -66.71 -38.3 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.329 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.61 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.712 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.83 71.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.441 ' HD2' ' N ' ' A' ' 100' ' ' LYS . 0.7 OUTLIER -96.01 -20.41 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.266 -179.069 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.11 125.01 33.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.549 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.68 14.57 4.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.133 0.492 . . . . 0.0 111.004 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -144.15 178.68 7.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.367 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -60.48 -50.88 71.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.9 t60 68.12 -69.12 0.15 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.684 0.615 . . . . 0.0 110.645 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.505 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 4.2 t60 178.02 -101.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 177.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 106' ' ' HIS . 17.7 t-80 171.91 -65.62 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.77 0.669 . . . . 0.0 109.248 171.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.442 -0.789 . . . . 0.0 109.559 174.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.894 0.378 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.75 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 3.8 mm? -97.17 103.3 15.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.208 0.528 . . . . 0.0 110.168 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -80.67 110.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.982 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -93.73 -41.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.283 0.563 . . . . 0.0 110.032 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 t -148.52 -177.2 5.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.154 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.08 -48.29 80.59 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.153 0.283 . . . . 0.0 111.489 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -111.89 19.26 18.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.37 0.605 . . . . 0.0 110.581 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.49 118.49 53.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -139.06 143.53 38.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.583 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.75 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 76.4 mt -109.45 103.62 53.24 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.78 140.11 78.45 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.678 2.252 . . . . 0.0 111.486 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.12 -39.04 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.16 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.82 -27.42 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.632 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -84.63 0.12 51.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -113.66 118.37 58.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.425 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.549 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.6 tp10 -73.86 103.74 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.958 0.409 . . . . 0.0 110.334 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.2 111.27 23.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.109 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.63 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.2 m -119.86 158.77 25.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.214 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.01 134.02 52.58 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.522 HD13 ' HB2' ' A' ' 38' ' ' HIS . 53.9 mt -106.13 99.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.875 0.369 . . . . 0.0 110.055 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -80.43 128.76 33.95 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.06 113.19 25.26 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.183 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -73.96 132.65 42.64 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.913 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.33 -100.79 2.12 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.338 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 69.37 106.5 0.06 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.161 0.584 . . . . 0.0 110.676 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.39 -143.29 3.97 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.674 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.69 -42.33 47.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.111 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -97.86 120.39 38.16 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -54.85 142.59 28.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.21 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 p -112.35 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.205 1.002 . . . . 0.0 111.626 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -111.58 13.87 21.3 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.478 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -108.71 114.21 27.82 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.057 -1.428 . . . . 0.0 110.032 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' O ' ' HB3' ' A' ' 34' ' ' SER . 7.3 p -84.62 32.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.742 0.782 . . . . 0.0 110.981 -173.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 40.4 t 66.32 166.61 0.21 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.378 -177.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.523 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 12.2 p -123.55 10.19 9.09 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.822 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.486 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -84.51 116.74 23.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.017 -172.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.537 ' HB2' ' HB1' ' A' ' 74' ' ' ALA . 2.2 mmt -100.66 145.6 28.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.04 172.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.63 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 34.3 t-80 -115.56 123.36 48.28 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.94 124.44 47.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.416 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.549 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 19.8 ttt180 -118.92 113.3 20.81 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 171.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -113.46 104.89 12.73 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.086 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.82 100.13 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.154 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.21 -38.17 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.252 0.548 . . . . 0.0 109.911 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -56.42 -52.07 66.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.594 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.69 14.46 31.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -170.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 p -96.39 161.37 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.152 -0.343 . . . . 0.0 110.754 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -78.73 41.51 0.42 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.052 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.527 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 58.6 mt -86.48 147.96 45.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.25 141.95 48.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.476 2.118 . . . . 0.0 111.477 173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 78.2 Cg_exo -51.38 -38.63 63.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.407 2.738 . . . . 0.0 113.39 -177.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -53.6 -50.54 65.42 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.262 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -72.36 -31.82 65.94 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.274 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.527 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 93.0 mttt -63.99 -40.09 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.31 -46.91 88.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.664 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 13.9 mmt180 -64.91 -34.79 79.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -177.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.498 HD21 ' HA ' ' A' ' 95' ' ' ILE . 93.1 mt -66.75 -45.09 79.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.7 mt -70.13 -17.64 63.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.598 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.92 5.61 49.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.432 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.39 153.17 23.59 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 110.086 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.429 ' OD1' ' HB2' ' A' ' 107' ' ' HIS . 8.4 t-20 -96.77 16.11 20.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.631 0.729 . . . . 0.0 109.767 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -83.78 133.73 34.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.51 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.489 ' HB2' ' CE1' ' A' ' 107' ' ' HIS . 23.2 t -84.31 -3.6 58.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -86.44 -15.15 41.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.449 HG12 HD13 ' A' ' 70' ' ' ILE . 64.4 mt -81.03 108.24 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.637 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -76.16 156.87 33.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.269 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 m -61.88 -25.99 67.88 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -73.41 -14.96 61.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.44 42.32 7.95 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.467 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.1 t -124.0 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.816 0.341 . . . . 0.0 110.49 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.537 HG23 HD12 ' A' ' 72' ' ' LEU . 48.4 mm -102.51 115.49 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.017 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.21 126.13 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.08 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.537 HD12 HG23 ' A' ' 70' ' ' ILE . 3.0 mp -125.47 157.15 37.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.543 0.687 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.82 104.84 7.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.472 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.537 ' HB1' ' HB2' ' A' ' 37' ' ' MET . . . -88.15 100.02 12.64 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.898 -178.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -146.66 76.21 1.42 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -140.92 -37.32 0.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.77 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.4 164.64 19.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.86 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -68.38 -40.08 81.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.726 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.6 p -113.57 151.74 31.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 111.522 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.523 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 50.6 mt-30 -61.23 -36.67 80.58 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.941 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.32 -50.77 72.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.272 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -66.53 -37.08 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.933 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.1 -40.31 97.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.274 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -62.49 -47.74 82.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.116 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.56 93.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.371 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.493 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 31.7 t70 -64.75 -49.51 70.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.371 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.01 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.784 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.66 -38.05 89.65 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.857 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.3 tp -69.77 -39.71 76.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.269 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 28.0 mtp180 -67.58 -39.16 84.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.083 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.76 -51.38 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.912 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 p -66.51 -42.9 86.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.442 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.29 -42.6 98.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.161 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.53 -42.25 82.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.728 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.498 ' HA ' HD21 ' A' ' 56' ' ' LEU . 67.0 mt -60.74 -43.8 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.01 -34.64 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.309 0.576 . . . . 0.0 110.195 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.428 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 2.4 t-20 -64.4 -41.95 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.48 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -35.27 68.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.004 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.464 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -70.61 -18.62 62.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.917 0.389 . . . . 0.0 111.038 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.684 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -95.38 -16.16 22.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 110.79 -178.824 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 87.1 mt -97.62 126.77 43.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.03 -173.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -123.28 69.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.846 0.832 . . . . 0.0 110.07 167.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -85.44 106.7 16.99 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -60.92 -77.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.944 -166.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -168.83 122.37 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.548 0.69 . . . . 0.0 112.232 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -140.85 31.86 1.81 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.489 ' CE1' ' HB2' ' A' ' 62' ' ' SER . 6.3 t60 -70.18 151.72 45.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.86 -1.518 . . . . 0.0 111.328 -170.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.674 173.279 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.501 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 59.8 tp -86.39 96.41 10.0 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.64 110.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.752 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.0 mt -99.03 -41.63 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.382 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -153.26 -175.22 5.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.883 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.93 12.39 27.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.398 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.73 117.19 49.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.524 . . . . 0.0 110.357 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -141.09 138.91 33.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.429 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.501 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 66.1 mt -118.16 123.21 29.63 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.583 0.23 . . . . 0.0 110.742 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.472 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 32.3 Cg_exo -61.96 141.11 88.21 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.523 2.149 . . . . 0.0 111.362 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -55.96 -39.98 72.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.936 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -20.32 62.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.975 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.472 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 28.4 mt-10 -84.13 2.15 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 0.0 111.01 -177.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -118.19 114.15 44.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.452 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.584 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 29.4 tt0 -79.97 106.73 12.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.885 0.374 . . . . 0.0 110.034 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -95.09 108.56 20.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.45 167.53 16.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.28 146.61 46.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.545 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.5 mt -104.88 112.02 36.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -97.68 128.17 44.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.979 -176.495 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' O ' ' HD3' ' A' ' 21' ' ' ARG . . . -58.86 139.27 56.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.203 -174.635 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.71 -175.82 2.96 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.966 178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.87 -147.59 11.0 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.505 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.61 96.88 3.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.022 0.439 . . . . 0.0 110.477 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.64 -49.77 3.95 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.379 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.38 1.63 27.87 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.3 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -88.86 5.08 45.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.84 0.829 . . . . 0.0 110.187 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -114.41 -8.93 12.8 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.966 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 m -117.37 73.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.629 0.728 . . . . 0.0 111.447 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -96.26 16.71 17.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.84 0.828 . . . . 0.0 109.497 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -103.56 139.38 38.95 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.55 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 p -82.95 138.01 20.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.949 0.404 . . . . 0.0 110.034 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -91.31 153.54 19.86 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.745 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 p -84.82 -11.35 55.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.18 107.35 1.03 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.937 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.5 mmm -96.23 147.41 23.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.057 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -109.15 122.82 48.12 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.542 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 3.5 mm? -111.69 130.12 55.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.558 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.584 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 42.8 ttt180 -137.92 106.91 5.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.01 124.28 50.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -90.48 107.35 19.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.099 0.476 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 56' ' ' LEU . 35.8 mt -78.04 -24.22 13.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.417 0.627 . . . . 0.0 110.037 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.24 -52.1 56.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.905 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.6 12.73 18.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 p -74.92 172.55 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.864 0.302 . . . . 0.0 111.186 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.93 16.19 1.25 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.89 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.536 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 52.1 mt -76.12 135.14 70.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.767 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.4 147.45 94.01 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.72 2.28 . . . . 0.0 111.566 176.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.0 -33.14 33.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.485 2.79 . . . . 0.0 113.041 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.578 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 78.6 t80 -55.14 -53.19 59.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.767 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -67.78 -36.33 80.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.952 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.536 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 96.1 mttt -58.86 -51.64 69.14 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.948 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.35 -41.51 69.19 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 123.315 0.385 . . . . 0.0 111.934 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.578 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 7.0 mmm180 -58.03 -51.26 70.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 111.065 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.415 ' HB3' HD12 ' A' ' 43' ' ' ILE . 87.9 mt -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.836 -177.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.67 -22.5 65.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.072 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.02 14.06 31.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.429 ' HG ' ' H ' ' A' ' 61' ' ' ASP . 22.4 tp -86.92 144.71 26.84 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.78 15.22 13.34 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.622 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.498 ' HB3' HG12 ' A' ' 64' ' ' ILE . 10.8 t70 -70.17 132.16 45.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.414 -176.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 m -62.93 -19.21 64.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.424 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -83.07 -8.54 59.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.85 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.498 HG12 ' HB3' ' A' ' 61' ' ' ASP . 49.3 mm -93.54 120.67 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.929 177.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -94.08 160.5 14.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.637 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -70.03 -14.64 62.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.489 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.37 -14.05 59.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.054 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.85 28.49 15.63 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.07 136.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 tt -107.91 127.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.03 0.443 . . . . 0.0 109.809 174.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.81 133.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.489 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.8 mp -132.81 159.45 39.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 110.411 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -131.94 108.48 9.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.009 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.36 101.85 13.6 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.823 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -129.96 26.2 5.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.606 0.717 . . . . 0.0 109.428 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.36 -51.66 34.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.088 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -92.99 165.02 13.06 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.354 0.597 . . . . 0.0 112.578 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.467 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.3 p -105.34 163.27 12.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.565 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -75.57 -33.15 60.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.377 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.71 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.366 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.39 -39.5 85.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -36.42 83.16 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.713 0.292 . . . . 0.0 110.667 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -65.87 -52.53 49.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.026 0.441 . . . . 0.0 110.218 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.44 87.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.591 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.34 -51.49 51.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.91 87.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.701 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.32 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.684 0.278 . . . . 0.0 111.187 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.71 -46.62 52.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 19.7 mtt180 -64.33 -35.03 79.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.392 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.15 -51.1 61.08 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.126 0.489 . . . . 0.0 110.922 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 p -62.62 -41.93 99.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.2 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.71 -40.93 97.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.195 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.03 -38.26 70.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 111.296 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.12 -44.05 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.745 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.96 -33.28 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.408 0.623 . . . . 0.0 110.113 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.69 -35.74 73.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.511 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.46 -23.73 67.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.07 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.49 -9.45 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -85.67 -20.41 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.339 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.38 -167.21 1.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.396 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -77.65 -164.72 0.53 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.126 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.495 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 43.3 m80 -53.41 -87.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.788 0.68 . . . . 0.0 112.101 -175.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.495 ' HB3' ' O ' ' A' ' 103' ' ' HIS . 49.2 p-80 168.99 37.1 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.893 0.477 . . . . 0.0 110.379 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -132.62 147.47 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.87 0.367 . . . . 0.0 111.374 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -179.15 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.896 174.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -132.62 -37.23 1.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.893 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.398 177.738 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.042 0.449 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.579 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.6 tp -96.95 99.81 11.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.296 0.57 . . . . 0.0 109.856 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -80.39 110.69 16.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.238 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.0 mt -88.1 -41.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.126 0.489 . . . . 0.0 110.043 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -154.82 175.5 13.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -61.33 -32.85 72.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -103.89 9.74 36.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.689 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -136.55 118.19 19.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.872 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -132.2 136.02 46.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.933 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 80.4 mt -108.45 105.51 56.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.305 175.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -64.17 141.8 77.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.991 2.461 . . . . 0.0 112.331 177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.85 -41.62 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.641 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.73 67.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.598 -176.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -89.45 3.72 51.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.242 0.544 . . . . 0.0 111.106 -175.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.0 mt -119.47 121.8 67.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.573 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.569 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 14.8 tp10 -99.43 109.05 21.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.878 0.371 . . . . 0.0 110.404 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.41 123.87 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.611 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -126.26 157.78 37.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.384 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.97 135.1 54.29 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.422 ' O ' ' HB2' ' A' ' 34' ' ' SER . 60.6 mt -98.19 103.42 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -103.31 122.94 45.84 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.503 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.49 145.46 27.4 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.019 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -102.76 154.88 18.73 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.293 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.84 -65.49 2.2 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.578 -176.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.13 174.32 0.21 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.21 0.604 . . . . 0.0 111.105 -177.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.0 -117.04 10.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.162 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -106.77 36.15 4.58 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.988 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? 72.48 126.92 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.713 0.805 . . . . 0.0 110.869 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -158.81 88.18 0.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.63 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -128.25 112.86 28.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.789 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -99.57 46.0 0.98 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.723 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 72.3 170.28 0.32 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.181 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.83 132.22 6.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 121.327 0.585 . . . . 0.0 111.23 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.422 ' HB2' ' O ' ' A' ' 20' ' ' ILE . 6.7 m -71.84 155.71 40.11 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.345 -177.136 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.48 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 17.9 p -103.83 12.3 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.709 -176.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 126.76 35.76 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.153 0.501 . . . . 0.0 110.421 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.7 mtp -106.99 152.8 23.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.756 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.611 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 46.7 t-80 -120.92 122.91 41.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.81 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.56 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . 8.9 mp -114.06 133.08 55.76 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.569 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.1 ttt180 -122.34 109.63 14.67 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.394 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 71.1 t80 -109.37 109.21 20.02 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.02 87.33 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.878 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.53 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 56.9 mt -56.37 -40.44 66.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.264 0.554 . . . . 0.0 110.197 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -56.49 -52.6 64.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.06 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.34 -22.2 35.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.409 -172.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -59.5 160.26 7.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.221 0.534 . . . . 0.0 112.001 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 t -81.29 14.3 2.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.597 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.567 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 60.9 mt -62.89 141.73 97.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.138 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.25 150.41 88.66 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.677 2.251 . . . . 0.0 111.88 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.8 -39.33 77.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.387 2.725 . . . . 0.0 113.006 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.18 -46.52 68.99 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.26 0.552 . . . . 0.0 111.119 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.08 -44.41 65.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.577 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 97.9 mttt -59.89 -53.33 59.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.631 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -55.5 -44.16 76.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -71.43 -31.65 67.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.465 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -73.31 -45.32 56.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.581 . . . . 0.0 110.667 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 89.8 mt -59.36 -40.11 85.41 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.19 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.22 31.16 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.092 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.9 tp -83.73 161.73 20.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.498 ' OD1' ' HA ' ' A' ' 106' ' ' HIS . 9.0 t30 -84.88 4.9 31.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.624 0.726 . . . . 0.0 110.242 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.44 ' OD1' ' HB2' ' A' ' 63' ' ' ARG . 7.3 t70 -84.92 117.97 24.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.229 -175.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m -76.31 0.29 19.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.173 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.44 ' HB2' ' OD1' ' A' ' 61' ' ' ASP . 17.0 mtm180 -92.57 -6.17 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.0 109.931 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.8 mt -98.8 115.11 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.184 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 p -76.9 154.43 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.267 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -74.19 0.26 14.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.426 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.26 -5.53 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.465 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.18 34.88 7.32 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.897 176.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.16 131.72 65.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.51 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 13.3 tt -104.24 129.19 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 110.052 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.6 t -118.94 132.12 69.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.56 ' HG ' ' HB2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -141.81 159.08 42.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.43 0.633 . . . . 0.0 111.383 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -127.48 105.57 8.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.54 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.67 102.67 15.42 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.009 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 25.52 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.689 HE21 ' HA ' ' A' ' 76' ' ' GLN . 0.0 OUTLIER -72.69 -43.68 62.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.875 -176.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -92.41 174.34 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 tpt85 -74.83 -32.55 61.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 p -124.78 164.0 20.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.48 ' HG3' ' HA ' ' A' ' 35' ' ' SER . 50.1 mt-30 -63.78 -56.4 15.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.452 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.48 -33.85 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.651 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -76.19 -40.06 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.719 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -62.54 -29.41 70.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.445 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 84' ' ' ARG . 29.3 ttt180 -57.68 -55.11 39.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.407 176.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.61 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.954 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.94 -53.33 52.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.69 85.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.468 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -36.71 82.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -70.69 -44.16 67.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.537 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.9 -51.63 38.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.401 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 p -60.18 -44.28 95.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.98 -39.83 87.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.103 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.31 -46.47 88.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.74 -46.31 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 111.043 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 92' ' ' SER . 23.3 t -73.05 -36.04 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -69.02 -33.52 73.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.167 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.48 -23.62 66.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.22 -24.43 64.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.89 -11.57 58.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.196 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -82.01 103.84 11.94 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.151 0.501 . . . . 0.0 111.144 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -96.5 -35.61 11.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.195 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.446 ' CD2' ' H ' ' A' ' 103' ' ' HIS . 1.6 p80 -68.5 92.35 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.89 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -110.63 103.66 12.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.495 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -153.09 -176.43 5.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 170.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.498 ' HA ' ' OD1' ' A' ' 60' ' ' ASN . 14.2 m80 -83.8 90.28 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.554 173.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -72.15 -28.81 63.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.383 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 32.4 p80 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 117.466 -1.254 . . . . 0.0 108.955 175.795 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.473 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 50.9 ttm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.6 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 55.3 tp -84.54 99.5 10.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -85.34 109.77 18.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.061 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -90.96 -41.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.038 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -153.85 -175.48 5.39 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -66.87 -42.96 84.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.17 8.42 43.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.95 118.24 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 110.506 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.473 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 31.6 m80 -135.59 139.72 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.621 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.6 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.8 mt -117.12 116.41 37.68 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.72 0.295 . . . . 0.0 110.964 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 22.3 Cg_exo -65.33 145.0 82.43 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 123.05 2.5 . . . . 0.0 112.206 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.32 -38.27 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.187 0.518 . . . . 0.0 110.931 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -27.78 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.779 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -83.45 -2.47 55.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.365 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -117.19 115.25 48.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.952 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 20.6 tt0 -83.34 115.73 22.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.83 0.348 . . . . 0.0 110.953 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.23 108.35 18.93 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 ' OG1' ' HB3' ' A' ' 38' ' ' HIS . 7.3 p -126.77 156.58 40.99 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.362 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.49 135.71 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.233 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 38' ' ' HIS . 63.2 mt -106.74 112.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.383 . . . . 0.0 110.733 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -84.69 123.49 30.43 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.05 -171.29 2.13 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.899 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.43 136.2 49.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 0.0 110.6 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.66 -142.71 9.25 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 56.78 42.38 26.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 111.135 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.64 -150.89 12.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.918 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.31 -55.84 28.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.487 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -136.15 11.96 3.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.945 0.878 . . . . 0.0 109.29 172.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -84.6 100.74 11.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.611 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t 64.97 101.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.675 0.75 . . . . 0.0 110.672 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -100.95 14.45 31.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.595 -174.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -137.08 146.29 44.97 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.472 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.1 p -66.86 140.79 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.178 176.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -58.12 137.86 56.59 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.849 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.474 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 13.3 p -81.2 20.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.946 0.403 . . . . 0.0 111.635 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.47 110.53 18.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.53 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 84.6 mmm -97.13 150.61 20.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.054 175.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.524 ' HB2' HD13 ' A' ' 20' ' ' ILE . 57.8 t-80 -122.31 135.78 54.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.687 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.2 mp -123.63 143.66 50.1 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.53 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.556 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 7.7 tpt180 -135.86 127.82 29.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.638 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -144.34 102.01 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.317 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.82 103.26 5.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.54 HD12 HD11 ' A' ' 56' ' ' LEU . 64.4 mt -58.98 -45.19 92.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.153 0.501 . . . . 0.0 110.159 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -57.86 -45.12 86.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.31 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.59 11.43 39.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -170.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 p -91.41 175.98 6.73 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.022 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m -85.97 16.33 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.982 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.585 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 67.4 mt -68.62 143.55 95.24 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.715 0.293 . . . . 0.0 111.049 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_exo -63.87 147.94 91.99 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.794 2.329 . . . . 0.0 112.02 175.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -52.19 -39.67 70.91 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 -176.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -58.6 -45.53 88.94 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.006 0.431 . . . . 0.0 110.883 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.44 -45.17 95.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.462 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.585 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 98.9 mttt -64.41 -36.89 85.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.166 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.69 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 111.278 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -58.35 -34.8 71.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.54 HD11 HD12 ' A' ' 43' ' ' ILE . 77.4 mt -73.07 -46.35 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.407 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.8 mt -63.94 -21.82 66.65 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.797 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.38 30.49 7.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.93 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.51 ' HA ' ' HG2' ' A' ' 102' ' ' GLU . 0.4 OUTLIER -90.37 155.5 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.793 178.663 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -84.93 13.47 5.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.946 -179.093 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.99 140.76 30.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.487 -175.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.4 m -100.07 -0.98 38.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.41 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -79.77 -36.88 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.48 HG12 HD11 ' A' ' 70' ' ' ILE . 79.8 mt -64.03 112.99 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.279 172.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.3 p -76.41 163.34 27.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.055 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.0 m -62.39 -25.94 68.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.82 -15.54 59.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.399 0.619 . . . . 0.0 110.695 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.36 46.97 4.8 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -175.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.7 t -128.74 139.52 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.686 0.279 . . . . 0.0 111.427 -176.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.48 HD11 HG12 ' A' ' 64' ' ' ILE . 35.2 mm -105.65 127.96 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.982 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.44 132.45 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.687 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.7 mp -130.74 161.26 32.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.202 0.525 . . . . 0.0 111.13 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 37' ' ' MET . 18.2 ptpt -153.29 115.1 4.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.428 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.38 121.35 44.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.178 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.04 19.71 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.956 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -68.8 -58.89 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.905 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.94 170.04 16.77 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -76.47 -15.27 59.95 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.212 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.7 p -118.1 149.35 41.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.936 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 91.9 mt-30 -70.63 -31.87 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.3 -52.03 65.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.58 -34.94 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.03 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.98 -37.85 87.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.15 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 40.2 ttt180 -65.31 -52.14 56.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.383 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.41 90.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.485 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.12 -48.19 79.58 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.68 80.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.865 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.9 mt -63.67 -44.79 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.777 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.493 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 2.2 tm? -67.64 -43.98 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.418 0.627 . . . . 0.0 109.312 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -59.91 -40.73 89.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.049 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.513 ' O ' HG13 ' A' ' 95' ' ' ILE . 37.0 tp -66.97 -51.55 53.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.43 ' HB3' HD21 ' A' ' 2' ' ' LEU . 10.8 p -61.79 -40.79 96.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.906 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.493 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -58.43 -45.8 87.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.878 175.018 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.51 -40.09 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.864 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 91' ' ' LEU . 85.1 mt -58.78 -45.3 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.724 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.74 -44.67 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.18 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.26 -33.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.791 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.43 60.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -95.58 -25.73 16.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.975 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt -95.35 167.3 11.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.91 -173.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.51 ' HG2' ' HA ' ' A' ' 59' ' ' LEU . 6.6 tp10 63.75 89.87 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.618 175.015 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -151.13 136.36 17.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.785 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 64.16 18.57 11.33 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.239 0.542 . . . . 0.0 110.733 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.487 ' HB3' ' OE1' ' A' ' 102' ' ' GLU . 38.8 t-80 -133.69 -82.41 0.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.78 -177.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 56.21 104.16 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.691 0.796 . . . . 0.0 112.766 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -123.43 106.22 10.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.998 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 68.2 t60 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.442 -0.79 . . . . 0.0 109.968 176.872 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.431 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 48.2 ttm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.735 0.303 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp -118.45 116.17 26.14 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.656 0.741 . . . . 0.0 109.457 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.93 111.15 18.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.1 mt -85.95 -45.24 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.376 0.607 . . . . 0.0 109.542 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -146.44 -178.46 6.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.801 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -69.93 -33.13 71.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.125 0.488 . . . . 0.0 110.867 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -99.9 0.34 41.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.163 0.506 . . . . 0.0 110.802 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -129.06 117.84 45.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.289 0.566 . . . . 0.0 110.971 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.431 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 9.4 m80 -134.21 123.45 24.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.4 mt -102.77 134.31 19.94 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.65 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 5.3 Cg_exo -80.46 139.22 12.75 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.388 2.726 . . . . 0.0 111.866 174.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.64 -39.79 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.657 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -28.35 62.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -86.24 0.77 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.275 0.56 . . . . 0.0 111.024 -174.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -118.94 108.66 24.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.777 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.4 tp10 -82.02 105.32 13.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.18 0.514 . . . . 0.0 110.787 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -96.66 109.1 21.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.529 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.595 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m -116.63 153.84 31.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.23 125.89 51.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.21 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -90.2 113.14 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.367 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -76.71 156.17 32.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.729 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.88 125.96 41.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.171 0.51 . . . . 0.0 111.55 -174.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.518 ' NE2' ' HA2' ' A' ' 26' ' ' GLY . 29.4 tt0 -119.21 137.31 53.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.911 176.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.43 81.34 1.04 Allowed Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.817 -174.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 67.63 22.0 9.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.518 ' HA2' ' NE2' ' A' ' 23' ' ' GLN . . . 102.57 127.41 6.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.874 173.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.01 -25.38 6.89 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.382 -0.437 . . . . 0.0 113.951 171.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -119.87 116.03 25.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.831 0.348 . . . . 0.0 111.508 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -78.49 127.51 32.27 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 168.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.4 m -76.29 14.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -172.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.3 t30 64.81 14.9 9.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.895 0.855 . . . . 0.0 110.976 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.65 ' HZ3' ' HB2' ' A' ' 32' ' ' LYS . 4.3 ttmp? -139.92 128.85 23.45 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.0 -179.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.07 123.21 46.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.894 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m -74.12 167.16 22.12 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.172 0.511 . . . . 0.0 111.331 -178.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.481 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.6 p -83.98 5.56 25.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 106.31 1.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.484 0.659 . . . . 0.0 111.619 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.73 ' HB2' ' HB2' ' A' ' 74' ' ' ALA . 86.0 mmm -97.19 143.5 27.93 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.24 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.595 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 29.3 t-80 -108.35 119.32 39.16 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.903 175.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 2.7 mm? -107.77 121.83 45.52 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 -176.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 16.5 ttt180 -121.19 103.52 9.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.644 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.496 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 83.6 t80 -97.07 117.6 31.61 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.91 127.24 33.33 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.8 mt -103.87 -13.6 8.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-O 121.284 0.564 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.1 t-20 -88.28 -55.04 3.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.58 20.62 11.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.973 -173.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -91.4 160.39 15.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.933 0.397 . . . . 0.0 111.41 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -80.06 5.99 12.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.669 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.41 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 91.5 mt -58.66 131.33 85.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.999 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.539 ' HG2' ' CD1' ' A' ' 52' ' ' TYR . 10.2 Cg_endo -54.4 150.98 31.67 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.064 2.51 . . . . 0.0 112.312 176.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -50.25 -36.69 47.55 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.434 2.756 . . . . 0.0 112.973 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.472 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.2 t80 -57.31 -48.88 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.514 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.539 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 25.8 m-85 -70.74 -37.48 73.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.011 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.41 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 13.2 mmtm -50.91 -56.3 13.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 110.771 174.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.3 -47.39 86.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.739 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.583 ' NH2' ' HB3' ' A' ' 102' ' ' GLU . 27.7 mmm180 -61.51 -40.88 96.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.793 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.96 -44.71 79.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.594 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -65.13 -27.85 69.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.47 19.56 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.2 tp -78.42 169.74 17.76 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 120.962 0.411 . . . . 0.0 110.206 -178.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -93.13 10.46 31.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.373 0.606 . . . . 0.0 110.71 -177.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -93.33 118.78 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.8 m -76.22 -7.53 55.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.197 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -79.79 -15.93 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.255 0.55 . . . . 0.0 109.518 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.65 116.72 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.095 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 153.11 17.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.2 m -68.2 -11.19 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.02 -14.4 61.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.611 0.72 . . . . 0.0 109.917 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.437 ' HA3' ' HB2' ' A' ' 44' ' ' ASN . . . 92.76 32.32 8.11 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.309 178.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.7 t -134.57 134.11 54.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.674 0.273 . . . . 0.0 110.542 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.496 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 10.5 tt -115.22 124.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.8 t -108.61 132.65 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 4.2 mp -133.76 161.78 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.97 0.414 . . . . 0.0 110.404 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -127.6 114.18 17.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.366 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.73 ' HB2' ' HB2' ' A' ' 37' ' ' MET . . . -96.9 101.44 13.02 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.497 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -138.82 13.28 2.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.548 0.689 . . . . 0.0 109.599 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -80.89 -41.7 22.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.377 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.39 171.58 9.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.924 0.392 . . . . 0.0 111.645 -177.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.74 -34.64 21.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.15 -173.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.7 p -106.44 152.38 23.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.943 0.401 . . . . 0.0 110.966 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.565 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 89.3 mt-30 -66.07 -34.58 78.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.291 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.402 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 37.8 tt0 -59.7 -47.05 87.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.54 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -65.52 -38.27 89.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.044 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -65.61 -32.44 74.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.75 176.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 99.8 mtt180 -62.4 -52.91 61.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.986 0.422 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.39 98.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.241 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.81 -43.16 94.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.76 92.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.887 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.4 mt -65.16 -38.0 89.17 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.137 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.6 -53.15 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 95' ' ' ILE . 8.7 tp -60.94 -47.59 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.266 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -66.13 -38.29 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.468 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -59.22 -48.31 82.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.182 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.88 -44.39 86.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.639 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 91' ' ' LEU . 81.6 mt -63.79 -42.83 97.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.8 t -72.9 -41.16 60.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.138 0.494 . . . . 0.0 110.61 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.447 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 63.1 m-20 -65.25 -28.16 69.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.84 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -24.09 50.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.622 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.29 -20.75 25.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.877 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.447 ' HD3' ' HA ' ' A' ' 97' ' ' ASN . 44.0 mtpt -95.36 -26.04 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.417 0.627 . . . . 0.0 111.113 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.9 mt -84.75 159.1 20.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.953 175.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.583 ' HB3' ' NH2' ' A' ' 55' ' ' ARG . 0.6 OUTLIER 56.97 65.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.75 0.786 . . . . 0.0 108.977 -174.605 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -102.14 47.38 0.9 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.776 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -142.91 10.64 1.78 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.646 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.7 t-80 51.78 52.49 14.45 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.67 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -59.56 -42.58 92.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.836 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -93.98 95.54 9.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.5 p80 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.327 -178.585 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.814 HD22 HD11 ' A' ' 10' ' ' LEU . 42.2 tp -86.32 94.46 9.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 109.754 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.54 113.21 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.404 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.54 -39.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 110.324 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 m -156.99 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.581 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.41 -52.5 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.735 0.302 . . . . 0.0 110.812 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -88.07 -0.04 56.57 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.318 0.58 . . . . 0.0 111.038 -174.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.39 116.46 47.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.335 0.588 . . . . 0.0 110.783 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -139.55 142.15 37.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.814 HD11 HD22 ' A' ' 2' ' ' LEU . 78.2 mt -117.31 104.0 50.7 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.771 0.32 . . . . 0.0 110.183 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.78 141.94 97.75 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.266 2.644 . . . . 0.0 112.592 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -52.34 -40.24 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.041 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.03 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.615 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -84.86 1.95 44.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.006 0.431 . . . . 0.0 111.069 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -120.11 135.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.797 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.561 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 9.9 tp10 -100.96 108.97 20.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.773 0.321 . . . . 0.0 110.19 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.3 mp -103.57 108.75 20.16 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.049 0.452 . . . . 0.0 110.157 179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.69 161.0 22.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.919 -176.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.72 145.57 28.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.51 106.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.411 . . . . 0.0 110.176 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -100.69 141.0 34.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.91 145.4 51.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.154 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.552 HE21 ' HB3' ' A' ' 25' ' ' ALA . 17.5 pt20 -71.46 147.92 47.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.795 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.9 42.22 2.42 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.552 ' HB3' HE21 ' A' ' 23' ' ' GLN . . . -115.53 20.58 14.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.111 0.482 . . . . 0.0 110.657 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.06 53.6 0.77 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.22 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.71 -144.84 9.4 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.997 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.517 ' HG3' ' OD1' ' A' ' 29' ' ' ASN . 27.2 tp60 -146.83 127.03 13.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -178.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.517 ' OD1' ' HG3' ' A' ' 28' ' ' GLN . 18.8 m120 70.69 26.33 3.89 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.257 0.623 . . . . 0.0 110.832 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.7 m -109.99 100.15 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.422 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -126.34 19.46 7.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -106.11 138.05 42.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.587 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.37 151.07 10.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.884 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -70.11 154.34 42.04 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.407 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 t -103.24 7.06 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.718 0.771 . . . . 0.0 109.701 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.417 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -75.35 119.06 18.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.215 -175.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.7 ' HE3' ' HB3' ' A' ' 80' ' ' GLN . 13.0 mmt -97.98 154.6 17.57 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.615 174.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -122.95 126.1 46.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.628 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.2 mp -127.49 129.93 48.3 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.561 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 62.8 ttt180 -115.17 125.9 53.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 174.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.555 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 74.0 t80 -119.93 105.93 11.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.512 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.94 113.52 19.2 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.782 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 70.2 mt -74.96 -27.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.298 0.57 . . . . 0.0 110.497 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -73.04 -53.48 11.02 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.393 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.45 -1.46 58.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -81.04 170.0 16.77 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.722 -177.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 m -82.1 17.78 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.05 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.89 129.11 81.7 Favored Pre-proline 0 C--O 1.233 0.217 0 CA-C-N 116.686 -0.233 . . . . 0.0 110.83 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_exo -57.12 142.37 94.32 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.497 2.132 . . . . 0.0 111.16 176.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.488 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 96.6 Cg_exo -44.37 -50.2 8.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.693 2.928 . . . . 0.0 113.252 -174.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.16 -48.51 67.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.01 0.433 . . . . 0.0 111.44 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -74.73 -36.16 62.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.368 -176.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 40.2 ttmt -64.05 -43.7 94.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.655 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 10.5 mm-40 -62.03 -46.68 88.13 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.272 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.53 -44.05 72.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.633 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.43 -44.61 62.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.63 -38.28 90.53 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.245 0.545 . . . . 0.0 111.151 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.68 32.85 3.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.417 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.473 HD23 ' HB3' ' A' ' 98' ' ' ALA . 13.2 tp -92.03 173.87 7.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.736 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -103.46 12.12 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.06 125.75 34.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.565 -174.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.7 m -81.7 -2.53 50.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.318 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -82.55 -17.89 43.35 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.489 0.661 . . . . 0.0 109.266 173.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.487 HG12 HD12 ' A' ' 70' ' ' ILE . 60.8 mt -96.95 118.25 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.438 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -70.1 153.74 42.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.49 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m -66.36 -5.68 11.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.103 -174.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -101.94 -12.93 17.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.951 0.405 . . . . 0.0 110.816 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 36.72 5.42 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.115 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.5 130.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.555 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 50.1 mm -103.16 121.66 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.174 177.309 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -122.84 121.87 64.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.76 165.0 12.03 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.583 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -134.97 104.56 6.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.128 -1.396 . . . . 0.0 108.089 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.417 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -101.36 102.1 12.86 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -140.88 29.12 1.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 109.84 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.92 -26.03 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.641 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -111.06 165.63 11.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.628 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -64.16 -50.32 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.708 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -99.52 139.99 34.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.125 0.488 . . . . 0.0 112.279 -173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.7 ' HB3' ' HE3' ' A' ' 37' ' ' MET . 78.1 mt-30 -54.21 -40.91 68.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.847 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.37 -40.29 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.776 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -75.24 -32.49 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.335 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -61.64 -37.23 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.663 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.506 ' HG3' ' HG3' ' A' ' 37' ' ' MET . 62.1 mtt180 -61.94 -39.57 92.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 110.899 175.26 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.12 72.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.987 0.422 . . . . 0.0 110.757 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.78 -48.25 78.31 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.398 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.55 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . . . -59.08 -38.04 78.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.625 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -40.32 83.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.894 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.47 -52.57 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.113 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.55 ' HD3' ' HA ' ' A' ' 87' ' ' ALA . 9.1 ptm180 -67.2 -27.71 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.944 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 6.0 tt -65.8 -50.41 64.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -65.71 -34.52 78.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.22 -50.67 73.12 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.59 -48.87 65.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.59 -51.05 70.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.914 -175.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.8 t -76.94 -38.84 29.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.015 0.436 . . . . 0.0 111.304 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.44 -46.75 53.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.897 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.473 ' HB3' HD23 ' A' ' 59' ' ' LEU . . . -75.6 -21.69 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.09 -3.52 30.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -91.73 -12.75 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.84 105.33 1.27 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.948 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.79 -21.43 13.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.596 174.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -93.1 150.09 20.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.533 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -116.25 165.6 12.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.951 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -93.49 113.62 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -63.99 100.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.263 0.352 . . . . 0.0 110.467 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.2 m80 61.15 -101.98 0.12 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.57 -176.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.853 -173.502 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.96 0.41 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.709 HD22 HD13 ' A' ' 10' ' ' LEU . 47.9 tp -89.79 96.78 10.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.0 109.656 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -81.63 110.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.881 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.29 -45.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 109.565 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.506 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 32.8 t -136.0 177.45 7.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.98 -50.56 73.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.738 0.304 . . . . 0.0 110.951 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -103.05 10.09 38.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.441 0.639 . . . . 0.0 110.895 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.506 ' HB ' ' HB3' ' A' ' 5' ' ' SER . 58.9 t -123.12 116.7 49.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.182 0.515 . . . . 0.0 109.821 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -134.19 144.2 48.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.741 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.709 HD13 HD22 ' A' ' 2' ' ' LEU . 65.4 mt -109.66 117.63 52.1 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . 0.743 ' HG2' ' HB2' ' A' ' 14' ' ' GLU . 10.3 Cg_endo -57.52 145.76 87.21 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.78 2.32 . . . . 0.0 112.004 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.05 -38.06 75.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.019 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.25 -6.11 49.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.122 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.743 ' HB2' ' HG2' ' A' ' 11' ' ' PRO . 20.3 tt0 -94.93 -0.86 53.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.851 0.834 . . . . 0.0 110.125 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.45 100.82 11.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.685 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.959 ' HG2' ' HE ' ' A' ' 40' ' ' ARG . 8.2 tp10 -87.5 101.8 13.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.501 -175.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.481 HD21 ' HG ' ' A' ' 39' ' ' LEU . 87.5 mt -108.6 110.36 21.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.703 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.599 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -111.31 157.26 20.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.956 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.489 ' HA ' ' HE1' ' A' ' 37' ' ' MET . . . -107.73 122.45 46.77 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.2 mt -81.39 101.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 109.699 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -86.21 127.22 34.7 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.9 173.47 14.77 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.182 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.766 HE22 ' HB3' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -134.19 -169.45 2.32 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.811 179.383 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.42 -47.71 81.23 Favored Glycine 0 C--N 1.335 0.478 0 O-C-N 123.52 0.512 . . . . 0.0 113.614 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.766 ' HB3' HE22 ' A' ' 23' ' ' GLN . . . 55.76 38.92 30.67 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.94 0.4 . . . . 0.0 111.287 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.43 -26.06 5.55 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.67 112.84 4.88 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.495 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 63.8 tt0 -87.87 129.06 35.33 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -177.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.495 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 7.8 t30 79.52 -13.03 1.0 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.502 1.126 . . . . 0.0 110.556 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 m -117.58 90.86 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.796 0.808 . . . . 0.0 111.117 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -123.23 82.82 2.04 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 9.0 tppt? -116.82 143.48 45.63 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.679 -175.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.56 126.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.217 0.532 . . . . 0.0 109.839 176.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 m -57.27 136.35 56.51 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.822 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.7 p -83.16 11.05 6.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.217 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.633 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -76.64 120.04 21.27 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.016 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.557 ' HA ' ' HE1' ' A' ' 37' ' ' MET . 4.0 mmt -95.43 140.97 29.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.465 175.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 16.4 t-80 -105.7 121.62 44.39 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.743 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.481 ' HG ' HD21 ' A' ' 17' ' ' LEU . 6.7 mp -120.57 140.77 51.02 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.994 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.959 ' HE ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 ptt180 -134.64 98.89 4.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.37 0.605 . . . . 0.0 110.16 173.021 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.465 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.2 t80 -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.49 111.73 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.078 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.489 HD12 ' HB3' ' A' ' 56' ' ' LEU . 70.5 mt -69.29 -26.74 32.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.796 -176.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.91 -46.27 37.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 -175.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.89 -10.13 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 p -63.95 150.4 45.18 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -75.89 26.96 0.11 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.692 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.7 mt -88.73 142.17 30.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -63.89 155.17 65.61 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.449 2.099 . . . . 0.0 112.301 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.462 ' HA ' ' HB2' ' A' ' 53' ' ' LYS . 54.0 Cg_exo -53.14 -30.82 51.98 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.115 2.543 . . . . 0.0 112.098 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -49.76 -50.19 45.45 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.848 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -76.04 -39.18 56.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.787 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.692 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 94.2 mttt -60.24 -37.83 81.57 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 46.1 mt-10 -57.87 -49.42 76.77 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.287 0.565 . . . . 0.0 111.209 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.535 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 78.5 mtt85 -75.4 -23.94 57.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.335 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 43' ' ' ILE . 88.5 mt -71.04 -44.11 66.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 110.301 172.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.49 -47.06 83.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.397 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.91 33.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.465 -177.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.2 mt -76.98 160.91 28.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.605 0.717 . . . . 0.0 110.648 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -93.66 15.35 16.5 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -97.73 153.6 18.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.849 -171.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.5 m -85.82 -13.4 48.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.598 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.982 0.42 . . . . 0.0 110.646 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.414 HD13 HD11 ' A' ' 70' ' ' ILE . 40.6 mm -71.11 106.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.985 177.152 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -96.23 165.11 12.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 m -72.15 -21.48 61.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.161 0.505 . . . . 0.0 109.957 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.559 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.93 42.62 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.562 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.46 131.04 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.978 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.58 HG21 HD12 ' A' ' 72' ' ' LEU . 30.7 mm -97.99 108.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.776 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.0 t -103.7 127.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.58 HD12 HG21 ' A' ' 70' ' ' ILE . 2.7 mp -125.16 156.4 38.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.51 0.672 . . . . 0.0 111.231 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.52 104.35 6.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.645 172.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.633 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -86.76 102.21 14.04 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.99 -175.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -122.84 20.03 10.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.544 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -68.63 -56.34 8.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.037 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -87.51 164.68 16.0 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.423 ' HD2' ' HA ' ' A' ' 78' ' ' ARG . 17.1 tpt180 -90.07 -10.9 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.221 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.77 134.65 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.505 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 90.8 mt-30 -66.21 -44.35 84.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.19 -175.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 5.8 tp10 -64.35 -32.53 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.83 -36.5 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.642 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -60.36 -36.38 77.9 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.155 0.503 . . . . 0.0 110.07 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.46 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 14.8 ttt180 -52.81 -52.24 57.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.36 175.438 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.15 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.001 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.1 -47.94 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.188 0.518 . . . . 0.0 110.255 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.77 89.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.226 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.428 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 82.5 mt -62.0 -40.66 96.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.696 0.284 . . . . 0.0 110.866 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.84 -51.88 65.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 0.0 110.09 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -65.14 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.373 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.75 -51.49 62.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 110.112 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 p -62.44 -36.69 83.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.107 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 2.9 mm-40 -59.6 -47.79 84.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.411 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.58 -43.36 93.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.13 -49.42 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.919 0.39 . . . . 0.0 111.066 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.38 -41.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.466 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 8.9 t-20 -61.19 -37.87 84.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.933 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.3 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.535 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -88.23 -11.87 45.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.248 0.547 . . . . 0.0 111.115 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -96.39 -22.66 17.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.996 -173.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 101' ' ' LEU . 2.5 pp -64.27 113.61 3.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.109 0.957 . . . . 0.0 112.324 -174.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.16 -17.73 20.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.876 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -116.66 128.59 55.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.978 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -86.54 137.7 32.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.13 0.49 . . . . 0.0 110.7 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -96.1 -31.43 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.182 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -145.98 -42.13 0.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.72 -172.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -90.92 130.64 36.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.6 t60 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.779 -0.629 . . . . 0.0 110.52 -177.683 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.571 0.224 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.805 HD21 HD13 ' A' ' 10' ' ' LEU . 48.8 tp -88.04 96.74 10.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.363 0.601 . . . . 0.0 109.773 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.7 t -79.04 110.41 14.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.159 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -93.92 -35.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.401 0.62 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -153.37 -177.53 6.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.745 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -61.11 -40.29 93.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -116.09 16.42 16.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.243 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.27 118.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 109.871 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -137.22 143.19 42.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.587 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.805 HD13 HD21 ' A' ' 2' ' ' LEU . 40.6 mt -110.88 111.02 56.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.045 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.56 139.63 59.38 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 123.184 2.589 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -37.32 71.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.456 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.29 -24.45 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.477 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -83.3 0.62 44.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.126 0.489 . . . . 0.0 111.195 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG23 ' HG ' ' A' ' 17' ' ' LEU . 62.8 mt -106.75 116.41 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.894 -178.495 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.553 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 6.4 tp10 -93.86 101.38 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.858 176.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' HG ' HG23 ' A' ' 15' ' ' ILE . 84.6 mt -103.39 110.11 22.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.294 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.556 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.25 152.72 37.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.215 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 132.94 52.79 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -96.5 119.76 44.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 110.139 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.865 ' HA ' HG22 ' A' ' 33' ' ' VAL . 40.5 ptt180 -66.9 164.78 16.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.1 -162.57 0.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.011 -177.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -74.66 155.51 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.378 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.42 -120.94 2.92 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.644 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.16 -123.43 0.73 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.304 0.242 . . . . 0.0 110.968 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.01 -145.21 4.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.362 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.93 -59.12 4.77 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 67.17 4.81 3.82 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.86 0.838 . . . . 0.0 111.602 175.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -117.0 3.87 12.78 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.962 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.8 m -82.68 80.81 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.682 0.754 . . . . 0.0 110.961 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -112.5 14.33 20.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.355 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -126.79 147.3 50.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.235 -175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.865 HG22 ' HA ' ' A' ' 21' ' ' ARG . 14.8 p -93.65 151.88 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.163 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 t -81.75 174.77 11.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.5 p -83.9 -3.17 57.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.725 0.298 . . . . 0.0 111.037 -178.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . . . -61.67 107.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.612 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.0 mmm -97.71 148.3 23.48 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.367 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.556 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 23.9 t-80 -110.38 128.49 55.6 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.184 176.247 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 87' ' ' ALA . 60.8 tp -121.71 125.45 46.64 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.655 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 20.5 ttt180 -124.01 118.34 26.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.055 170.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.533 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 58.4 t80 -110.87 113.45 26.03 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.096 0.474 . . . . 0.0 109.865 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.615 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 52.3 mt -66.74 -31.89 55.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.651 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.56 -53.4 58.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.773 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.3 5.43 47.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.44 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 157.39 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.963 0.411 . . . . 0.0 111.242 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -84.05 6.23 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.916 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 HD13 HG21 ' A' ' 43' ' ' ILE . 50.2 mt -54.71 138.07 62.65 Favored Pre-proline 0 C--O 1.235 0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.603 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.48 147.84 92.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.986 2.457 . . . . 0.0 112.024 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.4 -42.63 40.72 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.377 2.718 . . . . 0.0 113.165 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.39 -52.81 60.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.142 0.496 . . . . 0.0 111.509 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.401 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 87.9 m-85 -64.0 -40.76 97.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.152 -177.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.615 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.3 mttt -59.48 -47.13 86.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.885 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.08 -43.05 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.661 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.4 mmt180 -63.61 -42.88 98.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.737 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 64' ' ' ILE . 92.9 mt -60.89 -46.91 88.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.44 -24.12 67.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.176 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.62 5.64 47.63 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 22.5 mt -72.65 156.93 38.46 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.098 0.475 . . . . 0.0 111.91 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -92.63 15.29 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.338 1.066 . . . . 0.0 108.917 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.46 ' HB3' HG12 ' A' ' 64' ' ' ILE . 18.9 t70 -79.92 122.62 26.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.956 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 m -74.83 -10.95 59.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.117 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -85.14 -20.08 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.241 0.543 . . . . 0.0 109.809 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.497 HG22 ' O ' ' A' ' 56' ' ' LEU . 43.7 mm -80.26 127.57 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.013 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.7 p -100.53 154.54 18.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.263 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.7 m -69.44 -20.86 63.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.962 0.41 . . . . 0.0 110.685 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.57 -14.77 60.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.691 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.51 8.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.827 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.18 128.57 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.83 0.348 . . . . 0.0 110.822 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.655 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 49.9 mm -98.27 112.68 30.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.419 ' C ' HD12 ' A' ' 72' ' ' LEU . 25.3 t -123.47 117.89 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.04 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.419 HD12 ' C ' ' A' ' 71' ' ' VAL . 9.6 mp -128.59 174.55 9.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.15 0.5 . . . . 0.0 111.205 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -136.6 109.32 7.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.52 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.18 104.72 13.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.493 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -131.96 26.68 4.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.186 0.517 . . . . 0.0 110.25 176.327 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -62.06 -47.75 83.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.601 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.73 163.14 13.31 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -177.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -71.65 -38.26 70.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.284 176.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.8 p -92.56 133.6 35.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 97.6 mt-30 -65.79 -31.29 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.333 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.64 -43.05 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.31 -36.32 79.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.39 -32.78 74.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.63 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 86.7 mtt180 -63.39 -49.64 73.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.922 0.392 . . . . 0.0 109.971 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.14 95.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.223 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.16 0.505 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.48 ' HB3' HD23 ' A' ' 39' ' ' LEU . . . -60.22 -48.28 82.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.3 mt -63.85 -39.0 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.21 -50.7 72.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm105 -60.29 -34.94 74.46 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.334 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 95' ' ' ILE . 44.3 tp -62.36 -52.13 64.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.139 0.495 . . . . 0.0 110.554 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -63.96 -40.81 97.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.539 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -59.04 -47.88 83.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.464 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.7 -44.69 86.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.865 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.9 mt -57.7 -48.29 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.38 -38.16 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 21.7 m-80 -74.61 -43.79 53.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.969 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.428 ' HB2' HD11 ' A' ' 59' ' ' LEU . . . -63.29 -28.08 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.62 68.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.762 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.04 -19.73 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.264 0.554 . . . . 0.0 111.302 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 84.9 mt -76.79 114.98 16.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.913 -179.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.422 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -81.74 -64.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.735 178.71 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -132.63 -171.91 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 65.48 -165.71 0.23 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.513 0.508 . . . . 0.0 111.034 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 59.6 t-80 -128.79 -67.18 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.782 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 105' ' ' HIS . 13.6 m-70 68.38 141.96 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.861 0.725 . . . . 0.0 110.652 -172.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 64.19 179.55 0.17 Allowed 'General case' 0 C--O 1.238 0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.631 -0.7 . . . . 0.0 109.339 175.831 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.051 0.453 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.739 HD12 ' HB3' ' A' ' 88' ' ' LEU . 3.2 mm? -92.51 105.31 17.51 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 -177.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -75.55 109.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.689 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.5 mm -94.57 -44.96 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -145.32 175.89 9.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.223 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.6 -28.29 66.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.51 . . . . 0.0 110.397 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -104.55 -1.51 26.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.321 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.97 119.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.096 0.474 . . . . 0.0 110.85 -176.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -132.64 145.13 50.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.202 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 2' ' ' LEU . 1.1 tt -108.27 105.46 56.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.6 146.2 72.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.875 2.383 . . . . 0.0 112.738 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.14 -38.81 74.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.83 -0.59 16.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.891 -1.049 . . . . 0.0 113.05 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -109.97 10.06 24.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.458 0.647 . . . . 0.0 110.855 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.76 122.76 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 171.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.544 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 35.4 tt0 -78.04 97.86 5.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.035 0.445 . . . . 0.0 111.11 -175.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -94.57 110.65 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.86 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.0 130.21 56.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.966 177.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.16 116.36 27.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.726 0.298 . . . . 0.0 111.292 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.484 HD13 ' HB2' ' A' ' 38' ' ' HIS . 60.7 mt -94.39 115.22 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.047 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -95.5 178.03 5.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.246 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.95 140.38 35.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -87.61 132.51 34.05 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.418 0.628 . . . . 0.0 111.067 -176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 61.32 3.87 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.03 -0.987 . . . . 0.0 111.61 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.33 103.06 5.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.771 0.32 . . . . 0.0 110.228 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.89 125.9 4.61 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.051 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.12 -52.92 4.7 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.344 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 64.66 15.38 9.68 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.453 0.701 . . . . 0.0 111.134 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -103.73 -8.12 20.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.388 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 m -85.43 64.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.68 . . . . 0.0 111.122 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -100.83 16.6 24.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.954 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -96.41 111.79 23.76 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.315 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.91 125.78 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.423 -171.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m -68.71 148.69 50.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.948 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -94.22 12.99 24.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.03 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.403 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -71.05 108.93 4.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.233 -175.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.529 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 53.5 mtp -100.03 130.03 46.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.142 0.496 . . . . 0.0 110.199 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.484 ' HB2' HD13 ' A' ' 20' ' ' ILE . 32.8 t-80 -95.78 122.04 38.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.013 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 8.3 mp -115.52 118.68 33.83 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.711 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.544 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.3 ttt180 -110.78 113.3 25.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.285 172.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -110.2 105.84 15.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.181 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.08 93.12 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.517 HD11 HD13 ' A' ' 56' ' ' LEU . 59.8 mt -58.9 -37.81 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.884 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.99 -48.78 80.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.927 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.85 18.71 13.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.086 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -87.35 158.17 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.82 0.343 . . . . 0.0 110.645 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 13.96 8.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.244 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.09 137.03 96.9 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.356 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.73 149.33 14.25 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 123.564 2.843 . . . . 0.0 113.437 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.03 -36.79 45.74 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.737 2.958 . . . . 0.0 113.385 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -53.29 -47.29 69.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.201 0.524 . . . . 0.0 110.642 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.95 -37.75 69.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.6 mmtm -53.62 -55.4 26.17 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 175.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.56 -49.24 76.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.542 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -44.31 80.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.796 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD23 HD13 ' A' ' 64' ' ' ILE . 86.5 mt -73.34 -47.63 40.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.377 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 tt -53.3 -39.83 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.329 -178.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.89 35.58 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.487 HD23 HD11 ' A' ' 64' ' ' ILE . 19.1 tp -81.27 163.81 22.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.098 0.475 . . . . 0.0 110.796 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -90.92 9.95 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.652 0.739 . . . . 0.0 109.683 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -74.56 151.5 39.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.06 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -106.21 1.02 25.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.829 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -107.12 -44.04 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.74 HD12 HD13 ' A' ' 94' ' ' LEU . 68.0 mt -71.35 117.68 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.303 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p -89.78 157.63 17.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.001 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 p -65.98 -8.26 21.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.116 0.484 . . . . 0.0 111.522 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.9 -24.5 48.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 0.0 110.087 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.5 9.09 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.57 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.51 128.04 72.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.515 HD13 HG12 ' A' ' 64' ' ' ILE . 38.2 mm -125.26 128.72 72.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.329 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.07 130.65 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.448 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.83 166.99 22.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.529 ' HA ' ' O ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -143.99 110.02 5.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.798 0.808 . . . . 0.0 109.667 169.46 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -88.43 108.98 19.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.867 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 20.97 2.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.083 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -77.91 -33.28 51.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.701 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -102.07 162.46 12.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -74.63 -42.97 57.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 p -84.35 127.86 34.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.236 0.541 . . . . 0.0 111.373 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -65.55 -30.97 71.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.405 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.57 -47.74 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.16 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.01 -30.49 62.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.33 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -57.49 -40.61 79.0 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.185 171.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -59.3 -55.44 34.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.354 0.597 . . . . 0.0 110.145 175.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.092 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.04 -50.93 70.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.204 0.526 . . . . 0.0 110.771 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.41 96.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.197 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.739 ' HB3' HD12 ' A' ' 2' ' ' LEU . 88.5 mt -64.92 -37.9 89.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -48.4 76.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.869 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -61.97 -38.24 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.115 178.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.54 -47.34 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -62.42 -41.82 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.94 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.13 -43.13 99.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.776 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.74 HD13 HD12 ' A' ' 64' ' ' ILE . 3.3 tm? -59.73 -40.26 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.758 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.84 -45.14 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.84 -34.52 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.133 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.465 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 4.0 t-20 -55.65 -53.2 59.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.742 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.09 -25.42 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.642 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.21 -24.33 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -87.24 -25.83 23.8 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.499 HD12 ' HB2' ' A' ' 104' ' ' HIS . 97.2 mt -87.0 156.62 19.69 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.979 -173.713 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -109.87 -43.24 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.043 170.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -147.58 127.42 13.51 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.775 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.499 ' HB2' HD12 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -166.54 127.14 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -75.15 -39.52 60.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.259 0.349 . . . . 0.0 111.186 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 55.64 37.71 29.23 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.847 0.832 . . . . 0.0 109.851 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -92.05 135.53 33.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.555 -170.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.237 171.943 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 43.6 ttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.748 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 43.9 tp -99.81 101.3 12.4 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.309 0.576 . . . . 0.0 109.548 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.61 117.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.59 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.35 -53.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.386 0.613 . . . . 0.0 109.621 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.557 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 37.0 m -124.35 179.94 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.611 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.88 -36.74 64.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.293 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -102.69 4.51 38.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.447 0.642 . . . . 0.0 110.427 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 83.8 t -124.37 118.02 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.23 0.538 . . . . 0.0 109.717 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 36.6 m80 -130.0 141.11 50.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.755 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.748 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 93.6 mt -103.64 108.19 58.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.866 0.365 . . . . 0.0 110.383 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.16 141.51 98.13 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.902 2.401 . . . . 0.0 111.755 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.65 -35.06 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.528 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.38 -26.37 66.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.574 ' OE2' ' HA ' ' A' ' 46' ' ' SER . 24.5 mt-10 -90.13 3.98 51.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.182 0.515 . . . . 0.0 110.724 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.1 mt -117.88 114.84 46.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.91 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 83.0 tt0 -93.02 98.57 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.046 0.451 . . . . 0.0 110.766 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -95.87 118.53 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.966 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.22 162.36 18.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.82 129.94 46.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 59.5 mt -92.21 118.32 37.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.269 0.557 . . . . 0.0 110.653 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.27 175.568 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 m . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 120.854 0.359 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -84.24 12.01 7.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.314 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -79.62 113.08 17.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.312 0.577 . . . . 0.0 111.06 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.6 tpt -98.02 163.49 12.74 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -138.02 134.63 35.04 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.336 0.589 . . . . 0.0 110.572 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.493 HD22 ' HB1' ' A' ' 87' ' ' ALA . 57.2 tp -120.5 129.86 54.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.824 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 71.2 ttt-85 -139.58 109.59 6.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.252 0.549 . . . . 0.0 110.141 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 88.1 t80 -116.15 113.66 23.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.843 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.54 93.73 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.617 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 39.1 mt -62.42 -32.72 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.522 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.51 -24.73 22.86 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -172.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.574 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 12.7 p -64.93 164.99 11.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.326 0.584 . . . . 0.0 112.197 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 p -83.81 15.12 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.19 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.443 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 32.7 mt -58.91 133.52 87.0 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.295 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 150.22 75.5 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.775 2.316 . . . . 0.0 111.654 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -48.63 -37.0 33.67 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.256 2.637 . . . . 0.0 112.708 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.556 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 92.3 t80 -56.26 -55.05 38.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.12 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -64.31 -38.73 92.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 95.4 mttt -60.02 -45.85 91.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.008 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.16 -39.68 86.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.583 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 12.3 mmm180 -60.54 -42.37 96.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.734 0.302 . . . . 0.0 110.975 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 94.5 mt -73.34 -47.46 42.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.431 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.3 -40.91 92.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.29 27.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.583 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -82.86 163.52 21.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 110.622 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 16.0 20.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.709 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.86 144.47 27.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.303 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -89.33 1.11 56.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.116 -176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -93.69 6.77 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.519 0.676 . . . . 0.0 109.69 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mm -97.83 130.96 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.206 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.6 p -102.56 156.63 17.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -65.15 -25.63 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.678 0.275 . . . . 0.0 111.349 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -84.12 -9.0 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.971 0.415 . . . . 0.0 111.059 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.98 3.09 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.286 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.0 t -132.84 128.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 47.0 mm -86.33 112.93 23.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 40' ' ' ARG . 23.6 t -124.63 118.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.633 0.254 . . . . 0.0 110.505 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -140.03 169.52 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 0.0 110.047 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -141.24 110.31 6.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.835 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . . . -92.27 102.48 14.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.013 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.13 23.44 11.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.007 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -85.51 -57.52 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.002 -172.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.11 164.1 25.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.811 -172.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 3.4 tmt_? -68.01 -32.62 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.327 -175.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' A' ' 82' ' ' GLN . 16.2 p -117.1 143.44 45.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -62.19 -25.14 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.77 -49.67 76.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.408 . . . . 0.0 110.85 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.434 ' HG2' ' OG1' ' A' ' 79' ' ' THR . 84.6 mm-40 -68.12 -36.71 80.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.325 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 62.7 m-80 -68.81 -30.34 68.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.26 177.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 57.9 ttt180 -62.99 -49.98 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.403 175.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.17 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.914 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 28.7 t70 -57.34 -53.27 60.04 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.206 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.493 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -55.57 -41.77 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.976 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 88.2 mt -66.49 -43.2 86.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.69 0.281 . . . . 0.0 111.187 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 89' ' ' LEU . 1.9 tm? -69.13 -38.39 78.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.459 0.647 . . . . 0.0 109.421 177.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 11.7 ttt180 -60.97 -45.11 96.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.375 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 95' ' ' ILE . 55.9 tp -62.68 -52.08 64.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.973 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 p -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.49 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 1.8 tm-20 -59.5 -47.45 85.47 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.2 -43.1 96.21 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.544 ' HA ' HD21 ' A' ' 56' ' ' LEU . 75.5 mt -63.12 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.6 -34.98 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.982 0.42 . . . . 0.0 110.376 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.884 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 9.9 t-20 -56.31 -49.31 74.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.431 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 59' ' ' LEU . . . -64.68 -23.35 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.652 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.54 -38.25 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.884 ' HE2' ' HA ' ' A' ' 97' ' ' ASN . 56.9 pttt -81.33 -21.68 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 112.014 -174.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.3 mt . . . . . 0 C--N 1.315 -0.915 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.305 175.233 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 ttm . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.08 0.467 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.666 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 51.1 tp -89.54 102.95 15.63 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.277 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.46 110.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.31 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 69.6 mt -95.75 -65.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 171.74 7.22 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -65.12 -38.98 92.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.223 0.535 . . . . 0.0 110.415 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -97.14 3.4 51.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.751 -175.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.08 118.95 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 0.0 110.56 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -127.46 144.12 51.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.674 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.666 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 63.3 mt -108.81 105.05 56.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.751 0.31 . . . . 0.0 110.775 176.194 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.4 146.27 97.03 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 111.592 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.28 -32.44 64.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.75 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.86 70.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.211 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.14 7.26 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 110.896 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.22 114.82 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.749 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 12.4 tp10 -90.46 102.34 15.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.327 0.584 . . . . 0.0 110.655 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.764 HD21 HD21 ' A' ' 88' ' ' LEU . 83.9 mt -102.05 110.18 22.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.949 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.59 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.76 149.16 42.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.304 178.365 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.43 147.75 30.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.792 0.329 . . . . 0.0 110.379 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 38' ' ' HIS . 13.6 mt -126.92 164.99 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.426 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.69 0.281 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.511 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 11.7 p -67.17 -72.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.278 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.34 82.47 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.237 0 O-C-N 124.033 0.833 . . . . 0.0 111.96 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 79.7 mtp -110.9 149.24 30.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.262 0.553 . . . . 0.0 111.109 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 17.7 t-80 -96.57 117.37 30.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.368 174.471 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.71 118.68 37.31 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.328 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 44.9 ttt180 -126.19 123.75 38.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.202 0.525 . . . . 0.0 110.842 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.7 t80 -132.84 104.49 6.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.295 175.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.39 89.8 4.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.567 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 54.5 mt -56.45 -41.36 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.29 0.567 . . . . 0.0 110.056 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -54.54 -48.34 72.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.062 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.52 -23.79 27.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.41 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.1 p -63.72 155.83 28.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.242 0.544 . . . . 0.0 111.496 -176.566 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.7 17.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.983 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.528 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 64.1 mt -62.1 142.22 95.59 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-O 120.599 0.238 . . . . 0.0 110.446 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 139.81 90.0 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.399 2.066 . . . . 0.0 111.394 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.84 -31.41 42.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.253 2.635 . . . . 0.0 112.49 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.607 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 88.9 t80 -54.03 -51.87 62.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -65.9 -37.62 86.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.567 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 99.2 mttt -60.58 -44.66 95.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.1 -46.23 91.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.752 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 6.9 mmm180 -59.22 -47.34 85.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 91.8 mt -64.98 -44.27 89.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.283 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.12 -42.27 98.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.497 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.44 21.08 1.53 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.868 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.543 HD21 ' HB1' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -80.45 163.97 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.025 0.44 . . . . 0.0 109.894 178.48 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' H ' HD13 ' A' ' 59' ' ' LEU . 9.1 t30 -90.28 13.52 15.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.62 0.724 . . . . 0.0 110.401 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -96.02 141.61 29.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.315 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -104.63 6.04 34.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.133 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HD2' ' H ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -97.08 -31.66 12.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.582 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.49 109.1 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.092 168.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -68.66 152.16 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -2.83 35.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.14 -12.91 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.22 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.69 47.47 6.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.065 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.7 t -130.22 123.92 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 36.2 mm -97.33 112.48 29.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.0 t -134.52 111.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.19 0.519 . . . . 0.0 110.487 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -134.67 168.97 18.04 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.63 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' MET . 61.0 mttp -128.62 107.14 9.45 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.55 116.79 31.56 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.707 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -123.2 26.41 8.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.405 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -72.72 -44.83 61.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.57 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.613 ' HD1' ' H ' ' A' ' 79' ' ' THR . 6.0 t80 -92.95 159.06 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.753 0.311 . . . . 0.0 110.462 -177.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' C ' ' HD3' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -70.38 -45.27 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.197 -178.439 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.613 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 5.4 p -97.99 149.9 21.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.649 0.262 . . . . 0.0 110.963 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.3 mt-30 -70.95 -48.95 50.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -175.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -37.41 85.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -176.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.7 -32.89 62.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.754 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.604 ' HB2' ' HB3' ' A' ' 77' ' ' TYR . 9.1 t30 -69.7 -37.59 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -54.49 -56.71 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.827 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.02 75.22 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.391 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.75 -50.99 68.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.589 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.69 -43.57 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.28 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.764 HD21 HD21 ' A' ' 17' ' ' LEU . 89.1 mt -63.86 -44.4 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.88 -41.41 87.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.286 0.565 . . . . 0.0 110.087 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.88 -42.02 98.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.16 -50.98 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.577 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.427 ' HB2' HD21 ' A' ' 2' ' ' LEU . 28.1 t -56.37 -43.27 79.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.78 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.28 -51.48 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.934 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.22 -46.32 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.57 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -52.49 46.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.583 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -73.79 -43.38 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.174 0.511 . . . . 0.0 111.138 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.51 -44.16 95.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.67 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -74.8 -15.58 60.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.553 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.03 -31.15 70.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.709 0.29 . . . . 0.0 111.421 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -11.16 37.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.621 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 98' ' ' ALA . 79.7 mt . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.086 0.469 . . . . 0.0 111.991 -173.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 47.3 tp -103.9 104.49 14.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.519 . . . . 0.0 109.845 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -75.16 115.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.597 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.04 -53.64 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.13 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -141.48 -175.73 4.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.343 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -59.89 -44.25 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.812 0.339 . . . . 0.0 111.539 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -112.07 15.8 20.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.068 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -124.25 118.34 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.246 0.546 . . . . 0.0 110.034 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -132.71 144.14 50.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.043 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.657 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 88.0 mt -110.86 108.21 57.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.02 143.56 79.18 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.945 2.43 . . . . 0.0 111.801 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.9 -32.32 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.286 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.25 67.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.196 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -92.83 4.74 53.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.844 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -115.07 118.08 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.393 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 17.1 tp10 -99.12 97.13 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 0.0 110.635 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.41 HD13 ' CG ' ' A' ' 84' ' ' ARG . 57.6 mt -110.74 109.29 19.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.864 175.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -105.47 153.06 22.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.325 -176.23 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.12 116.99 32.89 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 38' ' ' HIS . 64.5 mt -96.47 125.23 49.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.072 0.463 . . . . 0.0 110.624 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 121.115 0.483 . . . . 0.0 110.786 174.154 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.954 0.407 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.581 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.9 t -108.05 -1.76 20.19 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.7 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -77.78 111.81 13.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.269 -175.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.9 mtp -100.82 148.68 24.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.605 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 25.8 t-80 -99.73 128.88 45.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.592 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.557 HD22 ' HB1' ' A' ' 87' ' ' ALA . 41.2 tp -113.03 123.92 51.43 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.012 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 44.9 ttt180 -127.49 120.23 27.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.596 168.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.609 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 78.4 t80 -129.13 105.94 8.51 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.63 99.35 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.428 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.611 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 72.5 mt -62.46 -36.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.25 0.547 . . . . 0.0 109.73 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.73 -46.22 89.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.417 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.92 -10.55 36.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -169.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 p -78.24 171.8 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.217 0.532 . . . . 0.0 112.282 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 7.69 2.88 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.706 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.717 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.5 mt -65.03 134.35 96.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.717 0.294 . . . . 0.0 110.98 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 38.8 Cg_exo -62.61 150.29 88.27 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.54 2.16 . . . . 0.0 111.543 172.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.46 -32.03 41.27 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.147 2.565 . . . . 0.0 112.715 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -49.32 -50.91 37.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.187 0.518 . . . . 0.0 111.343 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.411 ' CD2' ' HD2' ' A' ' 49' ' ' PRO . 97.3 m-85 -73.93 -41.09 62.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.844 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.717 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.3 mttt -62.21 -40.71 96.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.682 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -58.84 -46.8 86.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 111.332 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.551 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . 35.4 mmt180 -66.06 -46.74 76.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 43' ' ' ILE . 84.3 mt -63.25 -44.49 95.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.801 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 1.3 tt -60.68 -40.03 90.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 0.0 110.605 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.98 26.61 6.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.858 -175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.518 HD13 ' H ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -89.6 157.74 17.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.372 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.518 ' H ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -99.29 15.55 25.82 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.96 135.27 50.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.004 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -84.06 4.93 27.9 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.38 -172.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.597 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.1 mmp_? -103.95 -11.87 17.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.306 0.575 . . . . 0.0 109.92 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 70' ' ' ILE . 52.2 mt -98.61 112.5 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.517 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.2 p -82.73 165.06 20.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.217 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -73.06 4.96 3.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 0.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.9 -19.05 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.304 0.573 . . . . 0.0 109.6 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 22.21 46.73 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.092 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.65 139.03 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 110.673 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 46.6 mm -80.94 123.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.807 174.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.405 ' C ' HD12 ' A' ' 72' ' ' LEU . 24.0 t -127.58 116.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 63' ' ' ARG . 5.8 mp -143.93 173.57 11.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.585 0.707 . . . . 0.0 111.767 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -132.74 110.37 10.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.091 -1.413 . . . . 0.0 108.473 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -84.94 101.55 12.44 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -136.67 19.88 3.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.284 0.564 . . . . 0.0 110.259 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -81.43 -41.77 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.402 ' HD2' ' H ' ' A' ' 79' ' ' THR . 2.1 t80 -93.75 162.49 13.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -174.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -65.72 -35.76 81.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.931 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.402 ' H ' ' HD2' ' A' ' 77' ' ' TYR . 28.4 p -110.03 145.65 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.772 0.32 . . . . 0.0 111.561 -176.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.581 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 43.5 mt-30 -60.86 -40.05 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.788 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -59.44 -45.29 92.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.463 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -74.69 -31.81 62.0 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.969 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -62.34 -44.07 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.025 0.44 . . . . 0.0 109.87 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' CG ' HD13 ' A' ' 17' ' ' LEU . 32.5 ttt180 -55.79 -51.49 67.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.506 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.33 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.761 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -69.09 -46.88 66.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.59 . . . . 0.0 110.046 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.557 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -59.12 -42.36 90.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.449 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.65 -31.17 72.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.218 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.91 -54.27 44.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 95' ' ' ILE . 2.9 tm? -56.5 -51.99 66.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.547 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.554 ' HB2' HD21 ' A' ' 2' ' ' LEU . 22.9 t -69.09 -37.16 78.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.249 -176.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 4.6 mm-40 -70.09 -47.23 62.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.449 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -60.44 -39.31 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -176.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 91' ' ' LEU . 55.6 mt -54.89 -50.23 63.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 0.0 111.116 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.543 HG12 ' HE3' ' A' ' 100' ' ' LYS . 40.1 t -76.15 -34.31 26.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.535 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 3.1 t-20 -64.26 -35.58 81.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.899 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 55' ' ' ARG . . . -61.01 -21.51 63.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.777 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.43 -18.65 58.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.377 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.543 ' HE3' HG12 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -89.53 -25.35 21.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 109.942 178.081 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 N--CA 1.441 -0.896 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.725 -175.957 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 49.3 ttm . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.611 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.1 tp -97.08 95.38 7.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.15 116.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.242 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -91.71 -52.94 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -148.76 -166.27 2.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.349 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.81 -52.16 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.417 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -108.89 13.34 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -172.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -124.91 117.45 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.356 0.598 . . . . 0.0 110.185 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 73.6 m-70 -133.93 133.28 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.014 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 89.2 mt -109.04 112.92 59.69 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-O 120.686 0.279 . . . . 0.0 110.628 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 27.2 Cg_exo -61.98 142.01 91.32 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.624 2.216 . . . . 0.0 111.171 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -55.15 -39.02 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.531 0.682 . . . . 0.0 110.703 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -11.7 57.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.348 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 23.4 mt-10 -86.81 -5.4 59.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.48 0.657 . . . . 0.0 110.167 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -108.88 111.73 37.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.303 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.6 tp10 -86.52 104.06 15.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 -178.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -96.38 110.47 22.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 3.7 m -115.44 155.05 28.15 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.39 132.43 53.96 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.377 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -115.03 119.46 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.847 0.356 . . . . 0.0 110.576 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.643 176.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.554 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.0 p -97.23 2.89 51.44 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.024 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.96 105.84 2.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.004 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 88.9 mmm -96.34 141.9 29.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.423 177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 57.3 t-80 -105.62 116.56 32.15 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.337 0.589 . . . . 0.0 109.413 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.752 HD23 HD21 ' A' ' 72' ' ' LEU . 62.3 tp -100.66 120.35 39.93 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.137 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 39.2 ttt180 -118.09 109.9 16.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -112.19 108.71 18.05 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.78 97.31 2.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.175 0.512 . . . . 0.0 111.316 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 56' ' ' LEU . 58.5 mt -54.63 -39.88 48.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.747 . . . . 0.0 109.579 173.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -66.18 -57.29 7.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.721 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.35 -20.97 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -63.28 155.72 27.71 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.181 0.515 . . . . 0.0 112.234 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -75.41 8.26 2.93 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.744 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' HG ' HD21 ' A' ' 10' ' ' LEU . 68.2 mt -65.6 137.65 96.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.817 177.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 52' ' ' TYR . 10.0 Cg_endo -54.38 153.25 23.18 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.195 2.597 . . . . 0.0 112.728 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 50.8 Cg_exo -54.86 -34.7 86.57 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.143 2.562 . . . . 0.0 112.29 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -54.02 -46.59 71.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.968 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 19.5 m-85 -71.23 -37.81 71.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.951 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -58.0 -44.5 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.043 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -57.08 -47.77 80.22 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.331 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -57.87 -48.75 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.595 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 43' ' ' ILE . 97.4 mt -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -178.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.29 -34.06 77.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.022 0.439 . . . . 0.0 111.928 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.97 18.88 5.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 2.6 tp -79.2 156.94 27.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.361 0.6 . . . . 0.0 109.383 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -97.41 16.51 19.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.227 -177.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.48 133.71 47.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.53 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.2 m -78.55 -2.55 39.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.03 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -81.74 -6.46 59.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.304 0.573 . . . . 0.0 109.83 173.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.2 mm -85.13 114.19 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.143 172.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.9 p -99.53 153.06 19.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 m -65.36 -16.13 63.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.187 0.517 . . . . 0.0 111.041 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.99 -9.01 57.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.326 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 46.46 30.2 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 63.2 t -135.61 135.27 51.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 111.119 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 38.9 mm -85.21 117.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.22 122.65 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.598 0.713 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD21 HD23 ' A' ' 39' ' ' LEU . 1.8 pt? -154.06 175.51 13.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.962 176.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.57 116.32 12.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.502 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 106.87 18.77 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.575 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.16 22.12 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.289 0.566 . . . . 0.0 110.101 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -64.42 -52.2 59.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.065 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -95.99 171.29 8.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -71.81 -42.71 66.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.843 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 p -99.62 156.84 16.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.951 0.405 . . . . 0.0 111.154 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 47.1 mt-30 -70.28 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.86 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -62.95 -29.5 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.224 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.99 -47.13 60.61 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.544 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 92.8 m-20 -66.63 -28.77 68.75 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.357 0.598 . . . . 0.0 110.305 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 39.3 ttt180 -54.59 -53.17 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.05 172.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.2 72.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.097 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 30.9 t70 -56.55 -53.73 54.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.671 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.564 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -57.4 -42.43 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.504 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.22 -41.9 93.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.007 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.6 -49.47 73.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.017 0.437 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -64.84 -29.71 70.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.39 -51.77 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.8 p -62.02 -37.12 83.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -64.5 -40.7 96.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.019 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.77 -44.37 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.972 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.8 t -74.65 -36.86 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.096 0.475 . . . . 0.0 110.508 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.84 -45.43 94.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.16 -17.1 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.61 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.0 -30.21 35.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.808 0.337 . . . . 0.0 110.544 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -91.81 -25.87 18.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.306 0.574 . . . . 0.0 110.847 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.351 -175.536 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.1 ttp . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.798 0.332 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.567 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.0 tp -83.93 97.62 9.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.435 0.636 . . . . 0.0 109.85 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.86 109.55 15.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.108 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.62 -41.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.964 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 t -146.08 175.54 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.115 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.02 -30.63 71.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.363 0.602 . . . . 0.0 110.297 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -111.69 7.62 20.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.251 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -128.03 117.78 46.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.188 0.518 . . . . 0.0 110.135 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -136.9 134.19 36.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.933 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 70.9 mt -114.97 108.67 48.11 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.422 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.787 ' HG2' ' HG3' ' A' ' 14' ' ' GLU . 17.9 Cg_endo -64.52 146.51 89.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.293 1.995 . . . . 0.0 111.846 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.39 -34.14 68.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.806 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.96 64.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.876 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.787 ' HG3' ' HG2' ' A' ' 11' ' ' PRO . 39.5 mt-10 -85.3 -0.62 55.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.159 0.504 . . . . 0.0 111.575 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -109.65 115.64 50.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.525 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.0 tp10 -85.45 91.87 8.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.278 0.561 . . . . 0.0 110.216 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 HD21 ' A' ' 88' ' ' LEU . 89.7 mt -93.38 115.68 28.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.246 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.28 158.82 43.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.543 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.49 141.72 44.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.5 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt -93.78 121.1 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.217 0.532 . . . . 0.0 110.438 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.612 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.441 -0.886 0 CA-C-O 120.819 0.342 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 75' ' ' GLN . 12.5 t -88.39 30.78 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.306 0.574 . . . . 0.0 109.477 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 118.81 30.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.997 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.594 ' SD ' ' HB3' ' A' ' 80' ' ' GLN . 87.9 mmm -107.74 147.44 30.78 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.168 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -109.58 116.93 32.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.087 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 2.7 mm? -112.21 119.95 40.11 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.616 -175.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 41.7 ttt180 -123.71 114.74 20.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.016 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 75.9 t80 -108.34 118.18 36.1 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.26 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -88.58 93.92 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.91 -31.64 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.789 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -66.8 -53.12 36.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.95 -178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.94 -31.17 45.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 p -58.29 154.94 12.45 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -76.94 34.93 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.485 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.693 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 73.6 mt -85.3 143.52 39.34 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.563 0.22 . . . . 0.0 110.53 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.16 146.61 87.13 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.343 2.029 . . . . 0.0 111.412 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.58 -31.77 71.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.992 2.461 . . . . 0.0 112.546 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -51.41 -46.88 63.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 81.9 m-85 -74.96 -45.9 39.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.763 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.693 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 97.6 mttt -57.72 -39.88 78.3 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.405 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.24 -57.12 14.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.239 0.542 . . . . 0.0 110.924 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -63.58 -29.52 70.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.325 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 95' ' ' ILE . 94.8 mt -68.8 -47.46 66.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.182 0.515 . . . . 0.0 110.294 173.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.08 -17.73 64.46 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.296 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.72 12.58 31.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.34 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 59' ' ' LEU . 12.0 mt -82.75 169.52 16.07 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-O 120.945 0.402 . . . . 0.0 110.092 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.92 16.21 26.36 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.425 0.631 . . . . 0.0 109.75 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.73 133.14 34.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.197 -174.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -79.77 -14.89 58.39 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.887 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -72.3 -24.45 61.33 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.238 0.542 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.6 mt -81.56 110.17 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.738 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.0 p -85.51 162.94 18.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.407 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.4 m -69.31 -16.21 63.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.453 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.04 -9.04 58.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.591 177.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.52 27.1 33.6 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.086 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -123.37 136.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 12.5 tt -115.2 127.87 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 8.3 p -124.02 137.79 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -177.158 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.17 164.06 29.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.633 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -124.91 106.38 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.197 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.4 103.73 15.93 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.1 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 35' ' ' SER . 37.7 tt0 -140.14 20.18 2.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.448 0.642 . . . . 0.0 109.659 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -81.34 -47.49 13.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.385 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.409 ' HD2' ' HB3' ' A' ' 82' ' ' GLN . 3.4 t80 -86.32 176.32 7.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.673 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -70.71 -32.02 69.08 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -126.12 149.78 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.183 0.516 . . . . 0.0 112.346 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.594 ' HB3' ' SD ' ' A' ' 37' ' ' MET . 49.5 mt-30 -68.21 -39.22 82.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.75 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 42.5 tt0 -61.51 -40.58 95.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.576 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.409 ' HB3' ' HD2' ' A' ' 77' ' ' TYR . 66.1 mm-40 -72.42 -38.58 68.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -61.0 -35.83 77.88 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 120.863 0.363 . . . . 0.0 110.108 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 64.3 ttt180 -57.2 -58.68 7.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.411 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.99 88.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.604 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.77 -49.8 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.58 86.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.446 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD21 HD21 ' A' ' 17' ' ' LEU . 84.0 mt -64.49 -37.56 87.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 tt -66.41 -45.26 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -62.29 -39.4 92.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.328 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 95' ' ' ILE . 45.7 tp -67.95 -52.21 38.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.248 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 p -61.04 -39.21 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -61.17 -50.27 73.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.662 175.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.66 -43.77 76.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.885 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.533 ' HA ' HD21 ' A' ' 56' ' ' LEU . 75.7 mt -58.88 -48.28 86.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.058 0.456 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.518 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 44.7 t -74.29 -34.83 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.411 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 16.9 t-20 -61.54 -37.13 82.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.777 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.41 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.939 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.7 -11.72 52.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.829 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 78.3 mttt -87.39 -26.24 23.42 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.086 0.469 . . . . 0.0 110.041 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 90.7 mt . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.314 -174.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 ttm . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.916 0.389 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.9 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 7.5 mp -87.23 102.15 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.936 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -76.54 110.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.505 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.8 mt -101.95 -42.56 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.306 0.575 . . . . 0.0 109.798 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.418 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 43.2 m -149.56 -175.43 5.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.674 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.32 -36.7 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.751 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -112.53 9.93 19.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.423 . . . . 0.0 111.204 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 47.2 t -124.74 117.63 50.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 109.925 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -143.54 144.55 32.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.776 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.9 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.5 mt -105.41 110.86 64.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.134 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.32 139.29 49.34 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.911 2.407 . . . . 0.0 111.848 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.79 -40.6 72.92 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.182 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -22.91 65.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.961 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.2 -1.07 57.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 110.971 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.405 HG22 ' HG ' ' A' ' 17' ' ' LEU . 55.1 mt -107.85 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.3 tp10 -88.9 107.97 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 88' ' ' LEU . 93.5 mt -110.53 111.92 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.034 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.568 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -100.08 142.07 32.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.145 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.3 130.89 52.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.179 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.9 mt -106.9 128.82 61.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.142 0.496 . . . . 0.0 110.728 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.487 174.748 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.028 0.442 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 m -82.26 0.89 39.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.154 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 116.44 17.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.662 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.48 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 88.8 mmm -109.06 152.3 25.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.305 177.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 42.5 t-80 -120.02 127.52 52.68 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' A' ' 87' ' ' ALA . 9.0 mp -104.79 135.19 46.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.607 -174.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 8.2 tpt180 -136.07 101.41 4.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 171.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 87.0 t80 -129.32 104.66 7.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.939 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.6 103.59 7.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.525 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 63.7 mt -59.8 -33.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.119 -0.696 . . . . 0.0 109.119 174.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -55.01 -56.64 17.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.849 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.92 1.08 50.02 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -78.09 166.17 23.11 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.055 0.455 . . . . 0.0 111.595 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 m -76.53 9.88 2.45 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.247 -176.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.666 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 79.8 mt -63.92 142.62 98.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.69 177.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 18.7 Cg_exo -67.06 136.98 42.83 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.36 2.04 . . . . 0.0 111.379 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 53' ' ' LYS . 10.0 Cg_endo -53.9 -29.18 52.39 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.108 2.538 . . . . 0.0 112.226 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.19 -46.67 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.576 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -77.05 -34.66 57.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.46 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.666 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.2 mttt -61.7 -44.81 96.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.142 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -38.38 79.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.372 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 96.2 mtt180 -63.55 -45.65 89.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 0.0 110.749 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD13 HD13 ' A' ' 43' ' ' ILE . 95.1 mt -64.08 -46.59 83.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.1 -25.06 67.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.056 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.06 9.12 37.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.838 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.14 159.82 27.27 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.242 0.544 . . . . 0.0 110.311 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -96.64 16.51 18.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.696 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 9.7 t70 -87.49 160.94 18.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.528 -172.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.9 m -100.92 -15.9 17.38 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.62 -174.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 12.7 mmt180 -75.8 -38.4 58.26 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.67 109.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.655 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.6 161.0 27.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -73.99 -5.74 43.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -169.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -99.17 0.41 43.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.09 50.45 22.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.864 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG12 HG23 ' A' ' 71' ' ' VAL . 47.4 t -129.39 137.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.779 0.323 . . . . 0.0 110.189 -178.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.0 mm -104.14 108.34 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.1 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.479 ' C ' HD12 ' A' ' 72' ' ' LEU . 34.9 t -126.74 112.53 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 71' ' ' VAL . 8.3 mp -135.09 173.92 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.386 0.612 . . . . 0.0 111.379 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -133.81 107.0 7.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.166 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -93.56 114.87 27.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.679 -171.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -149.08 94.7 2.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.063 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -140.37 -64.19 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.45 175.9 10.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.575 -173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -57.39 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.925 -177.105 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.4 p -106.89 159.26 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.232 0.539 . . . . 0.0 112.108 -170.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.42 -36.8 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.665 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.29 -50.98 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.05 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.77 -32.88 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.216 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -65.81 -35.54 80.98 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.839 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -60.92 -53.58 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.472 0.654 . . . . 0.0 109.934 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.6 90.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.996 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.54 -53.88 48.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.537 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -60.01 -46.66 88.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.795 -177.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.407 HD21 HD11 ' A' ' 17' ' ' LEU . 78.6 mt -63.85 -39.31 93.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 111.371 -178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.85 -47.86 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 109.859 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.34 -28.3 66.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.235 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.91 -51.64 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.084 0.468 . . . . 0.0 110.218 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 p -64.96 -35.2 80.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.573 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.06 -54.82 40.35 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.083 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 tt -52.0 -47.51 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.908 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -63.23 -52.06 63.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.897 0.379 . . . . 0.0 111.846 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.435 HG12 ' NZ ' ' A' ' 100' ' ' LYS . 40.1 t -73.21 -34.04 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.457 0.646 . . . . 0.0 110.718 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -68.04 -42.17 80.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HA ' ' HB3' ' A' ' 101' ' ' LEU . . . -64.43 -14.26 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.754 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.467 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -70.29 -19.27 63.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.435 ' NZ ' HG12 ' A' ' 96' ' ' VAL . 12.1 mptt -95.88 -13.35 24.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.283 0.563 . . . . 0.0 110.134 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.531 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . 19.7 tp . . . . . 0 N--CA 1.432 -1.335 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.81 -165.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.934 0.397 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.597 HD23 HD12 ' A' ' 10' ' ' LEU . 58.5 tp -83.17 95.86 8.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.177 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.0 109.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.033 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.73 -37.74 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.258 0.552 . . . . 0.0 110.101 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -151.79 171.4 17.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.544 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -64.21 -27.77 69.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 0.0 110.205 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -108.01 6.13 26.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.281 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -136.11 118.05 20.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.753 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -133.84 137.26 44.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.597 HD12 HD23 ' A' ' 2' ' ' LEU . 67.7 mt -114.61 114.98 44.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.32 145.6 78.24 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.897 2.398 . . . . 0.0 111.924 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -62.69 -29.13 70.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.23 0.538 . . . . 0.0 111.299 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -23.0 66.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.198 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -88.45 8.97 25.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.07 0.462 . . . . 0.0 110.986 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.74 114.92 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.525 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -102.09 118.41 36.83 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.217 0.532 . . . . 0.0 110.522 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HG ' ' HE ' ' A' ' 84' ' ' ARG . 3.2 mm? -99.64 110.75 23.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.336 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.586 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -106.41 148.17 28.42 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.524 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.83 132.9 49.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.0 mt -93.5 105.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 109.884 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.667 -178.642 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.844 0.354 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.4 m -101.57 7.35 42.28 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.884 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.95 122.4 20.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.627 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.429 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 93.4 mmm -106.73 148.94 27.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.733 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.586 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 32.1 t-80 -116.05 123.79 48.81 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.073 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.12 131.97 54.66 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.493 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -122.83 119.01 29.29 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.717 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.1 t80 -127.55 102.3 6.79 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.799 176.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.73 100.54 4.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.386 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 70' ' ' ILE . 76.6 mt -58.34 -29.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.808 0.814 . . . . 0.0 109.341 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.73 -48.35 72.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.051 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.17 9.62 42.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -171.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 p -91.48 176.68 6.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.865 0.365 . . . . 0.0 111.294 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -83.86 19.2 1.77 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.642 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 89.1 mt -71.82 126.04 91.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 177.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 32.2 Cg_exo -59.33 151.58 66.88 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.921 2.414 . . . . 0.0 112.201 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.68 -45.32 24.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.757 2.972 . . . . 0.0 113.107 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -54.39 -52.19 62.47 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.041 0.448 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 97.8 m-85 -67.8 -43.61 79.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.003 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 37.5 ttmt -57.57 -45.54 85.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.093 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.91 -50.05 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.219 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -58.76 -42.13 88.21 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.621 0.768 . . . . 0.0 111.611 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 96.4 mt -66.28 -46.36 77.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.199 0.523 . . . . 0.0 110.865 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.551 HD21 ' HA2' ' A' ' 68' ' ' GLY . 30.5 mt -67.89 -19.05 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.079 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.02 14.75 28.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.446 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.7 mt -81.72 174.97 10.85 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 121.192 0.52 . . . . 0.0 110.481 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.54 16.2 24.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.537 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.63 -175.87 5.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.974 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -127.22 -17.34 4.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.965 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -75.52 -24.68 56.82 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 175.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.4 HG12 HD11 ' A' ' 70' ' ' ILE . 62.8 mt -93.63 112.64 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.841 176.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.6 p -81.49 149.96 28.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.499 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -65.48 -19.4 65.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.32 -23.89 59.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.48 0.657 . . . . 0.0 110.135 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.551 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . 101.86 31.05 5.55 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.849 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.34 128.88 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 28.6 mm -87.87 115.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.773 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.434 ' C ' HD12 ' A' ' 72' ' ' LEU . 44.0 t -124.29 119.54 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.117 0.485 . . . . 0.0 110.924 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -138.17 172.7 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -132.25 109.6 10.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -84.41 112.79 20.68 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.535 -176.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -142.04 27.36 1.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.006 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.66 -36.68 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.618 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.37 163.65 13.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.643 -177.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -88.17 -32.21 18.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.33 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -85.54 126.85 34.18 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.263 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -58.24 -39.98 80.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.746 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.71 -48.77 58.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.21 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -68.88 -32.84 72.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.66 -36.79 84.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.321 0.581 . . . . 0.0 109.958 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HE ' ' HG ' ' A' ' 17' ' ' LEU . 45.0 ttt180 -62.08 -50.59 71.36 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.68 174.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.43 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.571 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 26.1 t70 -58.63 -53.46 58.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.68 78.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.676 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 92.6 mt -66.35 -45.21 80.96 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.004 0.431 . . . . 0.0 110.91 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.42 -41.34 89.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 6.7 ttt180 -62.76 -41.23 99.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.908 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 95' ' ' ILE . 52.5 tp -62.11 -52.31 64.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.832 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 p -62.38 -40.29 95.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.184 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.25 -49.53 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.063 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.63 -44.26 93.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.719 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -59.09 -48.02 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 50.8 t -71.73 -39.6 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 10.8 t-20 -62.82 -41.43 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.442 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.53 73.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.004 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.04 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.82 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 56.7 mtpt -72.48 -21.03 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.37 0.605 . . . . 0.0 110.392 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.442 -0.843 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.167 -178.611 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 52.9 ttm . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.841 0.353 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.928 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 6.5 mp -82.47 89.01 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.058 0.456 . . . . 0.0 109.968 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.12 109.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.977 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.5 mt -100.76 -41.39 8.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.307 0.575 . . . . 0.0 109.67 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.704 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 18.6 m -127.73 163.05 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.608 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -61.07 -35.99 78.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.817 0.342 . . . . 0.0 110.783 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -108.12 10.74 27.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.105 0.478 . . . . 0.0 110.841 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.704 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 91.0 t -130.25 117.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 110.274 -178.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.427 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 19.5 m-70 -133.8 148.9 51.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.985 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.928 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.1 mt -112.64 117.82 46.15 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.75 0.31 . . . . 0.0 110.606 173.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -73.05 142.81 35.1 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.896 2.397 . . . . 0.0 111.89 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.53 -39.21 72.97 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.94 67.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.236 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.17 -5.03 59.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.473 . . . . 0.0 111.161 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -104.96 114.04 43.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.399 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 5.5 tp10 -92.72 108.59 20.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.004 0.431 . . . . 0.0 110.679 -175.717 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -94.1 110.39 22.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.683 176.288 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.646 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -103.21 157.06 17.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.806 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.35 133.98 55.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.156 0.503 . . . . 0.0 111.364 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.527 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 19.3 mt -109.0 168.16 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' HG22 ' A' ' 20' ' ' ILE . 70.2 ttt180 . . . . . 0 C--N 1.314 -0.941 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 120.409 0.147 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -53.35 -60.33 3.44 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.821 0.7 . . . . 0.0 110.494 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB1' ' HB ' ' A' ' 20' ' ' ILE . . . 47.86 85.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 O-C-N 124.222 0.951 . . . . 0.0 113.455 173.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.634 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 25.8 mtt -100.04 153.48 19.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.58 0.705 . . . . 0.0 110.249 171.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.646 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 37.5 t-80 -114.48 122.37 46.39 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.738 178.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.58 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 mm? -96.83 126.52 42.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.696 -174.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 60.4 ttt180 -128.89 118.27 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.055 170.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.606 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.7 t80 -130.86 111.58 12.23 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.228 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.12 99.56 7.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.207 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.638 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 59.7 mt -61.16 -34.1 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.012 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.76 -49.77 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.346 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.32 1.83 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.2 p -77.63 161.16 28.02 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -73.51 2.76 7.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.437 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.551 ' HG ' HD21 ' A' ' 10' ' ' LEU . 78.3 mt -62.27 141.43 96.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 111.012 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 16.1 Cg_exo -69.05 153.75 71.66 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.668 2.245 . . . . 0.0 111.286 173.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.63 -27.67 52.24 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.101 2.534 . . . . 0.0 112.433 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.413 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.0 t80 -53.7 -52.44 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.143 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -74.28 -35.64 63.76 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.89 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.638 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.4 mttt -59.07 -42.76 91.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.09 -52.2 66.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.5 mmm180 -54.76 -39.83 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.582 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 93.2 mt -73.51 -46.32 48.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.335 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.3 tp -64.8 -41.95 95.39 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.13 21.43 1.67 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.199 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 8.2 mt -87.8 175.23 7.93 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.446 0.641 . . . . 0.0 111.255 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -111.2 15.49 21.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.311 1.053 . . . . 0.0 108.735 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.628 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 2.7 t70 -86.51 127.68 34.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.713 -171.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 p -83.66 4.56 28.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.908 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.628 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 4.9 ptp180 -89.83 -6.68 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.9 mt -109.65 130.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.066 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.8 p -90.89 150.64 21.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.574 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 m -64.29 -14.53 56.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.21 -12.72 45.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.507 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 38.69 5.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -124.22 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.732 0.301 . . . . 0.0 110.432 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.606 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.4 mm -95.36 119.19 43.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.797 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -136.09 118.06 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.458 0.647 . . . . 0.0 110.95 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.466 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.1 mp -137.41 176.46 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -124.53 114.76 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.107 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -93.75 102.18 14.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.557 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -136.55 24.18 3.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.815 0.817 . . . . 0.0 109.443 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.58 -57.31 4.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.697 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -83.07 162.37 21.38 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.763 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -71.54 -36.75 71.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.522 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 p -99.57 160.18 14.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.96 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -74.99 -44.41 48.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.182 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.33 -35.53 81.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.4 -33.08 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 0.0 110.562 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -66.95 -44.73 79.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.256 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.56 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 29.0 ttt-85 -51.17 -53.02 38.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.456 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.98 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.974 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.616 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 17.3 t70 -66.19 -44.29 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.329 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.83 78.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 90.3 mt -64.62 -35.22 80.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.464 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -69.53 -39.59 77.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.447 178.674 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 23.6 mmt180 -66.26 -34.14 77.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.44 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.42 -50.83 66.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -66.62 -40.66 88.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 3.5 tm-20 -55.41 -48.27 74.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.002 175.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.496 HD13 HH11 ' A' ' 63' ' ' ARG . 62.5 tp -56.14 -44.74 79.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.622 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.02 -46.78 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.777 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.68 -37.38 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.166 0.508 . . . . 0.0 110.165 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 3.3 t-20 -61.41 -45.33 94.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.615 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 59' ' ' LEU . . . -66.76 -24.24 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.7 24.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -94.8 -26.66 16.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 111.444 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.594 -177.234 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 48.2 tp -93.89 98.13 10.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.9 t -87.46 110.63 20.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.33 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -95.99 -38.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.444 0.64 . . . . 0.0 110.03 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -151.11 176.25 11.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.224 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.88 -42.27 93.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.859 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.24 10.16 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.185 0.517 . . . . 0.0 110.787 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.84 118.01 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.079 0.466 . . . . 0.0 110.727 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -133.13 152.56 51.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.508 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.661 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.2 mt -123.44 132.63 24.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 13.2 Cg_exo -69.6 135.44 30.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.749 2.299 . . . . 0.0 112.165 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.55 -39.66 77.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.101 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -26.33 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.869 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -87.33 6.73 32.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -116.52 118.87 60.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.553 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 13.4 tp10 -99.3 108.76 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.018 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.7 110.64 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.948 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -115.91 153.09 32.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.211 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.43 126.75 53.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.711 0.291 . . . . 0.0 110.666 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.85 119.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 110.574 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.121 -179.241 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 80' ' ' GLN . 43.3 m -98.72 7.47 46.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.106 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.58 117.16 18.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.41 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mtp -99.12 147.78 24.73 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.486 0.66 . . . . 0.0 111.261 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 19.2 t-80 -107.69 126.83 53.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.782 174.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.6 tp -120.73 128.7 53.18 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.194 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 29.3 ttt180 -121.3 113.26 19.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.08 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -110.95 105.74 14.62 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 46' ' ' SER . 8.5 t70 -74.19 120.25 19.5 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.26 -174.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.506 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 62.8 mt -80.24 -37.34 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.64 -57.66 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.252 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.05 13.94 15.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.215 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 83.0 p -68.37 146.11 53.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.651 0.262 . . . . 0.0 110.793 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 m -75.96 15.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.75 0.31 . . . . 0.0 111.628 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 87.5 mt -80.35 124.04 82.67 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.451 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 52' ' ' TYR . 73.1 Cg_exo -51.13 160.58 2.01 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.335 2.69 . . . . 0.0 112.87 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.89 -31.43 33.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.363 2.708 . . . . 0.0 112.601 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.76 -50.05 66.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 95.6 m-85 -69.98 -40.98 75.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.55 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 43' ' ' ILE . 42.3 mmtm -50.28 -53.14 30.59 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.328 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -55.82 -47.33 77.39 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 112.105 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 16.6 mmt-85 -60.49 -39.61 88.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.605 0.24 . . . . 0.0 111.633 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.8 -47.76 43.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.64 -27.96 69.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.078 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.29 16.05 25.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.07 157.58 18.28 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -100.42 16.0 25.99 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.029 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.24 144.36 27.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.436 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 m -76.58 -14.63 59.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.687 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HB3' HD12 ' A' ' 70' ' ' ILE . 27.9 mmt180 -67.62 -26.33 66.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.114 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.4 mm -77.99 115.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.052 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.2 p -106.92 159.67 16.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.208 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -70.55 -25.86 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.508 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -70.04 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 109.647 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 39.39 5.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.597 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 59.1 t -141.06 137.74 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 40.9 mm -84.26 109.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.2 t -117.54 126.49 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.385 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.22 163.08 34.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 111.151 177.309 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -136.98 106.47 6.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.157 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.99 114.31 27.13 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -168.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -121.16 30.29 6.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 166.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -57.18 -40.8 78.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.26 -1.337 . . . . 0.0 111.045 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.456 ' HD1' ' H ' ' A' ' 79' ' ' THR . 3.8 t80 -102.1 160.99 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.8 -41.61 95.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.75 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.456 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 3.3 p -101.93 145.37 29.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.692 -176.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.483 ' HB2' ' HA ' ' A' ' 35' ' ' SER . 8.3 tt0 -69.46 -36.87 77.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.086 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 81' ' ' GLU . 1.4 mp0 -58.59 -37.83 76.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.658 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -75.1 -38.92 61.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.243 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.91 -39.74 75.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.939 0.4 . . . . 0.0 110.346 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -55.9 -57.32 12.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.215 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.66 -34.73 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.434 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.02 -53.1 59.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.792 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.76 92.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.617 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.94 -35.27 79.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -53.14 46.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.849 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -67.5 -28.49 67.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.726 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.56 -50.85 70.98 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -65.34 -36.57 84.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.295 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.02 -47.82 81.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.877 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.72 -40.58 75.94 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.311 0.382 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.61 -48.9 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.53 HG12 ' HE2' ' A' ' 100' ' ' LYS . 36.5 t -76.46 -34.17 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.255 0.55 . . . . 0.0 110.105 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -53.39 -54.82 31.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.374 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.35 64.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.722 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.477 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -72.44 -23.8 61.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.339 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.53 ' HE2' HG12 ' A' ' 96' ' ' VAL . 66.1 mttm -85.69 -26.52 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 111.295 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.934 178.269 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 56.4 ttp . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.083 0.468 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 58.8 tp -88.15 99.97 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.632 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.28 109.89 18.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.978 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -79.9 -43.08 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.633 0.73 . . . . 0.0 109.938 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -151.5 172.47 15.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.731 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -45.69 -46.69 15.0 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -176.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -106.25 13.79 28.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.62 117.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.413 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 60.8 m-70 -131.4 135.77 47.46 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.899 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 10' ' ' LEU . 27.0 mt -113.07 104.57 55.82 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.77 145.52 89.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.871 2.381 . . . . 0.0 112.149 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.91 -40.82 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.308 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.2 -29.84 70.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.824 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -89.44 2.25 54.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 111.587 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.406 HG22 ' HG ' ' A' ' 17' ' ' LEU . 58.5 mt -100.18 102.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.485 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.5 tp10 -81.99 104.24 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 110.301 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD13 ' HE ' ' A' ' 84' ' ' ARG . 90.4 mt -110.38 134.61 52.14 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.629 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.92 156.17 47.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.54 127.76 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -89.11 112.43 24.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.981 -174.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.612 0.72 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.584 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 44.6 m -134.69 7.44 3.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.863 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.99 102.65 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.32 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.4 mmm -96.62 141.44 29.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.788 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -119.21 126.93 52.71 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.682 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' HG ' HD23 ' A' ' 17' ' ' LEU . 8.3 mp -115.36 136.88 52.63 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.79 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 26.7 ttt180 -126.32 124.54 40.51 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.242 173.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -121.0 100.46 7.09 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.868 0.365 . . . . 0.0 110.064 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.89 92.72 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.194 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.542 HD13 ' HB3' ' A' ' 56' ' ' LEU . 64.6 mt -57.43 -37.12 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.634 . . . . 0.0 110.261 178.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.89 -44.59 72.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.3 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.68 -22.81 25.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.4 p -61.81 161.89 9.61 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 p -88.28 23.19 2.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.923 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.55 148.13 98.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.137 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.4 141.27 95.19 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.604 2.203 . . . . 0.0 111.492 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.537 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 9.5 Cg_endo -50.94 -38.79 59.2 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.432 2.755 . . . . 0.0 112.895 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -55.37 -49.15 73.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.204 0.526 . . . . 0.0 111.185 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -70.83 -36.67 73.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.941 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 94.0 mttt -58.87 -41.64 87.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.965 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 48.1 mt-10 -59.74 -46.03 90.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 111.002 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -62.35 -36.13 81.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.402 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 43' ' ' ILE . 94.4 mt -73.3 -46.16 51.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.154 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 89.9 mt -63.1 -39.13 93.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.8 45.3 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.466 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -84.64 -173.17 4.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.066 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -114.47 16.29 17.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.14 173.23 9.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.76 -176.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -119.76 -16.88 8.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.694 -175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 63' ' ' ARG . 55.9 mtt-85 -94.07 -14.99 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.93 114.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.183 170.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.62 162.29 24.3 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -176.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -86.72 10.42 15.85 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -166.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.75 0.11 23.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.541 0.686 . . . . 0.0 109.374 173.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.12 53.67 2.0 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.407 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.34 135.27 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 110.778 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.96 133.09 41.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.386 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.2 129.87 57.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.73 -177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -141.58 164.44 30.22 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -142.57 106.38 4.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.726 0.774 . . . . 0.0 109.956 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.78 102.0 14.7 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.495 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -132.77 46.75 2.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.141 177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -108.35 -43.06 4.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.301 -173.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.35 168.84 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.99 -175.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 78' ' ' ARG . 40.1 ttt-85 -68.89 -42.91 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -173.211 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.8 p -108.93 157.88 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.81 0.338 . . . . 0.0 111.455 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.584 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.0 mt-30 -63.84 -43.37 96.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.424 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -62.36 -37.4 85.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.555 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -70.61 -39.7 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.894 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -66.75 -37.32 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.197 0.523 . . . . 0.0 109.828 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HE ' HD13 ' A' ' 17' ' ' LEU . 36.9 ttt180 -62.88 -48.8 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.194 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.53 89.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.065 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.47 -52.74 63.58 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.18 0.514 . . . . 0.0 110.874 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.26 91.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.45 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.97 -42.26 94.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.865 0.365 . . . . 0.0 111.103 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.23 -51.56 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.296 0.57 . . . . 0.0 109.536 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -62.66 -42.78 99.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.16 -48.17 81.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.298 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -63.23 -39.4 94.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.765 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.09 -43.74 81.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.129 0.49 . . . . 0.0 109.956 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.45 -44.1 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.459 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.541 ' HA ' HD21 ' A' ' 56' ' ' LEU . 70.7 mt -57.96 -49.27 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.108 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.44 -41.46 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.111 0.481 . . . . 0.0 110.417 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.2 t-20 -63.43 -34.58 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.791 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.17 70.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.72 62.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.32 -21.25 18.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.538 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 78.1 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.959 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -95.59 100.83 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.748 -176.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.16 110.48 20.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.177 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.1 mt -94.34 -65.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.059 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -127.92 -170.71 2.29 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -66.8 -45.39 78.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -96.77 2.38 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.174 0.512 . . . . 0.0 111.459 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -125.19 116.89 48.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.071 0.462 . . . . 0.0 110.684 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -135.48 141.39 45.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.671 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 69.7 mt -106.9 101.92 39.81 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-O 120.856 0.36 . . . . 0.0 110.09 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.92 147.31 95.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.445 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.75 -33.69 64.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -25.18 67.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.494 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.39 -4.51 58.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.224 0.535 . . . . 0.0 110.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' HG ' ' A' ' 17' ' ' LEU . 45.2 mm -115.13 121.71 67.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.494 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 31.5 tt0 -101.7 95.35 6.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 0.0 109.934 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.553 ' HG ' HG22 ' A' ' 15' ' ' ILE . 94.9 mt -100.31 109.36 21.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.69 126.96 55.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.907 0.384 . . . . 0.0 111.276 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.98 120.0 32.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.302 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mt -117.54 160.17 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 . . . . . 0 C--N 1.315 -0.913 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.043 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.441 -0.906 0 CA-C-O 120.762 0.315 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -90.57 29.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.007 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.2 114.72 25.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.191 0.52 . . . . 0.0 111.396 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 70.4 mtp -114.57 154.48 28.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.111 0.481 . . . . 0.0 111.003 174.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -123.9 131.49 53.59 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.3 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.7 mp -113.57 139.95 48.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.268 177.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.546 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 38.9 ttt180 -144.54 107.51 4.5 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.529 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.5 t80 -123.34 112.98 18.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.091 0.472 . . . . 0.0 111.101 -176.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 46' ' ' SER . 1.2 m-20 -75.03 97.77 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.472 176.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.21 -34.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -59.17 -43.67 92.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.485 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.68 15.99 25.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 96.3 p -72.47 177.05 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 111.367 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -85.84 3.57 41.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.545 HD11 HD21 ' A' ' 10' ' ' LEU . 8.9 mp -68.43 136.97 90.96 Favored Pre-proline 0 CA--C 1.521 -0.172 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.586 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.75 145.64 89.2 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.602 2.201 . . . . 0.0 111.311 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.99 -37.56 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.684 2.923 . . . . 0.0 113.147 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.526 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 88.6 t80 -57.82 -54.08 50.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 39.6 ttmt -59.54 -46.5 88.68 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.966 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.49 -45.62 91.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.623 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 51' ' ' PHE . 57.4 mtp85 -58.74 -43.79 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.17 -45.42 85.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 0.0 111.085 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 73.4 mt -60.76 -29.04 69.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.96 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.44 31.58 5.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.816 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 59' ' ' LEU . 8.0 mt -87.59 170.05 11.63 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.023 0.44 . . . . 0.0 111.056 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.92 16.06 25.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.647 0.737 . . . . 0.0 109.128 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.8 165.47 22.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.995 -174.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -105.9 -12.27 15.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.132 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -39.57 15.22 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.0 mt -84.38 118.13 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.088 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.1 p -87.53 156.22 19.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.447 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 m -69.6 -7.61 40.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.79 -18.77 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.318 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' CD2' ' A' ' 57' ' ' LEU . . . 105.0 13.76 24.46 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.594 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.47 135.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.556 HG12 HD11 ' A' ' 72' ' ' LEU . 12.0 tt -99.72 120.6 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.104 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 4.0 mp -136.99 160.46 38.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.238 0.542 . . . . 0.0 110.251 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -130.35 104.85 7.51 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -87.86 101.8 14.08 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.404 -174.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.1 87.23 1.26 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.195 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -139.5 -42.42 0.45 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.85 178.15 8.31 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.256 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -70.55 -43.24 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.808 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.4 p -112.7 161.14 17.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.842 0.353 . . . . 0.0 111.5 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -67.92 -35.49 78.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.552 0.692 . . . . 0.0 109.268 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.47 -37.68 78.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.887 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -75.5 -40.43 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.585 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 91.3 m-20 -63.39 -34.42 77.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.241 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.31 -48.69 73.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.744 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.43 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.516 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.66 -49.43 76.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 0.0 110.354 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.71 99.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.89 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.8 -37.71 85.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.95 -43.12 83.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.3 0.572 . . . . 0.0 109.753 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 90' ' ' ARG . 3.8 ttt180 -61.17 -41.42 96.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.793 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.3 tp -58.63 -51.41 70.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.628 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 m -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.893 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -59.21 -41.07 87.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.505 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.29 -47.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -47.81 85.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.29 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -66.71 -38.3 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.329 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.61 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.712 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.83 71.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 100' ' ' LYS . 0.7 OUTLIER -96.01 -20.41 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.266 -179.069 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.549 178.049 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.894 0.378 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 3.8 mm? -97.17 103.3 15.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.208 0.528 . . . . 0.0 110.168 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -80.67 110.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.982 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -93.73 -41.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.283 0.563 . . . . 0.0 110.032 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 t -148.52 -177.2 5.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.154 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.08 -48.29 80.59 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.153 0.283 . . . . 0.0 111.489 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -111.89 19.26 18.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.37 0.605 . . . . 0.0 110.581 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.49 118.49 53.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -139.06 143.53 38.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.583 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 76.4 mt -109.45 103.62 53.24 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.78 140.11 78.45 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.678 2.252 . . . . 0.0 111.486 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.12 -39.04 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.16 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.82 -27.42 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.632 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -84.63 0.12 51.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -113.66 118.37 58.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.425 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.6 tp10 -73.86 103.74 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.958 0.409 . . . . 0.0 110.334 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.2 111.27 23.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.109 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.2 m -119.86 158.77 25.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.214 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.01 134.02 52.58 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 38' ' ' HIS . 53.9 mt -106.13 99.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.875 0.369 . . . . 0.0 110.055 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.594 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.57 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 12.2 p -123.55 10.19 9.09 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.822 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -84.51 116.74 23.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.017 -172.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.572 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 2.2 mmt -100.66 145.6 28.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.04 172.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.656 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 34.3 t-80 -115.56 123.36 48.28 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.94 124.44 47.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.416 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.571 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 19.8 ttt180 -118.92 113.3 20.81 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 171.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -113.46 104.89 12.73 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.086 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.82 100.13 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.154 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.21 -38.17 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.252 0.548 . . . . 0.0 109.911 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -56.42 -52.07 66.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.594 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.69 14.46 31.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -170.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 p -96.39 161.37 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.152 -0.343 . . . . 0.0 110.754 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -78.73 41.51 0.42 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.052 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.54 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 58.6 mt -86.48 147.96 45.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 16.7 Cg_exo -69.25 141.95 48.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.476 2.118 . . . . 0.0 111.477 173.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 78.2 Cg_exo -51.38 -38.63 63.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.407 2.738 . . . . 0.0 113.39 -177.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -53.6 -50.54 65.42 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.262 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -72.36 -31.82 65.94 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.274 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 93.0 mttt -63.99 -40.09 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.31 -46.91 88.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.664 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 13.9 mmt180 -64.91 -34.79 79.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -177.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' A' ' 95' ' ' ILE . 93.1 mt -66.75 -45.09 79.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.7 mt -70.13 -17.64 63.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.598 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.92 5.61 49.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.432 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.39 153.17 23.59 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 110.086 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -96.77 16.11 20.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.631 0.729 . . . . 0.0 109.767 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -83.78 133.73 34.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.51 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.2 t -84.31 -3.6 58.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -86.44 -15.15 41.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.459 HG12 HD11 ' A' ' 70' ' ' ILE . 64.4 mt -81.03 108.24 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.637 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -76.16 156.87 33.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.269 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 m -61.88 -25.99 67.88 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -73.41 -14.96 61.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.44 42.32 7.95 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.467 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.1 t -124.0 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.816 0.341 . . . . 0.0 110.49 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.521 HG22 HD11 ' A' ' 72' ' ' LEU . 48.4 mm -102.51 115.49 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.017 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.21 126.13 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.08 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD11 HG22 ' A' ' 70' ' ' ILE . 3.0 mp -125.47 157.15 37.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.543 0.687 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.82 104.84 7.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.472 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -88.15 100.02 12.64 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.898 -178.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -146.66 76.21 1.42 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -140.92 -37.32 0.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.77 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.4 164.64 19.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.86 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -68.38 -40.08 81.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.726 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.6 p -113.57 151.74 31.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 111.522 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.57 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 50.6 mt-30 -61.23 -36.67 80.58 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.941 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.32 -50.77 72.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.272 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -66.53 -37.08 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.933 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.1 -40.31 97.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.274 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -62.49 -47.74 82.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.116 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.56 93.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.371 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 31.7 t70 -64.75 -49.51 70.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.371 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.01 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.784 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.66 -38.05 89.65 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.857 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.3 tp -69.77 -39.71 76.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.269 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 28.0 mtp180 -67.58 -39.16 84.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.083 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.76 -51.38 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.912 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 p -66.51 -42.9 86.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.442 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.29 -42.6 98.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.161 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.53 -42.25 82.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.728 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.511 ' HA ' HD21 ' A' ' 56' ' ' LEU . 67.0 mt -60.74 -43.8 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.01 -34.64 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.309 0.576 . . . . 0.0 110.195 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.435 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 2.4 t-20 -64.4 -41.95 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.48 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -35.27 68.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.004 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.445 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -70.61 -18.62 62.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.917 0.389 . . . . 0.0 111.038 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.699 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -95.38 -16.16 22.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 110.79 -178.824 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 87.1 mt . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.03 -173.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 59.8 tp -86.39 96.41 10.0 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.64 110.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.752 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.0 mt -99.03 -41.63 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.382 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -153.26 -175.22 5.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.883 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.93 12.39 27.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.398 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.73 117.19 49.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.524 . . . . 0.0 110.357 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -141.09 138.91 33.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.429 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 66.1 mt -118.16 123.21 29.63 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.583 0.23 . . . . 0.0 110.742 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.482 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 32.3 Cg_exo -61.96 141.11 88.21 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.523 2.149 . . . . 0.0 111.362 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -55.96 -39.98 72.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.936 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -20.32 62.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.975 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 28.4 mt-10 -84.13 2.15 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 0.0 111.01 -177.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -118.19 114.15 44.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.452 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.629 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 29.4 tt0 -79.97 106.73 12.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.885 0.374 . . . . 0.0 110.034 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -95.09 108.56 20.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.45 167.53 16.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.28 146.61 46.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.545 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.5 mt -104.88 112.02 36.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.979 -176.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 120.634 0.254 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 p -84.82 -11.35 55.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.18 107.35 1.03 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.937 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.5 mmm -96.23 147.41 23.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.057 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -109.15 122.82 48.12 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.542 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 3.5 mm? -111.69 130.12 55.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.558 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 42.8 ttt180 -137.92 106.91 5.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.01 124.28 50.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -90.48 107.35 19.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.099 0.476 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' A' ' 56' ' ' LEU . 35.8 mt -78.04 -24.22 13.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.417 0.627 . . . . 0.0 110.037 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.24 -52.1 56.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.905 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.6 12.73 18.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 p -74.92 172.55 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.864 0.302 . . . . 0.0 111.186 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.93 16.19 1.25 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.89 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.549 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 52.1 mt -76.12 135.14 70.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.767 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 31.3 Cg_exo -60.4 147.45 94.01 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.72 2.28 . . . . 0.0 111.566 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.0 -33.14 33.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.485 2.79 . . . . 0.0 113.041 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.594 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 78.6 t80 -55.14 -53.19 59.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.767 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -67.78 -36.33 80.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.952 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.549 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 96.1 mttt -58.86 -51.64 69.14 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.948 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.35 -41.51 69.19 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 123.315 0.385 . . . . 0.0 111.934 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 7.0 mmm180 -58.03 -51.26 70.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 111.065 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' A' ' 43' ' ' ILE . 87.9 mt -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.836 -177.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.67 -22.5 65.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.072 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.02 14.06 31.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' HG ' ' H ' ' A' ' 61' ' ' ASP . 22.4 tp -86.92 144.71 26.84 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -91.78 15.22 13.34 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.622 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' ' 64' ' ' ILE . 10.8 t70 -70.17 132.16 45.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.414 -176.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 m -62.93 -19.21 64.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.424 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -83.07 -8.54 59.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.85 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' ' 61' ' ' ASP . 49.3 mm -93.54 120.67 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.929 177.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -94.08 160.5 14.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.637 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -70.03 -14.64 62.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.489 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.37 -14.05 59.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.054 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.85 28.49 15.63 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.07 136.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 tt -107.91 127.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.03 0.443 . . . . 0.0 109.809 174.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.81 133.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.489 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.8 mp -132.81 159.45 39.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 110.411 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -131.94 108.48 9.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.009 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.36 101.85 13.6 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.823 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -129.96 26.2 5.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.606 0.717 . . . . 0.0 109.428 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.36 -51.66 34.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.088 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -92.99 165.02 13.06 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.354 0.597 . . . . 0.0 112.578 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.467 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.3 p -105.34 163.27 12.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.565 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -75.57 -33.15 60.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.377 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.71 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.366 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.39 -39.5 85.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -36.42 83.16 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.713 0.292 . . . . 0.0 110.667 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -65.87 -52.53 49.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.026 0.441 . . . . 0.0 110.218 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.44 87.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.591 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.34 -51.49 51.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.91 87.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.701 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.32 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.684 0.278 . . . . 0.0 111.187 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.71 -46.62 52.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 90' ' ' ARG . 19.7 mtt180 -64.33 -35.03 79.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.392 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.15 -51.1 61.08 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.126 0.489 . . . . 0.0 110.922 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 p -62.62 -41.93 99.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.2 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.71 -40.93 97.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.195 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.03 -38.26 70.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 111.296 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.12 -44.05 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.745 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.96 -33.28 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.408 0.623 . . . . 0.0 110.113 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.69 -35.74 73.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.511 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.46 -23.73 67.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.07 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.49 -9.45 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -85.67 -20.41 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.339 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.396 -175.895 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.042 0.449 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.6 tp -96.95 99.81 11.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.296 0.57 . . . . 0.0 109.856 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -80.39 110.69 16.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.238 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.0 mt -88.1 -41.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.126 0.489 . . . . 0.0 110.043 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -154.82 175.5 13.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -61.33 -32.85 72.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -103.89 9.74 36.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.689 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -136.55 118.19 19.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.872 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -132.2 136.02 46.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.933 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 80.4 mt -108.45 105.51 56.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.305 175.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 25.6 Cg_exo -64.17 141.8 77.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.991 2.461 . . . . 0.0 112.331 177.735 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.85 -41.62 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.641 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.73 67.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.598 -176.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 96.5 mt-10 -89.45 3.72 51.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.242 0.544 . . . . 0.0 111.106 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.0 mt -119.47 121.8 67.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.573 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 14.8 tp10 -99.43 109.05 21.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.878 0.371 . . . . 0.0 110.404 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.41 123.87 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.637 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -126.26 157.78 37.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.384 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.97 135.1 54.29 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 34' ' ' SER . 60.6 mt -98.19 103.42 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.503 174.652 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 20' ' ' ILE . 6.7 m . . . . . 0 N--CA 1.447 -0.601 0 CA-C-O 120.744 0.307 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.521 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 17.9 p -103.83 12.3 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.709 -176.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 126.76 35.76 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.153 0.501 . . . . 0.0 110.421 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.7 mtp -106.99 152.8 23.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.756 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.637 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 46.7 t-80 -120.92 122.91 41.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.81 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . 8.9 mp -114.06 133.08 55.76 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.1 ttt180 -122.34 109.63 14.67 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.394 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.52 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 71.1 t80 -109.37 109.21 20.02 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.02 87.33 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.878 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 56.9 mt -56.37 -40.44 66.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.264 0.554 . . . . 0.0 110.197 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -56.49 -52.6 64.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.06 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.34 -22.2 35.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.409 -172.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -59.5 160.26 7.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.221 0.534 . . . . 0.0 112.001 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 t -81.29 14.3 2.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.597 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 60.9 mt -62.89 141.73 97.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.138 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.25 150.41 88.66 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.677 2.251 . . . . 0.0 111.88 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.8 -39.33 77.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.387 2.725 . . . . 0.0 113.006 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.18 -46.52 68.99 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.26 0.552 . . . . 0.0 111.119 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.08 -44.41 65.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 97.9 mttt -59.89 -53.33 59.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.631 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -55.5 -44.16 76.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -71.43 -31.65 67.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.465 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -73.31 -45.32 56.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.581 . . . . 0.0 110.667 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 89.8 mt -59.36 -40.11 85.41 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.19 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.22 31.16 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.092 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.9 tp -83.73 161.73 20.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -84.88 4.9 31.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.624 0.726 . . . . 0.0 110.242 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' HB2' ' A' ' 63' ' ' ARG . 7.3 t70 -84.92 117.97 24.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.229 -175.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m -76.31 0.29 19.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.173 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.437 ' HB2' ' OD1' ' A' ' 61' ' ' ASP . 17.0 mtm180 -92.57 -6.17 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.0 109.931 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.8 mt -98.8 115.11 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.184 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 p -76.9 154.43 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.267 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -74.19 0.26 14.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.426 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.26 -5.53 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.465 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' HA2' ' CD2' ' A' ' 57' ' ' LEU . . . 91.18 34.88 7.32 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.897 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.16 131.72 65.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.52 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 13.3 tt -104.24 129.19 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 110.052 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.6 t -118.94 132.12 69.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.562 ' HG ' ' HB2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -141.81 159.08 42.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.43 0.633 . . . . 0.0 111.383 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -127.48 105.57 8.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.54 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.67 102.67 15.42 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.009 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 25.52 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -72.69 -43.68 62.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.875 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -92.41 174.34 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 tpt85 -74.83 -32.55 61.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 p -124.78 164.0 20.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.521 ' HG3' ' HA ' ' A' ' 35' ' ' SER . 50.1 mt-30 -63.78 -56.4 15.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.452 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.48 -33.85 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.651 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -76.19 -40.06 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.719 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -62.54 -29.41 70.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.445 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 84' ' ' ARG . 29.3 ttt180 -57.68 -55.11 39.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.407 176.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.61 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.954 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.94 -53.33 52.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.69 85.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.468 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -36.71 82.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -70.69 -44.16 67.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.537 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.9 -51.63 38.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 p -60.18 -44.28 95.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.98 -39.83 87.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.103 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.31 -46.47 88.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.74 -46.31 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 111.043 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 92' ' ' SER . 23.3 t -73.05 -36.04 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -69.02 -33.52 73.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.167 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.48 -23.62 66.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.22 -24.43 64.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.89 -11.57 58.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.196 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 N--CA 1.447 -0.609 0 CA-C-O 121.151 0.501 . . . . 0.0 111.144 -175.726 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.481 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 50.9 ttm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 55.3 tp -84.54 99.5 10.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -85.34 109.77 18.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.061 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -90.96 -41.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.038 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -153.85 -175.48 5.39 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -66.87 -42.96 84.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.17 8.42 43.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.95 118.24 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 110.506 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.481 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 84.9 m-70 -135.59 139.72 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.621 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.8 mt -117.12 116.41 37.68 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.72 0.295 . . . . 0.0 110.964 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 22.3 Cg_exo -65.33 145.0 82.43 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 123.05 2.5 . . . . 0.0 112.206 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.32 -38.27 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.187 0.518 . . . . 0.0 110.931 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -27.78 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.779 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -83.45 -2.47 55.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.365 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -117.19 115.25 48.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.952 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.593 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 20.6 tt0 -83.34 115.73 22.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.83 0.348 . . . . 0.0 110.953 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.23 108.35 18.93 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.468 ' OG1' ' HB3' ' A' ' 38' ' ' HIS . 7.3 p -126.77 156.58 40.99 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.362 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.49 135.71 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.233 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 38' ' ' HIS . 63.2 mt -106.74 112.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.383 . . . . 0.0 110.733 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.248 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.444 -0.743 0 CA-C-O 120.655 0.264 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 13.3 p -81.2 20.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.946 0.403 . . . . 0.0 111.635 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.47 110.53 18.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.545 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 84.6 mmm -97.13 150.61 20.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.054 175.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.535 ' HB2' HD11 ' A' ' 20' ' ' ILE . 57.8 t-80 -122.31 135.78 54.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.2 mp -123.63 143.66 50.1 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.53 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.593 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 7.7 tpt180 -135.86 127.82 29.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.638 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -144.34 102.01 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.317 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.82 103.26 5.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 56' ' ' LEU . 64.4 mt -58.98 -45.19 92.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.153 0.501 . . . . 0.0 110.159 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -57.86 -45.12 86.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.31 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.59 11.43 39.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -170.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 p -91.41 175.98 6.73 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.022 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m -85.97 16.33 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.982 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.589 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 67.4 mt -68.62 143.55 95.24 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.715 0.293 . . . . 0.0 111.049 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 27.9 Cg_exo -63.87 147.94 91.99 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.794 2.329 . . . . 0.0 112.02 175.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 76.8 Cg_exo -52.19 -39.67 70.91 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 -176.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -58.6 -45.53 88.94 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.006 0.431 . . . . 0.0 110.883 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.44 -45.17 95.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.462 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.589 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 98.9 mttt -64.41 -36.89 85.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.166 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.69 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 111.278 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -58.35 -34.8 71.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD13 HD13 ' A' ' 43' ' ' ILE . 77.4 mt -73.07 -46.35 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.407 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.8 mt -63.94 -21.82 66.65 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.797 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.38 30.49 7.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.93 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 60' ' ' ASN . 0.4 OUTLIER -90.37 155.5 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.793 178.663 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' H ' HD23 ' A' ' 59' ' ' LEU . 65.2 t30 -84.93 13.47 5.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.946 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.99 140.76 30.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.487 -175.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.4 m -100.07 -0.98 38.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.41 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -79.77 -36.88 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.503 HG12 HD11 ' A' ' 70' ' ' ILE . 79.8 mt -64.03 112.99 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.279 172.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.3 p -76.41 163.34 27.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.055 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.0 m -62.39 -25.94 68.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.82 -15.54 59.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.399 0.619 . . . . 0.0 110.695 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.36 46.97 4.8 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -175.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG11 ' CZ ' ' A' ' 40' ' ' ARG . 48.7 t -128.74 139.52 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.686 0.279 . . . . 0.0 111.427 -176.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.503 HD11 HG12 ' A' ' 64' ' ' ILE . 35.2 mm -105.65 127.96 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.982 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.44 132.45 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.7 mp -130.74 161.26 32.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.202 0.525 . . . . 0.0 111.13 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 37' ' ' MET . 18.2 ptpt -153.29 115.1 4.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.428 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.38 121.35 44.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.178 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.04 19.71 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.956 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -68.8 -58.89 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.905 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.94 170.04 16.77 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -76.47 -15.27 59.95 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.212 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.7 p -118.1 149.35 41.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.936 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 91.9 mt-30 -70.63 -31.87 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.3 -52.03 65.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.58 -34.94 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.03 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.98 -37.85 87.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.15 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.446 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 40.2 ttt180 -65.31 -52.14 56.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.383 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.41 90.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.485 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.12 -48.19 79.58 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.68 80.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.865 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.9 mt -63.67 -44.79 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.777 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 2.2 tm? -67.64 -43.98 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.418 0.627 . . . . 0.0 109.312 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -59.91 -40.73 89.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.049 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 95' ' ' ILE . 37.0 tp -66.97 -51.55 53.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.482 ' HB3' HD21 ' A' ' 2' ' ' LEU . 10.8 p -61.79 -40.79 96.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.906 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -58.43 -45.8 87.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.878 175.018 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.51 -40.09 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.864 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 91' ' ' LEU . 85.1 mt -58.78 -45.3 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.724 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.74 -44.67 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.18 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HB1' HD21 ' A' ' 56' ' ' LEU . . . -62.26 -33.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.791 -177.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.43 60.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -95.58 -25.73 16.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.975 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.91 -173.598 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 48.2 ttm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.735 0.303 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp -118.45 116.17 26.14 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.656 0.741 . . . . 0.0 109.457 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.93 111.15 18.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.1 mt -85.95 -45.24 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.376 0.607 . . . . 0.0 109.542 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -146.44 -178.46 6.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.801 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -69.93 -33.13 71.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.125 0.488 . . . . 0.0 110.867 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -99.9 0.34 41.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.163 0.506 . . . . 0.0 110.802 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -129.06 117.84 45.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.289 0.566 . . . . 0.0 110.971 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.438 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 25.7 m-70 -134.21 123.45 24.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.506 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.4 mt -102.77 134.31 19.94 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.65 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 5.3 Cg_exo -80.46 139.22 12.75 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.388 2.726 . . . . 0.0 111.866 174.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.64 -39.79 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.657 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -28.35 62.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -86.24 0.77 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.275 0.56 . . . . 0.0 111.024 -174.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -118.94 108.66 24.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.777 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.4 tp10 -82.02 105.32 13.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.18 0.514 . . . . 0.0 110.787 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -96.66 109.1 21.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.529 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.616 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m -116.63 153.84 31.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.23 125.89 51.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.21 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -90.2 113.14 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.367 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.729 178.861 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.444 -0.757 0 CA-C-O 121.172 0.511 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.6 p -83.98 5.56 25.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 106.31 1.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.484 0.659 . . . . 0.0 111.619 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.763 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 86.0 mmm -97.19 143.5 27.93 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.24 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.616 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 29.3 t-80 -108.35 119.32 39.16 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.903 175.119 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 2.7 mm? -107.77 121.83 45.52 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 -176.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 16.5 ttt180 -121.19 103.52 9.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.644 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 83.6 t80 -97.07 117.6 31.61 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.91 127.24 33.33 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.8 mt -103.87 -13.6 8.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-O 121.284 0.564 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.458 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.1 t-20 -88.28 -55.04 3.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.58 20.62 11.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.973 -173.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -91.4 160.39 15.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.933 0.397 . . . . 0.0 111.41 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -80.06 5.99 12.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.669 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 91.5 mt -58.66 131.33 85.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.999 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 52' ' ' TYR . 10.2 Cg_endo -54.4 150.98 31.67 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.064 2.51 . . . . 0.0 112.312 176.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 73.7 Cg_exo -50.25 -36.69 47.55 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.434 2.756 . . . . 0.0 112.973 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.487 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.2 t80 -57.31 -48.88 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.514 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 25.8 m-85 -70.74 -37.48 73.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.011 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 13.2 mmtm -50.91 -56.3 13.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 110.771 174.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.3 -47.39 86.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.739 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 27.7 mmm180 -61.51 -40.88 96.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.793 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.96 -44.71 79.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.594 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -65.13 -27.85 69.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.47 19.56 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 60' ' ' ASN . 14.2 tp -78.42 169.74 17.76 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 120.962 0.411 . . . . 0.0 110.206 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 4.7 t30 -93.13 10.46 31.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.373 0.606 . . . . 0.0 110.71 -177.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -93.33 118.78 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.8 m -76.22 -7.53 55.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.197 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -79.79 -15.93 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.255 0.55 . . . . 0.0 109.518 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.65 116.72 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.095 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 153.11 17.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.2 m -68.2 -11.19 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.02 -14.4 61.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.611 0.72 . . . . 0.0 109.917 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 44' ' ' ASN . . . 92.76 32.32 8.11 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.309 178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.411 HG13 ' HG3' ' A' ' 40' ' ' ARG . 47.7 t -134.57 134.11 54.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.674 0.273 . . . . 0.0 110.542 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.504 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 10.5 tt -115.22 124.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.8 t -108.61 132.65 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 4.2 mp -133.76 161.78 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.97 0.414 . . . . 0.0 110.404 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -127.6 114.18 17.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.366 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -96.9 101.44 13.02 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.497 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -138.82 13.28 2.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.548 0.689 . . . . 0.0 109.599 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -80.89 -41.7 22.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.377 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.39 171.58 9.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.924 0.392 . . . . 0.0 111.645 -177.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.74 -34.64 21.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.15 -173.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.7 p -106.44 152.38 23.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.943 0.401 . . . . 0.0 110.966 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.564 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 89.3 mt-30 -66.07 -34.58 78.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.291 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 37.8 tt0 -59.7 -47.05 87.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.54 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -65.52 -38.27 89.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.044 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 63.8 m-20 -65.61 -32.44 74.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.75 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 99.8 mtt180 -62.4 -52.91 61.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.986 0.422 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.39 98.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.241 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.81 -43.16 94.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.76 92.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.887 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.4 mt -65.16 -38.0 89.17 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.137 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.6 -53.15 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 95' ' ' ILE . 8.7 tp -60.94 -47.59 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.266 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -66.13 -38.29 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.468 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -59.22 -48.31 82.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.182 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.88 -44.39 86.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.639 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 91' ' ' LEU . 81.6 mt -63.79 -42.83 97.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.8 t -72.9 -41.16 60.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.138 0.494 . . . . 0.0 110.61 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 63.1 m-20 -65.25 -28.16 69.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.84 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -24.09 50.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.622 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.29 -20.75 25.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.877 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 97' ' ' ASN . 44.0 mtpt -95.36 -26.04 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.417 0.627 . . . . 0.0 111.113 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.9 mt . . . . . 0 N--CA 1.444 -0.759 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.953 175.022 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.846 HD23 HD12 ' A' ' 10' ' ' LEU . 42.2 tp -86.32 94.46 9.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 109.754 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.54 113.21 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.404 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.54 -39.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 110.324 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 m -156.99 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.581 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.41 -52.5 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.735 0.302 . . . . 0.0 110.812 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -88.07 -0.04 56.57 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.318 0.58 . . . . 0.0 111.038 -174.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.39 116.46 47.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.335 0.588 . . . . 0.0 110.783 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -139.55 142.15 37.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.846 HD12 HD23 ' A' ' 2' ' ' LEU . 78.2 mt -117.31 104.0 50.7 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.771 0.32 . . . . 0.0 110.183 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.78 141.94 97.75 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.266 2.644 . . . . 0.0 112.592 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -52.34 -40.24 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.041 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.03 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.615 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -84.86 1.95 44.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.006 0.431 . . . . 0.0 111.069 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -120.11 135.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.797 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 9.9 tp10 -100.96 108.97 20.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.773 0.321 . . . . 0.0 110.19 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 39' ' ' LEU . 6.3 mp -103.57 108.75 20.16 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.049 0.452 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.69 161.0 22.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.919 -176.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.72 145.57 28.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.51 106.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.411 . . . . 0.0 110.176 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 179.826 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 120.964 0.412 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 t -103.24 7.06 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.718 0.771 . . . . 0.0 109.701 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -75.35 119.06 18.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.215 -175.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.512 ' HE3' ' HB3' ' A' ' 80' ' ' GLN . 13.0 mmt -97.98 154.6 17.57 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.615 174.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -122.95 126.1 46.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.628 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 17' ' ' LEU . 7.2 mp -127.49 129.93 48.3 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 62.8 ttt180 -115.17 125.9 53.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 174.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.58 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 74.0 t80 -119.93 105.93 11.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.512 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.94 113.52 19.2 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.782 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 70.2 mt -74.96 -27.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.298 0.57 . . . . 0.0 110.497 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -73.04 -53.48 11.02 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.393 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.45 -1.46 58.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -81.04 170.0 16.77 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.722 -177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 m -82.1 17.78 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.05 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.89 129.11 81.7 Favored Pre-proline 0 C--O 1.233 0.217 0 CA-C-N 116.686 -0.233 . . . . 0.0 110.83 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 43.0 Cg_exo -57.12 142.37 94.32 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.497 2.132 . . . . 0.0 111.16 176.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.498 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 96.6 Cg_exo -44.37 -50.2 8.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.693 2.928 . . . . 0.0 113.252 -174.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.16 -48.51 67.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.01 0.433 . . . . 0.0 111.44 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HD2' ' HB2' ' A' ' 49' ' ' PRO . 98.1 m-85 -74.73 -36.16 62.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.368 -176.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 40.2 ttmt -64.05 -43.7 94.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.655 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 10.5 mm-40 -62.03 -46.68 88.13 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.272 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -54.53 -44.05 72.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.633 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.43 -44.61 62.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.63 -38.28 90.53 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.245 0.545 . . . . 0.0 111.151 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.68 32.85 3.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.417 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 98' ' ' ALA . 13.2 tp -92.03 173.87 7.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.736 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -103.46 12.12 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.06 125.75 34.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.565 -174.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.7 m -81.7 -2.53 50.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.318 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -82.55 -17.89 43.35 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.489 0.661 . . . . 0.0 109.266 173.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 70' ' ' ILE . 60.8 mt -96.95 118.25 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.438 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -70.1 153.74 42.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.49 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m -66.36 -5.68 11.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.103 -174.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -101.94 -12.93 17.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.951 0.405 . . . . 0.0 110.816 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 36.72 5.42 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.115 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.5 130.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 50.1 mm -103.16 121.66 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.174 177.309 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -122.84 121.87 64.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.76 165.0 12.03 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.583 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -134.97 104.56 6.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.128 -1.396 . . . . 0.0 108.089 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -101.36 102.1 12.86 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -140.88 29.12 1.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 109.84 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.92 -26.03 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.641 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -111.06 165.63 11.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.628 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -64.16 -50.32 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.708 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -99.52 139.99 34.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.125 0.488 . . . . 0.0 112.279 -173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.512 ' HB3' ' HE3' ' A' ' 37' ' ' MET . 78.1 mt-30 -54.21 -40.91 68.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.847 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.37 -40.29 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.776 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -75.24 -32.49 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.335 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -61.64 -37.23 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.663 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HG3' ' HG3' ' A' ' 37' ' ' MET . 62.1 mtt180 -61.94 -39.57 92.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 110.899 175.26 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.12 72.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.987 0.422 . . . . 0.0 110.757 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.78 -48.25 78.31 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.398 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.563 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . . . -59.08 -38.04 78.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.625 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -40.32 83.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.894 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.47 -52.57 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.113 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.563 ' HD3' ' HA ' ' A' ' 87' ' ' ALA . 9.1 ptm180 -67.2 -27.71 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.944 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 6.0 tt -65.8 -50.41 64.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -65.71 -34.52 78.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.22 -50.67 73.12 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.59 -48.87 65.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.59 -51.05 70.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.914 -175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.8 t -76.94 -38.84 29.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.015 0.436 . . . . 0.0 111.304 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.44 -46.75 53.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.897 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.619 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -75.6 -21.69 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.09 -3.52 30.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -91.73 -12.75 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.948 -176.065 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.96 0.41 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 10' ' ' LEU . 47.9 tp -89.79 96.78 10.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.0 109.656 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -81.63 110.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.881 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.29 -45.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 109.565 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.527 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 32.8 t -136.0 177.45 7.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.98 -50.56 73.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.738 0.304 . . . . 0.0 110.951 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -103.05 10.09 38.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.441 0.639 . . . . 0.0 110.895 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 5' ' ' SER . 58.9 t -123.12 116.7 49.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.182 0.515 . . . . 0.0 109.821 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -134.19 144.2 48.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.741 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 2' ' ' LEU . 65.4 mt -109.66 117.63 52.1 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PRO . . . . . 0.78 ' HG2' ' HB2' ' A' ' 14' ' ' GLU . 10.3 Cg_endo -57.52 145.76 87.21 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.78 2.32 . . . . 0.0 112.004 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.05 -38.06 75.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.019 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.25 -6.11 49.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.122 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.78 ' HB2' ' HG2' ' A' ' 11' ' ' PRO . 20.3 tt0 -94.93 -0.86 53.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.851 0.834 . . . . 0.0 110.125 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.45 100.82 11.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.685 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.958 ' HG2' ' HE ' ' A' ' 40' ' ' ARG . 8.2 tp10 -87.5 101.8 13.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.501 -175.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.484 HD23 ' HG ' ' A' ' 39' ' ' LEU . 87.5 mt -108.6 110.36 21.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.703 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.618 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -111.31 157.26 20.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.956 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HA ' ' HE2' ' A' ' 37' ' ' MET . . . -107.73 122.45 46.77 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.2 mt -81.39 101.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 109.699 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -178.465 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.441 -0.882 0 CA-C-O 121.397 0.618 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 8.7 p -83.16 11.05 6.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.217 177.393 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -76.64 120.04 21.27 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.016 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.528 ' HE2' ' HA ' ' A' ' 19' ' ' ALA . 4.0 mmt -95.43 140.97 29.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.465 175.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 16.4 t-80 -105.7 121.62 44.39 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.743 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.484 ' HG ' HD23 ' A' ' 17' ' ' LEU . 6.7 mp -120.57 140.77 51.02 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.994 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.958 ' HE ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 ptt180 -134.64 98.89 4.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.37 0.605 . . . . 0.0 110.16 173.021 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.2 t80 -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.49 111.73 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.078 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 56' ' ' LEU . 70.5 mt -69.29 -26.74 32.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.796 -176.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.91 -46.27 37.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 -175.484 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.89 -10.13 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 p -63.95 150.4 45.18 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -75.89 26.96 0.11 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.7 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.7 mt -88.73 142.17 30.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -63.89 155.17 65.61 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.449 2.099 . . . . 0.0 112.301 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.521 ' HA ' ' HB2' ' A' ' 53' ' ' LYS . 54.0 Cg_exo -53.14 -30.82 51.98 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.115 2.543 . . . . 0.0 112.098 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -49.76 -50.19 45.45 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.848 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -76.04 -39.18 56.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.787 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.7 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 94.2 mttt -60.24 -37.83 81.57 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 46.1 mt-10 -57.87 -49.42 76.77 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.287 0.565 . . . . 0.0 111.209 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 78.5 mtt85 -75.4 -23.94 57.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.335 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 43' ' ' ILE . 88.5 mt -71.04 -44.11 66.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 110.301 172.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.49 -47.06 83.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.397 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.91 33.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.465 -177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.2 mt -76.98 160.91 28.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.605 0.717 . . . . 0.0 110.648 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -93.66 15.35 16.5 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HB3' HG12 ' A' ' 64' ' ' ILE . 11.2 t70 -97.73 153.6 18.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.849 -171.194 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.5 m -85.82 -13.4 48.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.598 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.982 0.42 . . . . 0.0 110.646 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.425 HD13 HD11 ' A' ' 70' ' ' ILE . 40.6 mm -71.11 106.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.985 177.152 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -96.23 165.11 12.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 m -72.15 -21.48 61.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.161 0.505 . . . . 0.0 109.957 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.559 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.93 42.62 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.562 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.46 131.04 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.978 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.596 HG22 HD11 ' A' ' 72' ' ' LEU . 30.7 mm -97.99 108.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.776 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.0 t -103.7 127.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.596 HD11 HG22 ' A' ' 70' ' ' ILE . 2.7 mp -125.16 156.4 38.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.51 0.672 . . . . 0.0 111.231 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.52 104.35 6.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.645 172.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.65 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -86.76 102.21 14.04 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.99 -175.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -122.84 20.03 10.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.544 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -68.63 -56.34 8.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.037 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -87.51 164.68 16.0 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' A' ' 78' ' ' ARG . 17.1 tpt180 -90.07 -10.9 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.221 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.77 134.65 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.505 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 90.8 mt-30 -66.21 -44.35 84.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.19 -175.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 5.8 tp10 -64.35 -32.53 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.83 -36.5 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.642 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -60.36 -36.38 77.9 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.155 0.503 . . . . 0.0 110.07 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 14.8 ttt180 -52.81 -52.24 57.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.36 175.438 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.15 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.001 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.1 -47.94 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.188 0.518 . . . . 0.0 110.255 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.77 89.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.226 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 82.5 mt -62.0 -40.66 96.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.696 0.284 . . . . 0.0 110.866 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.84 -51.88 65.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 0.0 110.09 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -65.14 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.373 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.75 -51.49 62.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 110.112 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 p -62.44 -36.69 83.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.107 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 2.9 mm-40 -59.6 -47.79 84.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.411 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.58 -43.36 93.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.13 -49.42 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.919 0.39 . . . . 0.0 111.066 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.38 -41.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 8.9 t-20 -61.19 -37.87 84.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.933 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.3 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -88.23 -11.87 45.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.248 0.547 . . . . 0.0 111.115 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -96.39 -22.66 17.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.996 -173.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 101' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 122.109 0.957 . . . . 0.0 112.324 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.571 0.224 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.823 HD23 HD12 ' A' ' 10' ' ' LEU . 48.8 tp -88.04 96.74 10.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.363 0.601 . . . . 0.0 109.773 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.7 t -79.04 110.41 14.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.159 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -93.92 -35.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.401 0.62 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -153.37 -177.53 6.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.745 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -61.11 -40.29 93.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -116.09 16.42 16.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.243 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.27 118.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 109.871 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -137.22 143.19 42.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.587 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.823 HD12 HD23 ' A' ' 2' ' ' LEU . 40.6 mt -110.88 111.02 56.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.045 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.56 139.63 59.38 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 123.184 2.589 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -37.32 71.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.456 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.29 -24.45 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.477 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -83.3 0.62 44.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.126 0.489 . . . . 0.0 111.195 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.492 HG22 ' HG ' ' A' ' 17' ' ' LEU . 62.8 mt -106.75 116.41 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.894 -178.495 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 6.4 tp10 -93.86 101.38 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.858 176.231 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' HG ' HG22 ' A' ' 15' ' ' ILE . 84.6 mt -103.39 110.11 22.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.294 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.573 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.25 152.72 37.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.215 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 132.94 52.79 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -96.5 119.76 44.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 110.139 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.5 p -83.9 -3.17 57.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.725 0.298 . . . . 0.0 111.037 -178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . . . -61.67 107.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.612 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.0 mmm -97.71 148.3 23.48 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.367 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.573 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 23.9 t-80 -110.38 128.49 55.6 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.184 176.247 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.528 HD22 ' HB1' ' A' ' 87' ' ' ALA . 60.8 tp -121.71 125.45 46.64 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 20.5 ttt180 -124.01 118.34 26.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.055 170.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 58.4 t80 -110.87 113.45 26.03 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.38 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.096 0.474 . . . . 0.0 109.865 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.622 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 52.3 mt -66.74 -31.89 55.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.651 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.56 -53.4 58.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.773 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.3 5.43 47.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.44 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 157.39 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.963 0.411 . . . . 0.0 111.242 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -84.05 6.23 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.916 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD12 HG23 ' A' ' 43' ' ' ILE . 50.2 mt -54.71 138.07 62.65 Favored Pre-proline 0 C--O 1.235 0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.603 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.48 147.84 92.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.986 2.457 . . . . 0.0 112.024 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.4 -42.63 40.72 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.377 2.718 . . . . 0.0 113.165 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.39 -52.81 60.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.142 0.496 . . . . 0.0 111.509 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.415 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 87.9 m-85 -64.0 -40.76 97.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.152 -177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.622 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.3 mttt -59.48 -47.13 86.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.885 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.08 -43.05 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.661 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.4 mmt180 -63.61 -42.88 98.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.737 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' HG21 ' A' ' 64' ' ' ILE . 92.9 mt -60.89 -46.91 88.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.44 -24.12 67.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.176 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.62 5.64 47.63 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 22.5 mt -72.65 156.93 38.46 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.098 0.475 . . . . 0.0 111.91 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -92.63 15.29 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.338 1.066 . . . . 0.0 108.917 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HB3' HG12 ' A' ' 64' ' ' ILE . 18.9 t70 -79.92 122.62 26.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.956 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 m -74.83 -10.95 59.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.117 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -85.14 -20.08 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.241 0.543 . . . . 0.0 109.809 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.509 HG21 ' O ' ' A' ' 56' ' ' LEU . 43.7 mm -80.26 127.57 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.013 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.7 p -100.53 154.54 18.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.263 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.7 m -69.44 -20.86 63.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.962 0.41 . . . . 0.0 110.685 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.57 -14.77 60.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.691 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.51 8.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.827 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.18 128.57 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.83 0.348 . . . . 0.0 110.822 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.652 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 49.9 mm -98.27 112.68 30.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.443 ' C ' HD12 ' A' ' 72' ' ' LEU . 25.3 t -123.47 117.89 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.04 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 71' ' ' VAL . 9.6 mp -128.59 174.55 9.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.15 0.5 . . . . 0.0 111.205 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -136.6 109.32 7.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.52 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.18 104.72 13.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.493 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -131.96 26.68 4.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.186 0.517 . . . . 0.0 110.25 176.327 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -62.06 -47.75 83.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.601 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.73 163.14 13.31 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -177.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -71.65 -38.26 70.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.284 176.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.8 p -92.56 133.6 35.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 97.6 mt-30 -65.79 -31.29 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.333 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.64 -43.05 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.31 -36.32 79.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.39 -32.78 74.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.63 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 86.7 mtt180 -63.39 -49.64 73.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.922 0.392 . . . . 0.0 109.971 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.14 95.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.223 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.16 0.505 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.528 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -60.22 -48.28 82.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 92.3 mt -63.85 -39.0 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.21 -50.7 72.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm105 -60.29 -34.94 74.46 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.334 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 95' ' ' ILE . 44.3 tp -62.36 -52.13 64.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.139 0.495 . . . . 0.0 110.554 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -63.96 -40.81 97.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.539 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -59.04 -47.88 83.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.464 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.7 -44.69 86.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.865 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.9 mt -57.7 -48.29 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.38 -38.16 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.425 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 21.7 m-80 -74.61 -43.79 53.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.969 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' A' ' 59' ' ' LEU . . . -63.29 -28.08 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.62 68.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.762 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.04 -19.73 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.264 0.554 . . . . 0.0 111.302 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 84.9 mt . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.913 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.051 0.453 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 88' ' ' LEU . 3.2 mm? -92.51 105.31 17.51 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 -177.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -75.55 109.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.689 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.5 mm -94.57 -44.96 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -145.32 175.89 9.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.223 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.6 -28.29 66.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.51 . . . . 0.0 110.397 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -104.55 -1.51 26.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.321 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.97 119.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.096 0.474 . . . . 0.0 110.85 -176.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -132.64 145.13 50.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.202 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 2' ' ' LEU . 1.1 tt -108.27 105.46 56.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.6 146.2 72.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.875 2.383 . . . . 0.0 112.738 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.14 -38.81 74.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.83 -0.59 16.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.891 -1.049 . . . . 0.0 113.05 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -109.97 10.06 24.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.458 0.647 . . . . 0.0 110.855 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.76 122.76 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 171.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 35.4 tt0 -78.04 97.86 5.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.035 0.445 . . . . 0.0 111.11 -175.372 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -94.57 110.65 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.86 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.0 130.21 56.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.966 177.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.16 116.36 27.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.726 0.298 . . . . 0.0 111.292 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 38' ' ' HIS . 60.7 mt -94.39 115.22 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.047 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.246 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.443 -0.817 0 CA-C-O 121.228 0.537 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -94.22 12.99 24.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.03 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -71.05 108.93 4.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.233 -175.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.535 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 53.5 mtp -100.03 130.03 46.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.142 0.496 . . . . 0.0 110.199 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.516 ' HB2' HD11 ' A' ' 20' ' ' ILE . 32.8 t-80 -95.78 122.04 38.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.013 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 8.3 mp -115.52 118.68 33.83 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.711 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.3 ttt180 -110.78 113.3 25.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.285 172.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -110.2 105.84 15.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.181 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.08 93.12 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.539 HD13 HD13 ' A' ' 56' ' ' LEU . 59.8 mt -58.9 -37.81 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.884 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.99 -48.78 80.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.927 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.85 18.71 13.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.086 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -87.35 158.17 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.82 0.343 . . . . 0.0 110.645 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 13.96 8.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.244 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.09 137.03 96.9 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.356 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.73 149.33 14.25 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 123.564 2.843 . . . . 0.0 113.437 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.03 -36.79 45.74 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.737 2.958 . . . . 0.0 113.385 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -53.29 -47.29 69.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.201 0.524 . . . . 0.0 110.642 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.95 -37.75 69.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 20.6 mmtm -53.62 -55.4 26.17 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.56 -49.24 76.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.542 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -44.31 80.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.796 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 64' ' ' ILE . 86.5 mt -73.34 -47.63 40.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.377 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 3.0 tt -53.3 -39.83 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.329 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.89 35.58 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 64' ' ' ILE . 19.1 tp -81.27 163.81 22.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.098 0.475 . . . . 0.0 110.796 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -90.92 9.95 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.652 0.739 . . . . 0.0 109.683 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -74.56 151.5 39.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.06 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -106.21 1.02 25.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.829 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 63' ' ' ARG . 1.9 mmp_? -107.12 -44.04 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 94' ' ' LEU . 68.0 mt -71.35 117.68 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.303 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p -89.78 157.63 17.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.001 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 p -65.98 -8.26 21.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.116 0.484 . . . . 0.0 111.522 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.9 -24.5 48.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 0.0 110.087 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.5 9.09 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.57 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.51 128.04 72.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 64' ' ' ILE . 38.2 mm -125.26 128.72 72.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.329 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.07 130.65 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.448 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.83 166.99 22.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -143.99 110.02 5.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.798 0.808 . . . . 0.0 109.667 169.46 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -88.43 108.98 19.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.867 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 20.97 2.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.083 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -77.91 -33.28 51.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.701 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -102.07 162.46 12.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -74.63 -42.97 57.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 p -84.35 127.86 34.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.236 0.541 . . . . 0.0 111.373 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -65.55 -30.97 71.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.405 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.57 -47.74 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.16 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.01 -30.49 62.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.33 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -57.49 -40.61 79.0 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.185 171.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.409 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 75.6 ttt180 -59.3 -55.44 34.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.354 0.597 . . . . 0.0 110.145 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.092 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.04 -50.93 70.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.204 0.526 . . . . 0.0 110.771 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.41 96.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.197 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.764 ' HB3' HD11 ' A' ' 2' ' ' LEU . 88.5 mt -64.92 -37.9 89.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -48.4 76.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.869 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 1.5 mpt_? -61.97 -38.24 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.115 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.54 -47.34 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -62.42 -41.82 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.94 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.13 -43.13 99.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.776 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 64' ' ' ILE . 3.3 tm? -59.73 -40.26 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.758 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.84 -45.14 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.84 -34.52 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.133 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.466 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 4.0 t-20 -55.65 -53.2 59.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.742 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.09 -25.42 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.642 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.21 -24.33 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -87.24 -25.83 23.8 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 97.2 mt . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.979 -173.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 43.6 ttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.748 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 43.9 tp -99.81 101.3 12.4 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.309 0.576 . . . . 0.0 109.548 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.61 117.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.59 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.35 -53.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.386 0.613 . . . . 0.0 109.621 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.557 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 37.0 m -124.35 179.94 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.611 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.88 -36.74 64.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.293 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -102.69 4.51 38.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.447 0.642 . . . . 0.0 110.427 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 83.8 t -124.37 118.02 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.23 0.538 . . . . 0.0 109.717 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 36.6 m80 -130.0 141.11 50.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.755 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.748 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 93.6 mt -103.64 108.19 58.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.866 0.365 . . . . 0.0 110.383 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.16 141.51 98.13 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.902 2.401 . . . . 0.0 111.755 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.65 -35.06 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.528 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.38 -26.37 66.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.574 ' OE2' ' HA ' ' A' ' 46' ' ' SER . 24.5 mt-10 -90.13 3.98 51.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.182 0.515 . . . . 0.0 110.724 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.1 mt -117.88 114.84 46.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.91 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 83.0 tt0 -93.02 98.57 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.046 0.451 . . . . 0.0 110.766 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -95.87 118.53 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.966 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.22 162.36 18.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.82 129.94 46.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 59.5 mt -92.21 118.32 37.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.269 0.557 . . . . 0.0 110.653 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -94.63 163.16 13.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.27 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.43 96.85 3.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -58.47 135.56 57.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 110.909 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.03 -2.9 60.04 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.594 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB1' ' HB ' ' A' ' 30' ' ' VAL . . . -143.48 170.22 16.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.675 -0.263 . . . . 0.0 110.57 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.48 -16.59 19.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.386 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.98 73.61 0.4 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 36.6 tt0 69.63 132.89 0.03 OUTLIER 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.622 0.769 . . . . 0.0 110.213 -171.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 87.3 m-20 74.46 129.47 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.452 -175.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HB ' ' HB1' ' A' ' 25' ' ' ALA . 6.1 t 52.71 86.47 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.928 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 6.1 m-20 -114.14 80.11 1.35 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.477 0.656 . . . . 0.0 111.157 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 31' ' ' ASN . 47.5 mttp -156.55 121.81 4.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.849 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.65 143.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.749 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 m -76.43 148.84 37.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -84.24 12.01 7.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.314 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -79.62 113.08 17.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.312 0.577 . . . . 0.0 111.06 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.6 tpt -98.02 163.49 12.74 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -138.02 134.63 35.04 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.336 0.589 . . . . 0.0 110.572 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.493 HD22 ' HB1' ' A' ' 87' ' ' ALA . 57.2 tp -120.5 129.86 54.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.824 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 71.2 ttt-85 -139.58 109.59 6.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.252 0.549 . . . . 0.0 110.141 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 88.1 t80 -116.15 113.66 23.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.843 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.54 93.73 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.617 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 39.1 mt -62.42 -32.72 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.522 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.51 -24.73 22.86 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -172.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.574 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 12.7 p -64.93 164.99 11.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.326 0.584 . . . . 0.0 112.197 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 p -83.81 15.12 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.19 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 32.7 mt -58.91 133.52 87.0 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.295 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 150.22 75.5 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.775 2.316 . . . . 0.0 111.654 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -48.63 -37.0 33.67 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.256 2.637 . . . . 0.0 112.708 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.556 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 92.3 t80 -56.26 -55.05 38.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.12 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -64.31 -38.73 92.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 95.4 mttt -60.02 -45.85 91.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.008 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.16 -39.68 86.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.583 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 12.3 mmm180 -60.54 -42.37 96.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.734 0.302 . . . . 0.0 110.975 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 94.5 mt -73.34 -47.46 42.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.431 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.3 -40.91 92.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.29 27.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.583 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -82.86 163.52 21.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 110.622 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 16.0 20.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.709 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.86 144.47 27.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.303 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -89.33 1.11 56.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.116 -176.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -93.69 6.77 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.519 0.676 . . . . 0.0 109.69 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mm -97.83 130.96 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.206 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.6 p -102.56 156.63 17.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -65.15 -25.63 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.678 0.275 . . . . 0.0 111.349 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -84.12 -9.0 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.971 0.415 . . . . 0.0 111.059 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.98 3.09 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.286 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.0 t -132.84 128.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 47.0 mm -86.33 112.93 23.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 40' ' ' ARG . 23.6 t -124.63 118.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.633 0.254 . . . . 0.0 110.505 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -140.03 169.52 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 0.0 110.047 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -141.24 110.31 6.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.835 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . . . -92.27 102.48 14.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.013 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.13 23.44 11.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.007 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -85.51 -57.52 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.002 -172.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.11 164.1 25.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.811 -172.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 3.4 tmt_? -68.01 -32.62 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.327 -175.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' A' ' 82' ' ' GLN . 16.2 p -117.1 143.44 45.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -62.19 -25.14 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.77 -49.67 76.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.408 . . . . 0.0 110.85 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' HG2' ' OG1' ' A' ' 79' ' ' THR . 84.6 mm-40 -68.12 -36.71 80.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.325 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 62.7 m-80 -68.81 -30.34 68.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.26 177.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 57.9 ttt180 -62.99 -49.98 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.403 175.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.17 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.914 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 28.7 t70 -57.34 -53.27 60.04 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.206 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.493 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -55.57 -41.77 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.976 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 88.2 mt -66.49 -43.2 86.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.69 0.281 . . . . 0.0 111.187 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 89' ' ' LEU . 1.9 tm? -69.13 -38.39 78.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.459 0.647 . . . . 0.0 109.421 177.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 11.7 ttt180 -60.97 -45.11 96.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.375 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 95' ' ' ILE . 55.9 tp -62.68 -52.08 64.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.973 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 p -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.49 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 1.8 tm-20 -59.5 -47.45 85.47 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.2 -43.1 96.21 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.544 ' HA ' HD21 ' A' ' 56' ' ' LEU . 75.5 mt -63.12 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.6 -34.98 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.982 0.42 . . . . 0.0 110.376 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.884 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 9.9 t-20 -56.31 -49.31 74.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.431 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 59' ' ' LEU . . . -64.68 -23.35 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.652 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.54 -38.25 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.884 ' HE2' ' HA ' ' A' ' 97' ' ' ASN . 56.9 pttt -81.33 -21.68 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 112.014 -174.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.3 mt -81.83 170.37 15.77 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.305 175.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.61 -41.81 6.45 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.034 0.445 . . . . 0.0 110.291 177.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -168.52 -176.23 2.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.891 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 37.7 m80 63.97 -157.2 0.31 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.386 0.613 . . . . 0.0 110.262 -173.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -161.27 -34.62 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -79.42 67.08 5.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.916 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -174.11 128.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.473 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.733 0 CA-C-O 118.394 -0.812 . . . . 0.0 110.074 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 ttm . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.08 0.467 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.666 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 51.1 tp -89.54 102.95 15.63 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.277 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.46 110.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.31 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 69.6 mt -95.75 -65.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 171.74 7.22 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -65.12 -38.98 92.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.223 0.535 . . . . 0.0 110.415 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -97.14 3.4 51.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.751 -175.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.08 118.95 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 0.0 110.56 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -127.46 144.12 51.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.674 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.666 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 63.3 mt -108.81 105.05 56.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.751 0.31 . . . . 0.0 110.775 176.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.4 146.27 97.03 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 111.592 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.28 -32.44 64.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.75 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.86 70.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.211 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.14 7.26 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 110.896 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.22 114.82 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.749 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 12.4 tp10 -90.46 102.34 15.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.327 0.584 . . . . 0.0 110.655 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.764 HD21 HD21 ' A' ' 88' ' ' LEU . 83.9 mt -102.05 110.18 22.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.949 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.59 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.76 149.16 42.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.304 178.365 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.43 147.75 30.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.792 0.329 . . . . 0.0 110.379 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 38' ' ' HIS . 13.6 mt -126.92 164.99 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -110.1 155.6 21.69 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.57 169.54 11.33 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -82.22 140.76 33.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.538 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.13 -156.1 7.68 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.544 ' H ' ' HA ' ' A' ' 31' ' ' ASN . . . 59.64 29.48 19.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.147 0.499 . . . . 0.0 111.43 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.43 151.67 6.28 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.95 18.6 8.2 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.989 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 70.53 112.4 0.05 Allowed 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.466 0.706 . . . . 0.0 112.232 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.7 -16.44 0.55 Allowed 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.228 172.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.96 95.63 4.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.613 0.72 . . . . 0.0 111.747 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.544 ' HA ' ' H ' ' A' ' 25' ' ' ALA . 44.0 m-80 -124.58 16.65 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.222 176.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -125.85 150.24 48.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.491 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -74.4 128.74 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.038 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 m -73.24 176.01 6.31 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.865 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.511 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 11.7 p -67.17 -72.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.278 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.34 82.47 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.237 0 O-C-N 124.033 0.833 . . . . 0.0 111.96 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 79.7 mtp -110.9 149.24 30.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.262 0.553 . . . . 0.0 111.109 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 17.7 t-80 -96.57 117.37 30.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.368 174.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.71 118.68 37.31 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.328 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 44.9 ttt180 -126.19 123.75 38.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.202 0.525 . . . . 0.0 110.842 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.7 t80 -132.84 104.49 6.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.295 175.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.39 89.8 4.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.567 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 54.5 mt -56.45 -41.36 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.29 0.567 . . . . 0.0 110.056 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -54.54 -48.34 72.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.062 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.52 -23.79 27.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.41 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.1 p -63.72 155.83 28.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.242 0.544 . . . . 0.0 111.496 -176.566 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.7 17.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.983 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.528 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 64.1 mt -62.1 142.22 95.59 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-O 120.599 0.238 . . . . 0.0 110.446 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 139.81 90.0 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.399 2.066 . . . . 0.0 111.394 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.84 -31.41 42.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.253 2.635 . . . . 0.0 112.49 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.607 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 88.9 t80 -54.03 -51.87 62.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -65.9 -37.62 86.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.567 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 99.2 mttt -60.58 -44.66 95.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.1 -46.23 91.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.752 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 6.9 mmm180 -59.22 -47.34 85.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 91.8 mt -64.98 -44.27 89.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.283 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.12 -42.27 98.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.497 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.44 21.08 1.53 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.868 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.543 HD21 ' HB1' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -80.45 163.97 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.025 0.44 . . . . 0.0 109.894 178.48 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' H ' HD13 ' A' ' 59' ' ' LEU . 9.1 t30 -90.28 13.52 15.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.62 0.724 . . . . 0.0 110.401 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -96.02 141.61 29.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.315 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -104.63 6.04 34.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.133 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HD2' ' H ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -97.08 -31.66 12.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.582 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.49 109.1 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.092 168.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -68.66 152.16 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -2.83 35.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.14 -12.91 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.22 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.69 47.47 6.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.065 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.7 t -130.22 123.92 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 36.2 mm -97.33 112.48 29.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.0 t -134.52 111.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.19 0.519 . . . . 0.0 110.487 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -134.67 168.97 18.04 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.63 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' MET . 61.0 mttp -128.62 107.14 9.45 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.55 116.79 31.56 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.707 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -123.2 26.41 8.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.405 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.4 tp60 -72.72 -44.83 61.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.57 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.613 ' HD1' ' H ' ' A' ' 79' ' ' THR . 6.0 t80 -92.95 159.06 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.753 0.311 . . . . 0.0 110.462 -177.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' C ' ' HD3' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -70.38 -45.27 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.197 -178.439 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.613 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 5.4 p -97.99 149.9 21.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.649 0.262 . . . . 0.0 110.963 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.3 mt-30 -70.95 -48.95 50.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -175.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -37.41 85.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -176.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.7 -32.89 62.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.754 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.604 ' HB2' ' HB3' ' A' ' 77' ' ' TYR . 9.1 t30 -69.7 -37.59 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -54.49 -56.71 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.827 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.02 75.22 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.391 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.75 -50.99 68.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.589 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.69 -43.57 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.28 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.764 HD21 HD21 ' A' ' 17' ' ' LEU . 89.1 mt -63.86 -44.4 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.88 -41.41 87.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.286 0.565 . . . . 0.0 110.087 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.88 -42.02 98.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.16 -50.98 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.577 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.427 ' HB2' HD21 ' A' ' 2' ' ' LEU . 28.1 t -56.37 -43.27 79.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.78 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.28 -51.48 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.934 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.22 -46.32 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.57 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -52.49 46.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.583 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -73.79 -43.38 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.174 0.511 . . . . 0.0 111.138 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.51 -44.16 95.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.67 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -74.8 -15.58 60.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.553 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.03 -31.15 70.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.709 0.29 . . . . 0.0 111.421 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -11.16 37.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.621 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 98' ' ' ALA . 79.7 mt -77.03 103.86 7.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.086 0.469 . . . . 0.0 111.991 -173.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.78 -28.42 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.545 0.688 . . . . 0.0 109.41 168.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -81.66 80.34 8.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.879 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -82.04 104.45 12.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.421 0.629 . . . . 0.0 110.651 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -76.02 136.46 39.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -73.63 80.58 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.675 0.75 . . . . 0.0 110.048 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.448 ' HB3' ' H ' ' A' ' 108' ' ' HIS . 4.0 t-80 66.42 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.205 -1.361 . . . . 0.0 109.72 -174.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.448 ' H ' ' HB3' ' A' ' 107' ' ' HIS . 1.8 p-80 . . . . . 0 C--O 1.244 0.812 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 47.3 tp -103.9 104.49 14.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.519 . . . . 0.0 109.845 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -75.16 115.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.597 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.04 -53.64 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.13 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -141.48 -175.73 4.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.343 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -59.89 -44.25 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.812 0.339 . . . . 0.0 111.539 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -112.07 15.8 20.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.068 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -124.25 118.34 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.246 0.546 . . . . 0.0 110.034 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -132.71 144.14 50.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.043 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.657 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 88.0 mt -110.86 108.21 57.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.02 143.56 79.18 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.945 2.43 . . . . 0.0 111.801 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.9 -32.32 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.286 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.25 67.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.196 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -92.83 4.74 53.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.844 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -115.07 118.08 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.393 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 17.1 tp10 -99.12 97.13 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 0.0 110.635 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.41 HD13 ' CG ' ' A' ' 84' ' ' ARG . 57.6 mt -110.74 109.29 19.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.864 175.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -105.47 153.06 22.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.325 -176.23 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.12 116.99 32.89 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 38' ' ' HIS . 64.5 mt -96.47 125.23 49.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.072 0.463 . . . . 0.0 110.624 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -93.28 155.28 17.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.115 0.483 . . . . 0.0 110.786 174.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HB1' ' OE1' ' A' ' 23' ' ' GLN . . . -112.84 -167.62 1.21 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.73 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' OE1' ' HB1' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -72.3 132.2 43.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.19 0.519 . . . . 0.0 110.414 179.449 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.77 36.09 4.28 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.076 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.74 156.25 42.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.26 -167.67 38.44 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.675 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.07 -50.79 55.8 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.151 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 31.1 tt0 -98.32 4.49 48.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 0.0 110.192 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t30 68.21 146.14 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.147 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 m -125.36 103.4 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.341 0.591 . . . . 0.0 109.803 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -91.9 26.35 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.968 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -107.14 147.09 30.5 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.715 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 p -91.26 155.61 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -76.77 154.51 33.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.954 0.407 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.581 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.9 t -108.05 -1.76 20.19 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.7 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -77.78 111.81 13.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.269 -175.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.9 mtp -100.82 148.68 24.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.605 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 25.8 t-80 -99.73 128.88 45.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.592 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.557 HD22 ' HB1' ' A' ' 87' ' ' ALA . 41.2 tp -113.03 123.92 51.43 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.012 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 44.9 ttt180 -127.49 120.23 27.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.596 168.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.609 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 78.4 t80 -129.13 105.94 8.51 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.63 99.35 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.428 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.611 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 72.5 mt -62.46 -36.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.25 0.547 . . . . 0.0 109.73 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.73 -46.22 89.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.417 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.92 -10.55 36.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -169.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 p -78.24 171.8 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.217 0.532 . . . . 0.0 112.282 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 7.69 2.88 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.706 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.717 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.5 mt -65.03 134.35 96.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.717 0.294 . . . . 0.0 110.98 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 38.8 Cg_exo -62.61 150.29 88.27 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.54 2.16 . . . . 0.0 111.543 172.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.46 -32.03 41.27 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.147 2.565 . . . . 0.0 112.715 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -49.32 -50.91 37.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.187 0.518 . . . . 0.0 111.343 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.411 ' CD2' ' HD2' ' A' ' 49' ' ' PRO . 97.3 m-85 -73.93 -41.09 62.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.844 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.717 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.3 mttt -62.21 -40.71 96.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.682 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -58.84 -46.8 86.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 111.332 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.551 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . 35.4 mmt180 -66.06 -46.74 76.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 43' ' ' ILE . 84.3 mt -63.25 -44.49 95.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.801 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 1.3 tt -60.68 -40.03 90.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 0.0 110.605 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.98 26.61 6.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.858 -175.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.518 HD13 ' H ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -89.6 157.74 17.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.372 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.518 ' H ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -99.29 15.55 25.82 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.96 135.27 50.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.004 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -84.06 4.93 27.9 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.38 -172.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.597 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.1 mmp_? -103.95 -11.87 17.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.306 0.575 . . . . 0.0 109.92 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 70' ' ' ILE . 52.2 mt -98.61 112.5 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.517 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.2 p -82.73 165.06 20.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.217 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -73.06 4.96 3.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 0.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.9 -19.05 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.304 0.573 . . . . 0.0 109.6 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 22.21 46.73 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.092 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.65 139.03 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 110.673 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 46.6 mm -80.94 123.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.807 174.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.405 ' C ' HD12 ' A' ' 72' ' ' LEU . 24.0 t -127.58 116.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 63' ' ' ARG . 5.8 mp -143.93 173.57 11.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.585 0.707 . . . . 0.0 111.767 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -132.74 110.37 10.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.091 -1.413 . . . . 0.0 108.473 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -84.94 101.55 12.44 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -136.67 19.88 3.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.284 0.564 . . . . 0.0 110.259 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -81.43 -41.77 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.402 ' HD2' ' H ' ' A' ' 79' ' ' THR . 2.1 t80 -93.75 162.49 13.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -174.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -65.72 -35.76 81.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.931 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.402 ' H ' ' HD2' ' A' ' 77' ' ' TYR . 28.4 p -110.03 145.65 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.772 0.32 . . . . 0.0 111.561 -176.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.581 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 43.5 mt-30 -60.86 -40.05 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.788 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -59.44 -45.29 92.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.463 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -74.69 -31.81 62.0 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.969 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -62.34 -44.07 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.025 0.44 . . . . 0.0 109.87 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' CG ' HD13 ' A' ' 17' ' ' LEU . 32.5 ttt180 -55.79 -51.49 67.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.506 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.33 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.761 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -69.09 -46.88 66.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.59 . . . . 0.0 110.046 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.557 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -59.12 -42.36 90.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.449 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.65 -31.17 72.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.218 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.91 -54.27 44.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 95' ' ' ILE . 2.9 tm? -56.5 -51.99 66.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.547 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.554 ' HB2' HD21 ' A' ' 2' ' ' LEU . 22.9 t -69.09 -37.16 78.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.249 -176.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 4.6 mm-40 -70.09 -47.23 62.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.449 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -60.44 -39.31 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -176.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 91' ' ' LEU . 55.6 mt -54.89 -50.23 63.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 0.0 111.116 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.543 HG12 ' HE3' ' A' ' 100' ' ' LYS . 40.1 t -76.15 -34.31 26.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.535 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 3.1 t-20 -64.26 -35.58 81.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.899 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 55' ' ' ARG . . . -61.01 -21.51 63.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.777 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.43 -18.65 58.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.377 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.543 ' HE3' HG12 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -89.53 -25.35 21.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 109.942 178.081 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.9 mt -89.38 164.3 14.94 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.725 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -112.22 -81.04 0.59 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -147.16 23.42 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 0.0 110.473 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -81.64 117.14 21.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.92 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -99.32 11.02 40.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.019 0.437 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -101.59 131.75 47.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.113 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -145.0 97.76 3.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.917 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 t60 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.571 176.76 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 49.3 ttm . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.611 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.1 tp -97.08 95.38 7.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.15 116.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.242 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -91.71 -52.94 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -148.76 -166.27 2.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.349 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.81 -52.16 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.417 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -108.89 13.34 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -172.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -124.91 117.45 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.356 0.598 . . . . 0.0 110.185 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 73.6 m-70 -133.93 133.28 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.014 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 89.2 mt -109.04 112.92 59.69 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-O 120.686 0.279 . . . . 0.0 110.628 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 27.2 Cg_exo -61.98 142.01 91.32 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.624 2.216 . . . . 0.0 111.171 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -55.15 -39.02 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.531 0.682 . . . . 0.0 110.703 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -11.7 57.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.348 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 23.4 mt-10 -86.81 -5.4 59.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.48 0.657 . . . . 0.0 110.167 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -108.88 111.73 37.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.303 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.6 tp10 -86.52 104.06 15.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 -178.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -96.38 110.47 22.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 3.7 m -115.44 155.05 28.15 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.39 132.43 53.96 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.377 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -115.03 119.46 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.847 0.356 . . . . 0.0 110.576 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -87.16 165.48 15.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.643 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -77.27 135.4 38.43 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -167.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.32 135.06 39.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 169.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 29' ' ' ASN . . . -140.39 60.12 0.57 Allowed Glycine 0 C--N 1.315 -0.611 0 C-N-CA 120.09 -1.052 . . . . 0.0 113.563 -171.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.65 163.84 12.67 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.02 -136.14 12.62 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.725 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.22 -11.33 76.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.139 -175.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.508 ' HG2' HG13 ' A' ' 30' ' ' VAL . 29.4 tt0 -131.88 108.81 9.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.0 110.434 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 15.0 m120 -97.63 101.18 12.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.12 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG13 ' HG2' ' A' ' 28' ' ' GLN . 6.6 m -107.6 104.91 17.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.45 0.643 . . . . 0.0 111.144 -176.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.06 45.36 1.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.797 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HG2' ' HB ' ' A' ' 30' ' ' VAL . 60.6 pttt -121.11 159.71 25.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.729 -178.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.7 p -81.1 153.7 4.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.031 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 21.3 t -104.46 158.77 16.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.554 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.0 p -97.23 2.89 51.44 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.024 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.96 105.84 2.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.004 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 88.9 mmm -96.34 141.9 29.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.423 177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 57.3 t-80 -105.62 116.56 32.15 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.337 0.589 . . . . 0.0 109.413 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.752 HD23 HD21 ' A' ' 72' ' ' LEU . 62.3 tp -100.66 120.35 39.93 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.137 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 39.2 ttt180 -118.09 109.9 16.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -112.19 108.71 18.05 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.78 97.31 2.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.175 0.512 . . . . 0.0 111.316 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 56' ' ' LEU . 58.5 mt -54.63 -39.88 48.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.747 . . . . 0.0 109.579 173.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -66.18 -57.29 7.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.721 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.35 -20.97 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -63.28 155.72 27.71 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.181 0.515 . . . . 0.0 112.234 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -75.41 8.26 2.93 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.744 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' HG ' HD21 ' A' ' 10' ' ' LEU . 68.2 mt -65.6 137.65 96.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.817 177.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 52' ' ' TYR . 10.0 Cg_endo -54.38 153.25 23.18 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.195 2.597 . . . . 0.0 112.728 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 50.8 Cg_exo -54.86 -34.7 86.57 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.143 2.562 . . . . 0.0 112.29 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -54.02 -46.59 71.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.968 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 19.5 m-85 -71.23 -37.81 71.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.951 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -58.0 -44.5 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.043 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -57.08 -47.77 80.22 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.331 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -57.87 -48.75 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.595 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 43' ' ' ILE . 97.4 mt -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -178.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.29 -34.06 77.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.022 0.439 . . . . 0.0 111.928 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.97 18.88 5.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 2.6 tp -79.2 156.94 27.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.361 0.6 . . . . 0.0 109.383 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.408 ' HB2' ' H ' ' A' ' 104' ' ' HIS . 6.5 m-20 -97.41 16.51 19.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.227 -177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.48 133.71 47.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.53 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 107' ' ' HIS . 23.2 m -78.55 -2.55 39.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.03 -174.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -81.74 -6.46 59.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.304 0.573 . . . . 0.0 109.83 173.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.2 mm -85.13 114.19 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.143 172.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.9 p -99.53 153.06 19.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 m -65.36 -16.13 63.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.187 0.517 . . . . 0.0 111.041 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.99 -9.01 57.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.326 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 46.46 30.2 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 63.2 t -135.61 135.27 51.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 111.119 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 38.9 mm -85.21 117.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.22 122.65 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.598 0.713 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD21 HD23 ' A' ' 39' ' ' LEU . 1.8 pt? -154.06 175.51 13.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.962 176.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.57 116.32 12.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.502 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 106.87 18.77 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.575 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.16 22.12 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.289 0.566 . . . . 0.0 110.101 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.5 tp60 -64.42 -52.2 59.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.065 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -95.99 171.29 8.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -71.81 -42.71 66.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.843 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 p -99.62 156.84 16.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.951 0.405 . . . . 0.0 111.154 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 47.1 mt-30 -70.28 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.86 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -62.95 -29.5 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.224 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -70.99 -47.13 60.61 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.544 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 92.8 m-20 -66.63 -28.77 68.75 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.357 0.598 . . . . 0.0 110.305 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 39.3 ttt180 -54.59 -53.17 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.05 172.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.2 72.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.097 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 30.9 t70 -56.55 -53.73 54.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.671 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.564 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -57.4 -42.43 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.504 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.22 -41.9 93.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.007 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.6 -49.47 73.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.017 0.437 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -64.84 -29.71 70.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.39 -51.77 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.8 p -62.02 -37.12 83.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -64.5 -40.7 96.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.019 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.77 -44.37 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.972 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.8 t -74.65 -36.86 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.096 0.475 . . . . 0.0 110.508 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.84 -45.43 94.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.16 -17.1 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.61 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.0 -30.21 35.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.808 0.337 . . . . 0.0 110.544 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -91.81 -25.87 18.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.306 0.574 . . . . 0.0 110.847 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.1 mt -114.37 -174.06 2.41 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.351 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -160.71 -58.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.887 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -93.02 106.2 18.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.152 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.408 ' H ' ' HB2' ' A' ' 60' ' ' ASN . 71.8 t60 -135.96 92.75 2.84 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -78.2 109.09 11.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.619 -172.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -111.23 -51.87 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.063 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.438 ' HA ' ' OG ' ' A' ' 62' ' ' SER . 4.7 t-160 73.41 -4.49 2.2 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.79 0.836 . . . . 0.0 112.197 175.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.1 t60 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.831 -0.604 . . . . 0.0 109.806 172.823 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.1 ttp . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.798 0.332 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.567 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.0 tp -83.93 97.62 9.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.435 0.636 . . . . 0.0 109.85 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.86 109.55 15.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.108 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.62 -41.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.964 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 t -146.08 175.54 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.115 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.02 -30.63 71.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.363 0.602 . . . . 0.0 110.297 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -111.69 7.62 20.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.251 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -128.03 117.78 46.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.188 0.518 . . . . 0.0 110.135 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -136.9 134.19 36.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.933 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 70.9 mt -114.97 108.67 48.11 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.422 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.787 ' HG2' ' HG3' ' A' ' 14' ' ' GLU . 17.9 Cg_endo -64.52 146.51 89.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.293 1.995 . . . . 0.0 111.846 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.39 -34.14 68.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.806 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.96 64.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.876 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.787 ' HG3' ' HG2' ' A' ' 11' ' ' PRO . 39.5 mt-10 -85.3 -0.62 55.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.159 0.504 . . . . 0.0 111.575 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -109.65 115.64 50.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.525 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.0 tp10 -85.45 91.87 8.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.278 0.561 . . . . 0.0 110.216 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 HD21 ' A' ' 88' ' ' LEU . 89.7 mt -93.38 115.68 28.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.246 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.28 158.82 43.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.543 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.49 141.72 44.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.5 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt -93.78 121.1 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.217 0.532 . . . . 0.0 110.438 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -83.92 136.81 33.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.28 -175.42 3.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -162.39 143.52 10.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.534 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -61.92 5.86 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.594 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 70.74 139.98 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.736 0.779 . . . . 0.0 112.775 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.58 -134.66 35.65 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.656 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.13 23.16 9.37 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.899 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -103.17 115.71 31.11 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -78.39 89.42 4.39 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.17 -178.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.22 73.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.316 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -103.12 82.57 2.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.648 0.737 . . . . 0.0 109.634 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -148.68 139.6 22.97 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.963 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.95 125.87 24.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.293 0.568 . . . . 0.0 110.976 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 m -71.91 159.14 34.76 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.553 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 75' ' ' GLN . 12.5 t -88.39 30.78 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.306 0.574 . . . . 0.0 109.477 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 118.81 30.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.997 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.594 ' SD ' ' HB3' ' A' ' 80' ' ' GLN . 87.9 mmm -107.74 147.44 30.78 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.168 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -109.58 116.93 32.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.087 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 2.7 mm? -112.21 119.95 40.11 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.616 -175.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 41.7 ttt180 -123.71 114.74 20.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.016 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 75.9 t80 -108.34 118.18 36.1 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.26 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -88.58 93.92 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.91 -31.64 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.789 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -66.8 -53.12 36.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.95 -178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.94 -31.17 45.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 p -58.29 154.94 12.45 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -76.94 34.93 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.485 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.693 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 73.6 mt -85.3 143.52 39.34 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.563 0.22 . . . . 0.0 110.53 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.16 146.61 87.13 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.343 2.029 . . . . 0.0 111.412 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.58 -31.77 71.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.992 2.461 . . . . 0.0 112.546 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -51.41 -46.88 63.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 81.9 m-85 -74.96 -45.9 39.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.763 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.693 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 97.6 mttt -57.72 -39.88 78.3 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.405 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.24 -57.12 14.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.239 0.542 . . . . 0.0 110.924 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -63.58 -29.52 70.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.325 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 95' ' ' ILE . 94.8 mt -68.8 -47.46 66.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.182 0.515 . . . . 0.0 110.294 173.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.08 -17.73 64.46 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.296 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.72 12.58 31.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.34 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 59' ' ' LEU . 12.0 mt -82.75 169.52 16.07 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-O 120.945 0.402 . . . . 0.0 110.092 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.92 16.21 26.36 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.425 0.631 . . . . 0.0 109.75 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.73 133.14 34.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.197 -174.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -79.77 -14.89 58.39 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.887 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -72.3 -24.45 61.33 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.238 0.542 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.6 mt -81.56 110.17 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.738 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.0 p -85.51 162.94 18.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.407 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.4 m -69.31 -16.21 63.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.453 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.04 -9.04 58.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.591 177.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.52 27.1 33.6 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.086 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -123.37 136.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 12.5 tt -115.2 127.87 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 8.3 p -124.02 137.79 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -177.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.17 164.06 29.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.633 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -124.91 106.38 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.197 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.4 103.73 15.93 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.1 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 35' ' ' SER . 37.7 tt0 -140.14 20.18 2.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.448 0.642 . . . . 0.0 109.659 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -81.34 -47.49 13.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.385 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.409 ' HD2' ' HB3' ' A' ' 82' ' ' GLN . 3.4 t80 -86.32 176.32 7.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.673 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -70.71 -32.02 69.08 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -126.12 149.78 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.183 0.516 . . . . 0.0 112.346 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.594 ' HB3' ' SD ' ' A' ' 37' ' ' MET . 49.5 mt-30 -68.21 -39.22 82.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.75 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 42.5 tt0 -61.51 -40.58 95.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.576 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.409 ' HB3' ' HD2' ' A' ' 77' ' ' TYR . 66.1 mm-40 -72.42 -38.58 68.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -61.0 -35.83 77.88 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 120.863 0.363 . . . . 0.0 110.108 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 64.3 ttt180 -57.2 -58.68 7.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.411 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.99 88.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.604 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.77 -49.8 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.58 86.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.446 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD21 HD21 ' A' ' 17' ' ' LEU . 84.0 mt -64.49 -37.56 87.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 tt -66.41 -45.26 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -62.29 -39.4 92.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.328 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 95' ' ' ILE . 45.7 tp -67.95 -52.21 38.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.248 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 p -61.04 -39.21 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -61.17 -50.27 73.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.662 175.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.66 -43.77 76.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.885 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.533 ' HA ' HD21 ' A' ' 56' ' ' LEU . 75.7 mt -58.88 -48.28 86.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.058 0.456 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.518 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 44.7 t -74.29 -34.83 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.411 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 16.9 t-20 -61.54 -37.13 82.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.777 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.41 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.939 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.7 -11.72 52.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.829 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 78.3 mttt -87.39 -26.24 23.42 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.086 0.469 . . . . 0.0 110.041 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 90.7 mt -85.52 109.0 18.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.314 -174.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -95.26 -148.59 0.29 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 20.8 m170 66.85 -164.19 0.23 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -124.3 -23.03 4.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 171.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.461 ' HB3' ' H ' ' A' ' 106' ' ' HIS . 2.2 t-80 60.36 -96.62 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.211 173.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.461 ' H ' ' HB3' ' A' ' 105' ' ' HIS . 0.2 OUTLIER -169.95 124.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -101.07 -9.37 21.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.331 0.586 . . . . 0.0 109.607 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 C--O 1.248 0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.219 172.06 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 ttm . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.916 0.389 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.9 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 7.5 mp -87.23 102.15 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.936 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -76.54 110.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.505 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.8 mt -101.95 -42.56 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.306 0.575 . . . . 0.0 109.798 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 43.2 m -149.56 -175.43 5.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.674 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.32 -36.7 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.751 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -112.53 9.93 19.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.423 . . . . 0.0 111.204 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 47.2 t -124.74 117.63 50.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 109.925 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -143.54 144.55 32.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.776 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.9 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.5 mt -105.41 110.86 64.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.134 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.32 139.29 49.34 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.911 2.407 . . . . 0.0 111.848 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.79 -40.6 72.92 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.182 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -22.91 65.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.961 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.2 -1.07 57.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 110.971 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG22 ' HG ' ' A' ' 17' ' ' LEU . 55.1 mt -107.85 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.3 tp10 -88.9 107.97 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 88' ' ' LEU . 93.5 mt -110.53 111.92 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.034 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.568 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -100.08 142.07 32.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.145 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.3 130.89 52.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.179 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.9 mt -106.9 128.82 61.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.142 0.496 . . . . 0.0 110.728 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 40.5 mtp180 -65.04 169.05 5.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.487 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.6 129.64 39.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -65.96 109.54 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.767 0.794 . . . . 0.0 112.411 -173.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.44 54.74 0.53 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.056 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.01 127.84 34.37 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.805 -0.698 . . . . 0.0 111.341 -174.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.55 -68.47 3.54 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.016 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -136.71 -168.51 11.45 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 66.8 99.9 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.83 0.824 . . . . 0.0 110.861 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.59 92.87 6.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.216 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.2 m -131.9 113.53 22.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.492 0.663 . . . . 0.0 111.338 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -103.44 81.4 1.92 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.042 0.925 . . . . 0.0 108.932 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -127.1 147.31 50.17 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 113.757 -1.565 . . . . 0.0 110.277 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.524 ' HA ' ' HA ' ' A' ' 21' ' ' ARG . 42.4 t -99.57 122.16 51.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 171.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -95.41 -178.34 4.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.028 0.442 . . . . 0.0 110.924 -170.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 m -82.26 0.89 39.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.154 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 116.44 17.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.662 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.48 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 88.8 mmm -109.06 152.3 25.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.305 177.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 42.5 t-80 -120.02 127.52 52.68 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' A' ' 87' ' ' ALA . 9.0 mp -104.79 135.19 46.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.607 -174.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 8.2 tpt180 -136.07 101.41 4.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 171.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 87.0 t80 -129.32 104.66 7.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.939 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.6 103.59 7.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.525 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 63.7 mt -59.8 -33.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.119 -0.696 . . . . 0.0 109.119 174.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -55.01 -56.64 17.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.849 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.92 1.08 50.02 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -78.09 166.17 23.11 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.055 0.455 . . . . 0.0 111.595 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 m -76.53 9.88 2.45 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.247 -176.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.666 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 79.8 mt -63.92 142.62 98.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.69 177.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 18.7 Cg_exo -67.06 136.98 42.83 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.36 2.04 . . . . 0.0 111.379 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 53' ' ' LYS . 10.0 Cg_endo -53.9 -29.18 52.39 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.108 2.538 . . . . 0.0 112.226 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.19 -46.67 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.576 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -77.05 -34.66 57.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.46 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.666 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.2 mttt -61.7 -44.81 96.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.142 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -38.38 79.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.372 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 96.2 mtt180 -63.55 -45.65 89.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 0.0 110.749 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD13 HD13 ' A' ' 43' ' ' ILE . 95.1 mt -64.08 -46.59 83.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.1 -25.06 67.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.056 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.06 9.12 37.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.838 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.14 159.82 27.27 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.242 0.544 . . . . 0.0 110.311 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -96.64 16.51 18.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.696 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 9.7 t70 -87.49 160.94 18.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.528 -172.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.9 m -100.92 -15.9 17.38 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.62 -174.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 12.7 mmt180 -75.8 -38.4 58.26 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.67 109.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.655 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.6 161.0 27.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -73.99 -5.74 43.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -169.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -99.17 0.41 43.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.09 50.45 22.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.864 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG12 HG23 ' A' ' 71' ' ' VAL . 47.4 t -129.39 137.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.779 0.323 . . . . 0.0 110.189 -178.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.0 mm -104.14 108.34 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.1 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.479 ' C ' HD12 ' A' ' 72' ' ' LEU . 34.9 t -126.74 112.53 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 71' ' ' VAL . 8.3 mp -135.09 173.92 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.386 0.612 . . . . 0.0 111.379 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -133.81 107.0 7.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.166 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -93.56 114.87 27.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.679 -171.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -149.08 94.7 2.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.063 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -140.37 -64.19 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.45 175.9 10.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.575 -173.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -57.39 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.925 -177.105 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.4 p -106.89 159.26 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.232 0.539 . . . . 0.0 112.108 -170.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -60.42 -36.8 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.665 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.29 -50.98 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.05 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.77 -32.88 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.216 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -65.81 -35.54 80.98 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.839 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -60.92 -53.58 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.472 0.654 . . . . 0.0 109.934 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.6 90.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.996 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.54 -53.88 48.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.537 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -60.01 -46.66 88.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.795 -177.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD21 HD11 ' A' ' 17' ' ' LEU . 78.6 mt -63.85 -39.31 93.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 111.371 -178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.85 -47.86 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 109.859 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.34 -28.3 66.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.235 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.91 -51.64 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.084 0.468 . . . . 0.0 110.218 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 p -64.96 -35.2 80.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.573 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.06 -54.82 40.35 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.083 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 tt -52.0 -47.51 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.908 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -63.23 -52.06 63.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.897 0.379 . . . . 0.0 111.846 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.435 HG12 ' NZ ' ' A' ' 100' ' ' LYS . 40.1 t -73.21 -34.04 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.457 0.646 . . . . 0.0 110.718 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -68.04 -42.17 80.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HA ' ' HB3' ' A' ' 101' ' ' LEU . . . -64.43 -14.26 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.754 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.467 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -70.29 -19.27 63.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.435 ' NZ ' HG12 ' A' ' 96' ' ' VAL . 12.1 mptt -95.88 -13.35 24.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.283 0.563 . . . . 0.0 110.134 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.61 HD11 ' HB2' ' A' ' 105' ' ' HIS . 19.7 tp -108.94 147.56 32.04 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.81 -165.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.34 104.3 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.156 -1.054 . . . . 0.0 108.156 174.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 57.45 -162.91 0.19 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.184 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.7 m80 64.89 14.87 9.55 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.807 0.336 . . . . 0.0 111.025 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.61 ' HB2' HD11 ' A' ' 101' ' ' LEU . 48.5 t60 -132.92 153.73 51.11 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -174.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.6 t60 77.69 -42.33 0.37 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.039 0.837 . . . . 0.0 110.012 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -154.43 121.89 5.75 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.847 178.079 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.934 0.397 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.597 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 58.5 tp -83.17 95.86 8.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.177 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.0 109.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.033 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.73 -37.74 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.258 0.552 . . . . 0.0 110.101 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -151.79 171.4 17.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.544 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -64.21 -27.77 69.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 0.0 110.205 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -108.01 6.13 26.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.281 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -136.11 118.05 20.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.753 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -133.84 137.26 44.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.597 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 67.7 mt -114.61 114.98 44.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.32 145.6 78.24 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.897 2.398 . . . . 0.0 111.924 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -62.69 -29.13 70.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.23 0.538 . . . . 0.0 111.299 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -23.0 66.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.198 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -88.45 8.97 25.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.07 0.462 . . . . 0.0 110.986 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.74 114.92 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.525 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -102.09 118.41 36.83 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.217 0.532 . . . . 0.0 110.522 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HG ' ' HE ' ' A' ' 84' ' ' ARG . 3.2 mm? -99.64 110.75 23.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.336 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.586 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -106.41 148.17 28.42 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.524 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.83 132.9 49.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.0 mt -93.5 105.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 109.884 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -75.48 150.94 38.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.667 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -90.81 118.61 30.36 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.339 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.52 140.5 46.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.334 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' HA3' ' HB ' ' A' ' 30' ' ' VAL . . . -160.97 108.06 0.34 Allowed Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.982 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.31 134.5 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.44 -53.5 0.56 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.931 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.9 -85.73 0.16 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.058 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' C ' ' H ' ' A' ' 30' ' ' VAL . 31.9 tp60 -112.41 169.63 8.74 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -175.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.3 t30 72.87 -16.11 0.48 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.191 0.996 . . . . 0.0 111.663 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.514 ' HB ' ' HA3' ' A' ' 24' ' ' GLY . 14.1 m -112.93 17.39 7.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 122.024 0.916 . . . . 0.0 109.428 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -99.97 19.9 15.37 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.108 -1.406 . . . . 0.0 109.441 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -90.13 121.6 32.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.344 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -71.18 140.09 18.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.841 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.571 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 13.6 t -84.65 160.21 20.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.167 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.4 m -101.57 7.35 42.28 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.884 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.95 122.4 20.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.627 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.429 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 93.4 mmm -106.73 148.94 27.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.733 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.586 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 32.1 t-80 -116.05 123.79 48.81 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.073 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.12 131.97 54.66 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.493 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -122.83 119.01 29.29 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.717 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.1 t80 -127.55 102.3 6.79 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.799 176.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.73 100.54 4.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.386 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 70' ' ' ILE . 76.6 mt -58.34 -29.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.808 0.814 . . . . 0.0 109.341 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.73 -48.35 72.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.051 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.17 9.62 42.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -171.038 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 p -91.48 176.68 6.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.865 0.365 . . . . 0.0 111.294 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -83.86 19.2 1.77 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.642 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 89.1 mt -71.82 126.04 91.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 177.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 32.2 Cg_exo -59.33 151.58 66.88 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.921 2.414 . . . . 0.0 112.201 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.68 -45.32 24.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.757 2.972 . . . . 0.0 113.107 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -54.39 -52.19 62.47 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.041 0.448 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 97.8 m-85 -67.8 -43.61 79.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.003 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 37.5 ttmt -57.57 -45.54 85.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.093 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.91 -50.05 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.219 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -58.76 -42.13 88.21 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.621 0.768 . . . . 0.0 111.611 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 96.4 mt -66.28 -46.36 77.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.199 0.523 . . . . 0.0 110.865 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD21 ' HA2' ' A' ' 68' ' ' GLY . 30.5 mt -67.89 -19.05 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.079 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.02 14.75 28.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.446 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.7 mt -81.72 174.97 10.85 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 121.192 0.52 . . . . 0.0 110.481 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.54 16.2 24.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.537 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.63 -175.87 5.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.974 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -127.22 -17.34 4.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.965 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -75.52 -24.68 56.82 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 175.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.4 HG12 HD11 ' A' ' 70' ' ' ILE . 62.8 mt -93.63 112.64 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.841 176.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.6 p -81.49 149.96 28.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.499 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -65.48 -19.4 65.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.32 -23.89 59.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.48 0.657 . . . . 0.0 110.135 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . 101.86 31.05 5.55 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.849 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.34 128.88 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 28.6 mm -87.87 115.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.773 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.434 ' C ' HD12 ' A' ' 72' ' ' LEU . 44.0 t -124.29 119.54 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.117 0.485 . . . . 0.0 110.924 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -138.17 172.7 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -132.25 109.6 10.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -84.41 112.79 20.68 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.535 -176.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.1 pt20 -142.04 27.36 1.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.006 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.66 -36.68 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.618 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.37 163.65 13.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.643 -177.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -88.17 -32.21 18.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.33 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -85.54 126.85 34.18 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.263 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -58.24 -39.98 80.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.746 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.71 -48.77 58.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.21 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -68.88 -32.84 72.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.66 -36.79 84.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.321 0.581 . . . . 0.0 109.958 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HE ' ' HG ' ' A' ' 17' ' ' LEU . 45.0 ttt180 -62.08 -50.59 71.36 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.68 174.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.43 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.571 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 26.1 t70 -58.63 -53.46 58.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.68 78.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.676 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 92.6 mt -66.35 -45.21 80.96 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.004 0.431 . . . . 0.0 110.91 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.42 -41.34 89.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 6.7 ttt180 -62.76 -41.23 99.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.908 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 95' ' ' ILE . 52.5 tp -62.11 -52.31 64.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.832 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 p -62.38 -40.29 95.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.184 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.25 -49.53 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.063 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.63 -44.26 93.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.719 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -59.09 -48.02 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 50.8 t -71.73 -39.6 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 10.8 t-20 -62.82 -41.43 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.442 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.53 73.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.004 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.04 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.82 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 56.7 mtpt -72.48 -21.03 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.37 0.605 . . . . 0.0 110.392 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.51 148.02 24.7 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.167 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -92.91 -47.43 7.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.451 0.643 . . . . 0.0 109.566 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -156.53 -45.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.762 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.506 ' HB3' ' H ' ' A' ' 105' ' ' HIS . 1.3 t60 55.55 -122.88 1.9 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.885 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.506 ' H ' ' HB3' ' A' ' 104' ' ' HIS . 21.5 p80 -174.21 135.78 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -138.07 52.46 1.85 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -73.38 118.11 15.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.084 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.8 p80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.37 -0.824 . . . . 0.0 109.823 -178.618 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 52.9 ttm . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.841 0.353 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.928 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 6.5 mp -82.47 89.01 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.058 0.456 . . . . 0.0 109.968 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.12 109.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.977 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.5 mt -100.76 -41.39 8.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.307 0.575 . . . . 0.0 109.67 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.704 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 18.6 m -127.73 163.05 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.608 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -61.07 -35.99 78.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.817 0.342 . . . . 0.0 110.783 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -108.12 10.74 27.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.105 0.478 . . . . 0.0 110.841 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.704 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 91.0 t -130.25 117.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 110.274 -178.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.427 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 19.5 m-70 -133.8 148.9 51.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.985 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.928 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.1 mt -112.64 117.82 46.15 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.75 0.31 . . . . 0.0 110.606 173.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -73.05 142.81 35.1 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.896 2.397 . . . . 0.0 111.89 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.53 -39.21 72.97 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.94 67.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.236 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.17 -5.03 59.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.473 . . . . 0.0 111.161 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -104.96 114.04 43.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.399 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 5.5 tp10 -92.72 108.59 20.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.004 0.431 . . . . 0.0 110.679 -175.717 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -94.1 110.39 22.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.683 176.288 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.646 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -103.21 157.06 17.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.806 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.35 133.98 55.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.156 0.503 . . . . 0.0 111.364 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.527 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 19.3 mt -109.0 168.16 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' HG22 ' A' ' 20' ' ' ILE . 70.2 ttt180 -131.92 135.06 46.34 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.36 123.57 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -68.45 154.03 42.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.787 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.65 44.85 3.01 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.659 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -157.07 119.24 3.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.04 144.55 4.42 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.323 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.14 69.65 1.56 Allowed Glycine 0 N--CA 1.454 -0.126 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.037 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -160.96 139.87 10.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -70.79 97.82 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.425 0.631 . . . . 0.0 111.015 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.91 99.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.879 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -93.49 19.35 8.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.893 0.854 . . . . 0.0 109.804 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -165.12 144.33 6.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.547 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.06 125.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.92 0.39 . . . . 0.0 110.082 175.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 m -56.81 140.12 48.92 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -53.35 -60.33 3.44 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.821 0.7 . . . . 0.0 110.494 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB1' ' HB ' ' A' ' 20' ' ' ILE . . . 47.86 85.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 O-C-N 124.222 0.951 . . . . 0.0 113.455 173.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.634 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 25.8 mtt -100.04 153.48 19.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.58 0.705 . . . . 0.0 110.249 171.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.646 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 37.5 t-80 -114.48 122.37 46.39 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.738 178.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.58 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 mm? -96.83 126.52 42.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.696 -174.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 60.4 ttt180 -128.89 118.27 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.055 170.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.7 t80 -130.86 111.58 12.23 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.228 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.12 99.56 7.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.207 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.638 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 59.7 mt -61.16 -34.1 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.012 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.76 -49.77 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.346 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.32 1.83 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.2 p -77.63 161.16 28.02 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -73.51 2.76 7.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.437 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.551 ' HG ' HD21 ' A' ' 10' ' ' LEU . 78.3 mt -62.27 141.43 96.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 111.012 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 16.1 Cg_exo -69.05 153.75 71.66 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.668 2.245 . . . . 0.0 111.286 173.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.63 -27.67 52.24 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.101 2.534 . . . . 0.0 112.433 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.413 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.0 t80 -53.7 -52.44 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.143 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -74.28 -35.64 63.76 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.89 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.638 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.4 mttt -59.07 -42.76 91.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.09 -52.2 66.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.5 mmm180 -54.76 -39.83 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.582 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 93.2 mt -73.51 -46.32 48.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.335 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.3 tp -64.8 -41.95 95.39 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.13 21.43 1.67 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.199 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 8.2 mt -87.8 175.23 7.93 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.446 0.641 . . . . 0.0 111.255 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -111.2 15.49 21.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.311 1.053 . . . . 0.0 108.735 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.628 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 2.7 t70 -86.51 127.68 34.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.713 -171.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 p -83.66 4.56 28.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.908 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.628 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 4.9 ptp180 -89.83 -6.68 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.9 mt -109.65 130.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.066 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.8 p -90.89 150.64 21.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.574 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 m -64.29 -14.53 56.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.21 -12.72 45.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.507 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 38.69 5.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -124.22 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.732 0.301 . . . . 0.0 110.432 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.606 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.4 mm -95.36 119.19 43.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.797 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -136.09 118.06 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.458 0.647 . . . . 0.0 110.95 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.466 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.1 mp -137.41 176.46 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -124.53 114.76 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.107 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -93.75 102.18 14.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.557 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -136.55 24.18 3.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.815 0.817 . . . . 0.0 109.443 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.58 -57.31 4.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.697 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -83.07 162.37 21.38 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.763 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -71.54 -36.75 71.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.522 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 p -99.57 160.18 14.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.96 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -74.99 -44.41 48.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.182 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.33 -35.53 81.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.4 -33.08 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 0.0 110.562 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -66.95 -44.73 79.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.256 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.56 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 29.0 ttt-85 -51.17 -53.02 38.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.456 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.98 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.974 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.616 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 17.3 t70 -66.19 -44.29 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.329 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.83 78.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 90.3 mt -64.62 -35.22 80.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.464 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -69.53 -39.59 77.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.447 178.674 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 23.6 mmt180 -66.26 -34.14 77.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.44 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.42 -50.83 66.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -66.62 -40.66 88.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 3.5 tm-20 -55.41 -48.27 74.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.002 175.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD13 HH11 ' A' ' 63' ' ' ARG . 62.5 tp -56.14 -44.74 79.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.622 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.02 -46.78 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.777 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.68 -37.38 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.166 0.508 . . . . 0.0 110.165 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 3.3 t-20 -61.41 -45.33 94.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.615 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 59' ' ' LEU . . . -66.76 -24.24 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.7 24.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -94.8 -26.66 16.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 111.444 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.2 mt -117.09 168.54 10.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.594 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 103' ' ' HIS . 33.1 tt0 -121.75 123.02 40.83 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.326 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 43.5 m80 77.35 -41.97 0.38 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.508 0.723 . . . . 0.0 111.758 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 70.12 100.22 0.06 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -175.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -69.25 114.18 7.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.804 -170.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -165.92 138.97 4.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 170.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -94.03 90.54 6.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.275 0.559 . . . . 0.0 111.7 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.3 t60 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.231 -0.89 . . . . 0.0 108.811 176.287 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 48.2 tp -93.89 98.13 10.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.9 t -87.46 110.63 20.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.33 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -95.99 -38.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.444 0.64 . . . . 0.0 110.03 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -151.11 176.25 11.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.224 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.88 -42.27 93.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.859 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.24 10.16 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.185 0.517 . . . . 0.0 110.787 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.84 118.01 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.079 0.466 . . . . 0.0 110.727 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -133.13 152.56 51.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.508 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.661 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.2 mt -123.44 132.63 24.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 13.2 Cg_exo -69.6 135.44 30.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.749 2.299 . . . . 0.0 112.165 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.55 -39.66 77.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.101 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -26.33 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.869 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -87.33 6.73 32.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -116.52 118.87 60.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.553 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 13.4 tp10 -99.3 108.76 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.018 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.7 110.64 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.948 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -115.91 153.09 32.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.211 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.43 126.75 53.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.711 0.291 . . . . 0.0 110.666 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.85 119.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 110.574 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -90.36 145.13 25.19 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.121 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.86 147.55 24.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.257 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -80.75 141.65 34.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.44 56.99 0.78 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.64 171.26 14.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 -177.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.57 -91.5 1.68 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.649 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.49 -147.98 7.6 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.629 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' C ' ' H ' ' A' ' 30' ' ' VAL . 18.6 pt20 -104.13 -175.82 2.91 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 t30 70.43 -15.35 0.36 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.749 0.656 . . . . 0.0 111.748 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.45 ' H ' ' C ' ' A' ' 28' ' ' GLN . 10.4 m -90.26 64.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.081 0.943 . . . . 0.0 110.812 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -135.97 18.53 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.55 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -88.95 142.58 27.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.01 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.9 127.66 37.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -80.26 157.74 26.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.075 0.464 . . . . 0.0 111.099 -173.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 80' ' ' GLN . 43.3 m -98.72 7.47 46.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.106 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.58 117.16 18.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.41 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mtp -99.12 147.78 24.73 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.486 0.66 . . . . 0.0 111.261 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 19.2 t-80 -107.69 126.83 53.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.782 174.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.6 tp -120.73 128.7 53.18 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.194 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 29.3 ttt180 -121.3 113.26 19.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.08 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -110.95 105.74 14.62 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 46' ' ' SER . 8.5 t70 -74.19 120.25 19.5 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.26 -174.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.506 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 62.8 mt -80.24 -37.34 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.64 -57.66 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.252 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.05 13.94 15.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.215 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 83.0 p -68.37 146.11 53.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.651 0.262 . . . . 0.0 110.793 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 m -75.96 15.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.75 0.31 . . . . 0.0 111.628 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 87.5 mt -80.35 124.04 82.67 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.451 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 52' ' ' TYR . 73.1 Cg_exo -51.13 160.58 2.01 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.335 2.69 . . . . 0.0 112.87 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.89 -31.43 33.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.363 2.708 . . . . 0.0 112.601 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.76 -50.05 66.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 95.6 m-85 -69.98 -40.98 75.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.55 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 43' ' ' ILE . 42.3 mmtm -50.28 -53.14 30.59 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.328 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -55.82 -47.33 77.39 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 112.105 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 16.6 mmt-85 -60.49 -39.61 88.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.605 0.24 . . . . 0.0 111.633 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.8 -47.76 43.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.64 -27.96 69.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.078 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.29 16.05 25.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.07 157.58 18.28 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -100.42 16.0 25.99 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.029 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.24 144.36 27.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.436 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 m -76.58 -14.63 59.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.687 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HB3' HD12 ' A' ' 70' ' ' ILE . 27.9 mmt180 -67.62 -26.33 66.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.114 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.4 mm -77.99 115.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.052 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.2 p -106.92 159.67 16.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.208 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -70.55 -25.86 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.508 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -70.04 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 109.647 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 39.39 5.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.597 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 59.1 t -141.06 137.74 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 40.9 mm -84.26 109.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.2 t -117.54 126.49 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.385 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.22 163.08 34.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 111.151 177.309 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -136.98 106.47 6.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.157 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.99 114.31 27.13 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -168.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -121.16 30.29 6.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 166.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -57.18 -40.8 78.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.26 -1.337 . . . . 0.0 111.045 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.456 ' HD1' ' H ' ' A' ' 79' ' ' THR . 3.8 t80 -102.1 160.99 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.8 -41.61 95.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.75 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.456 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 3.3 p -101.93 145.37 29.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.692 -176.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.483 ' HB2' ' HA ' ' A' ' 35' ' ' SER . 8.3 tt0 -69.46 -36.87 77.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.086 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 81' ' ' GLU . 1.4 mp0 -58.59 -37.83 76.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.658 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -75.1 -38.92 61.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.243 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.91 -39.74 75.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.939 0.4 . . . . 0.0 110.346 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -55.9 -57.32 12.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.215 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.66 -34.73 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.434 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.02 -53.1 59.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.792 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.76 92.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.617 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.94 -35.27 79.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -53.14 46.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.849 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -67.5 -28.49 67.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.726 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.56 -50.85 70.98 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -65.34 -36.57 84.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.295 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.02 -47.82 81.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.877 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.72 -40.58 75.94 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.311 0.382 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.61 -48.9 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.53 HG12 ' HE2' ' A' ' 100' ' ' LYS . 36.5 t -76.46 -34.17 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.255 0.55 . . . . 0.0 110.105 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -53.39 -54.82 31.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.374 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.35 64.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.722 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.477 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -72.44 -23.8 61.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.339 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.53 ' HE2' HG12 ' A' ' 96' ' ' VAL . 66.1 mttm -85.69 -26.52 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 111.295 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.18 114.94 21.04 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.934 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -87.98 -66.27 0.93 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.229 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -127.82 83.22 2.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.989 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -139.54 115.92 10.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.152 0.501 . . . . 0.0 111.878 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -94.29 165.18 12.72 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 170.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 65.27 94.45 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.674 0.609 . . . . 0.0 111.036 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -120.06 6.9 10.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.406 0.622 . . . . 0.0 109.568 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.839 177.687 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 56.4 ttp . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.083 0.468 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 58.8 tp -88.15 99.97 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.632 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.28 109.89 18.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.978 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -79.9 -43.08 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.633 0.73 . . . . 0.0 109.938 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -151.5 172.47 15.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.731 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -45.69 -46.69 15.0 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -176.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -106.25 13.79 28.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.62 117.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.413 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 60.8 m-70 -131.4 135.77 47.46 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.899 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 10' ' ' LEU . 27.0 mt -113.07 104.57 55.82 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.77 145.52 89.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.871 2.381 . . . . 0.0 112.149 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.91 -40.82 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.308 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.2 -29.84 70.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.824 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -89.44 2.25 54.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 111.587 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.406 HG22 ' HG ' ' A' ' 17' ' ' LEU . 58.5 mt -100.18 102.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.485 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.5 tp10 -81.99 104.24 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 110.301 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD13 ' HE ' ' A' ' 84' ' ' ARG . 90.4 mt -110.38 134.61 52.14 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.629 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.92 156.17 47.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.54 127.76 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -89.11 112.43 24.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -76.28 155.13 34.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.981 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.65 109.36 16.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.33 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -97.3 141.19 30.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.277 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' HA3' HG21 ' A' ' 30' ' ' VAL . . . -130.51 124.85 4.4 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.806 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.7 156.24 28.57 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.705 -0.248 . . . . 0.0 110.584 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.26 -143.25 15.86 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.84 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.6 49.54 0.92 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.78 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -124.29 156.57 36.71 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -68.95 105.52 2.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.379 0.609 . . . . 0.0 111.281 -176.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG21 ' HA3' ' A' ' 24' ' ' GLY . 4.1 m -131.5 89.63 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.738 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -131.61 17.83 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.504 0.668 . . . . 0.0 110.474 -173.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -106.13 139.7 40.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.078 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.77 24.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.71 0.767 . . . . 0.0 111.372 -172.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.9 t 64.0 167.68 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.858 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.584 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 44.6 m -134.69 7.44 3.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.863 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.99 102.65 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.32 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.4 mmm -96.62 141.44 29.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.788 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -119.21 126.93 52.71 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.682 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' HG ' HD23 ' A' ' 17' ' ' LEU . 8.3 mp -115.36 136.88 52.63 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.79 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 26.7 ttt180 -126.32 124.54 40.51 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.242 173.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -121.0 100.46 7.09 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.868 0.365 . . . . 0.0 110.064 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.89 92.72 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.194 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.542 HD13 ' HB3' ' A' ' 56' ' ' LEU . 64.6 mt -57.43 -37.12 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.634 . . . . 0.0 110.261 178.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.89 -44.59 72.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.3 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.68 -22.81 25.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.4 p -61.81 161.89 9.61 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 p -88.28 23.19 2.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.923 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.55 148.13 98.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.137 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.4 141.27 95.19 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.604 2.203 . . . . 0.0 111.492 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.537 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 9.5 Cg_endo -50.94 -38.79 59.2 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.432 2.755 . . . . 0.0 112.895 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -55.37 -49.15 73.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.204 0.526 . . . . 0.0 111.185 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -70.83 -36.67 73.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.941 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 94.0 mttt -58.87 -41.64 87.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.965 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 48.1 mt-10 -59.74 -46.03 90.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 111.002 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -62.35 -36.13 81.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.402 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 43' ' ' ILE . 94.4 mt -73.3 -46.16 51.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.154 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 89.9 mt -63.1 -39.13 93.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.8 45.3 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.466 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -84.64 -173.17 4.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.066 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -114.47 16.29 17.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.14 173.23 9.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.76 -176.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -119.76 -16.88 8.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.694 -175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 63' ' ' ARG . 55.9 mtt-85 -94.07 -14.99 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.93 114.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.183 170.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.62 162.29 24.3 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -176.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -86.72 10.42 15.85 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -166.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.75 0.11 23.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.541 0.686 . . . . 0.0 109.374 173.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.12 53.67 2.0 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.407 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.34 135.27 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 110.778 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.96 133.09 41.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.386 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.2 129.87 57.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.73 -177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -141.58 164.44 30.22 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -142.57 106.38 4.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.726 0.774 . . . . 0.0 109.956 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.78 102.0 14.7 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.495 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -132.77 46.75 2.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.141 177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.7 tp60 -108.35 -43.06 4.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.301 -173.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.35 168.84 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.99 -175.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 78' ' ' ARG . 40.1 ttt-85 -68.89 -42.91 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -173.211 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.8 p -108.93 157.88 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.81 0.338 . . . . 0.0 111.455 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.584 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.0 mt-30 -63.84 -43.37 96.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.424 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -62.36 -37.4 85.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.555 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -70.61 -39.7 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.894 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -66.75 -37.32 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.197 0.523 . . . . 0.0 109.828 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HE ' HD13 ' A' ' 17' ' ' LEU . 36.9 ttt180 -62.88 -48.8 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.194 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.53 89.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.065 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.47 -52.74 63.58 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.18 0.514 . . . . 0.0 110.874 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.26 91.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.45 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.97 -42.26 94.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.865 0.365 . . . . 0.0 111.103 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.23 -51.56 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.296 0.57 . . . . 0.0 109.536 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -62.66 -42.78 99.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.16 -48.17 81.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.298 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -63.23 -39.4 94.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.765 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.09 -43.74 81.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.129 0.49 . . . . 0.0 109.956 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.45 -44.1 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.459 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.541 ' HA ' HD21 ' A' ' 56' ' ' LEU . 70.7 mt -57.96 -49.27 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.108 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.44 -41.46 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.111 0.481 . . . . 0.0 110.417 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.2 t-20 -63.43 -34.58 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.791 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.17 70.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.72 62.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.32 -21.25 18.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.538 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 78.1 mt -83.17 109.74 17.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.959 -173.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -80.2 98.62 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.599 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -67.32 107.31 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.97 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -84.53 82.63 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.446 0.641 . . . . 0.0 110.715 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -176.16 130.46 0.23 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -76.17 142.97 41.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.888 0.375 . . . . 0.0 111.103 -172.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 69.12 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.554 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.266 -178.834 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -95.59 100.83 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.748 -176.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.16 110.48 20.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.177 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.1 mt -94.34 -65.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.059 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -127.92 -170.71 2.29 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -66.8 -45.39 78.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -96.77 2.38 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.174 0.512 . . . . 0.0 111.459 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -125.19 116.89 48.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.071 0.462 . . . . 0.0 110.684 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.5 m-70 -135.48 141.39 45.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.671 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 69.7 mt -106.9 101.92 39.81 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-O 120.856 0.36 . . . . 0.0 110.09 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.92 147.31 95.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.445 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.75 -33.69 64.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -25.18 67.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.494 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.39 -4.51 58.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.224 0.535 . . . . 0.0 110.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' HG ' ' A' ' 17' ' ' LEU . 45.2 mm -115.13 121.71 67.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.494 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 31.5 tt0 -101.7 95.35 6.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 0.0 109.934 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.553 ' HG ' HG22 ' A' ' 15' ' ' ILE . 94.9 mt -100.31 109.36 21.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.69 126.96 55.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.907 0.384 . . . . 0.0 111.276 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.98 120.0 32.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.302 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mt -117.54 160.17 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -91.97 -168.71 2.07 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.67 137.67 24.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.107 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.569 ' HA ' HG21 ' A' ' 30' ' ' VAL . 65.0 tt0 -88.11 133.39 34.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.27 0.557 . . . . 0.0 109.829 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.5 90.53 1.34 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.055 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.24 114.16 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.34 0.67 . . . . 0.0 111.389 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.77 -3.09 8.05 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.47 52.08 11.12 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.358 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -90.97 5.92 46.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.662 0.267 . . . . 0.0 111.211 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 57.84 91.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.01 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.569 HG21 ' HA ' ' A' ' 23' ' ' GLN . 2.5 m -90.1 87.8 2.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.688 0.756 . . . . 0.0 111.581 -176.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -97.74 18.3 16.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.043 0.925 . . . . 0.0 109.113 175.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -117.98 154.83 31.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.839 -177.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.2 p -86.39 137.77 20.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.128 0.489 . . . . 0.0 110.444 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m -103.91 164.41 11.71 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.803 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -90.57 29.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.007 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.2 114.72 25.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.191 0.52 . . . . 0.0 111.396 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 70.4 mtp -114.57 154.48 28.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.111 0.481 . . . . 0.0 111.003 174.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -123.9 131.49 53.59 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.3 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.7 mp -113.57 139.95 48.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.268 177.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.546 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 38.9 ttt180 -144.54 107.51 4.5 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.529 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.5 t80 -123.34 112.98 18.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.091 0.472 . . . . 0.0 111.101 -176.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 46' ' ' SER . 1.2 m-20 -75.03 97.77 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.472 176.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.21 -34.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -59.17 -43.67 92.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.485 -176.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.68 15.99 25.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 96.3 p -72.47 177.05 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 111.367 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -85.84 3.57 41.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.545 HD11 HD21 ' A' ' 10' ' ' LEU . 8.9 mp -68.43 136.97 90.96 Favored Pre-proline 0 CA--C 1.521 -0.172 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.586 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.75 145.64 89.2 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.602 2.201 . . . . 0.0 111.311 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.99 -37.56 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.684 2.923 . . . . 0.0 113.147 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.526 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 88.6 t80 -57.82 -54.08 50.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 39.6 ttmt -59.54 -46.5 88.68 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.966 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.49 -45.62 91.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.623 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 51' ' ' PHE . 57.4 mtp85 -58.74 -43.79 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.17 -45.42 85.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 0.0 111.085 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 73.4 mt -60.76 -29.04 69.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.96 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.44 31.58 5.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.816 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 59' ' ' LEU . 8.0 mt -87.59 170.05 11.63 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.023 0.44 . . . . 0.0 111.056 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.92 16.06 25.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.647 0.737 . . . . 0.0 109.128 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.8 165.47 22.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.995 -174.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -105.9 -12.27 15.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.132 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -39.57 15.22 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.0 mt -84.38 118.13 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.088 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.1 p -87.53 156.22 19.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.447 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 m -69.6 -7.61 40.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.79 -18.77 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.318 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' CD2' ' A' ' 57' ' ' LEU . . . 105.0 13.76 24.46 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.594 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.47 135.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.556 HG12 HD11 ' A' ' 72' ' ' LEU . 12.0 tt -99.72 120.6 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.104 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 4.0 mp -136.99 160.46 38.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.238 0.542 . . . . 0.0 110.251 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -130.35 104.85 7.51 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -87.86 101.8 14.08 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.404 -174.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.1 87.23 1.26 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.195 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -139.5 -42.42 0.45 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.85 178.15 8.31 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.256 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -70.55 -43.24 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.808 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.4 p -112.7 161.14 17.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.842 0.353 . . . . 0.0 111.5 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -67.92 -35.49 78.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.552 0.692 . . . . 0.0 109.268 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.47 -37.68 78.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.887 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -75.5 -40.43 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.585 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 91.3 m-20 -63.39 -34.42 77.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.241 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.31 -48.69 73.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.744 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.43 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.516 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.66 -49.43 76.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 0.0 110.354 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.71 99.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.89 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.8 -37.71 85.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.95 -43.12 83.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.3 0.572 . . . . 0.0 109.753 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 90' ' ' ARG . 3.8 ttt180 -61.17 -41.42 96.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.793 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.3 tp -58.63 -51.41 70.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.628 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 m -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.893 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -59.21 -41.07 87.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.505 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.29 -47.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -47.81 85.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.29 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -66.71 -38.3 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.329 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.61 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.712 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.83 71.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 100' ' ' LYS . 0.7 OUTLIER -96.01 -20.41 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.266 -179.069 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.11 125.01 33.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.549 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.68 14.57 4.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.133 0.492 . . . . 0.0 111.004 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -144.15 178.68 7.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.367 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -60.48 -50.88 71.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.9 t60 68.12 -69.12 0.15 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.684 0.615 . . . . 0.0 110.645 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 4.2 t60 178.02 -101.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 177.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 106' ' ' HIS . 17.7 t-80 171.91 -65.62 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.77 0.669 . . . . 0.0 109.248 171.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.442 -0.789 . . . . 0.0 109.559 174.965 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.894 0.378 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 3.8 mm? -97.17 103.3 15.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.208 0.528 . . . . 0.0 110.168 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -80.67 110.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.982 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -93.73 -41.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.283 0.563 . . . . 0.0 110.032 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 t -148.52 -177.2 5.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.154 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.08 -48.29 80.59 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.153 0.283 . . . . 0.0 111.489 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -111.89 19.26 18.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.37 0.605 . . . . 0.0 110.581 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.49 118.49 53.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -139.06 143.53 38.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.583 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 76.4 mt -109.45 103.62 53.24 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.78 140.11 78.45 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.678 2.252 . . . . 0.0 111.486 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.12 -39.04 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.16 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.82 -27.42 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.632 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -84.63 0.12 51.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -113.66 118.37 58.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.425 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.6 tp10 -73.86 103.74 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.958 0.409 . . . . 0.0 110.334 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.2 111.27 23.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.109 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.2 m -119.86 158.77 25.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.214 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.01 134.02 52.58 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 38' ' ' HIS . 53.9 mt -106.13 99.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.875 0.369 . . . . 0.0 110.055 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -80.43 128.76 33.95 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.06 113.19 25.26 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.183 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -73.96 132.65 42.64 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.913 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.33 -100.79 2.12 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.338 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 69.37 106.5 0.06 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.161 0.584 . . . . 0.0 110.676 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.39 -143.29 3.97 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.674 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.69 -42.33 47.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.111 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -97.86 120.39 38.16 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -54.85 142.59 28.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.21 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 p -112.35 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.205 1.002 . . . . 0.0 111.626 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -111.58 13.87 21.3 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.478 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -108.71 114.21 27.82 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.057 -1.428 . . . . 0.0 110.032 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 34' ' ' SER . 7.3 p -84.62 32.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.742 0.782 . . . . 0.0 110.981 -173.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.442 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 40.4 t 66.32 166.61 0.21 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.378 -177.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.57 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 12.2 p -123.55 10.19 9.09 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.822 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -84.51 116.74 23.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.017 -172.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.572 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 2.2 mmt -100.66 145.6 28.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.04 172.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.656 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 34.3 t-80 -115.56 123.36 48.28 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.94 124.44 47.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.416 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.571 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 19.8 ttt180 -118.92 113.3 20.81 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 171.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -113.46 104.89 12.73 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.086 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.82 100.13 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.154 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.21 -38.17 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.252 0.548 . . . . 0.0 109.911 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -56.42 -52.07 66.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.594 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.69 14.46 31.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -170.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 p -96.39 161.37 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.152 -0.343 . . . . 0.0 110.754 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -78.73 41.51 0.42 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.052 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.54 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 58.6 mt -86.48 147.96 45.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 16.7 Cg_exo -69.25 141.95 48.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.476 2.118 . . . . 0.0 111.477 173.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 78.2 Cg_exo -51.38 -38.63 63.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.407 2.738 . . . . 0.0 113.39 -177.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -53.6 -50.54 65.42 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.262 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -72.36 -31.82 65.94 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.274 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 93.0 mttt -63.99 -40.09 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.31 -46.91 88.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.664 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 13.9 mmt180 -64.91 -34.79 79.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -177.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' A' ' 95' ' ' ILE . 93.1 mt -66.75 -45.09 79.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.7 mt -70.13 -17.64 63.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.598 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.92 5.61 49.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.432 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.39 153.17 23.59 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 110.086 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' OD1' ' HB2' ' A' ' 107' ' ' HIS . 8.4 t-20 -96.77 16.11 20.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.631 0.729 . . . . 0.0 109.767 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -83.78 133.73 34.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.51 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.488 ' HB2' ' CE1' ' A' ' 107' ' ' HIS . 23.2 t -84.31 -3.6 58.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -86.44 -15.15 41.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.459 HG12 HD11 ' A' ' 70' ' ' ILE . 64.4 mt -81.03 108.24 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.637 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -76.16 156.87 33.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.269 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 m -61.88 -25.99 67.88 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -73.41 -14.96 61.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.44 42.32 7.95 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.467 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.1 t -124.0 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.816 0.341 . . . . 0.0 110.49 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.521 HG22 HD11 ' A' ' 72' ' ' LEU . 48.4 mm -102.51 115.49 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.017 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.21 126.13 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.08 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD11 HG22 ' A' ' 70' ' ' ILE . 3.0 mp -125.47 157.15 37.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.543 0.687 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.82 104.84 7.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.472 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -88.15 100.02 12.64 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.898 -178.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -146.66 76.21 1.42 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -140.92 -37.32 0.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.77 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.4 164.64 19.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.86 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -68.38 -40.08 81.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.726 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.6 p -113.57 151.74 31.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 111.522 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.57 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 50.6 mt-30 -61.23 -36.67 80.58 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.941 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.32 -50.77 72.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.272 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -66.53 -37.08 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.933 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.1 -40.31 97.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.274 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -62.49 -47.74 82.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.116 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.56 93.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.371 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 31.7 t70 -64.75 -49.51 70.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.371 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.01 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.784 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.66 -38.05 89.65 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.857 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.3 tp -69.77 -39.71 76.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.269 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 28.0 mtp180 -67.58 -39.16 84.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.083 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.76 -51.38 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.912 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 p -66.51 -42.9 86.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.442 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.29 -42.6 98.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.161 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.53 -42.25 82.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.728 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.511 ' HA ' HD21 ' A' ' 56' ' ' LEU . 67.0 mt -60.74 -43.8 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.01 -34.64 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.309 0.576 . . . . 0.0 110.195 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.435 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 2.4 t-20 -64.4 -41.95 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.48 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -35.27 68.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.004 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.445 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -70.61 -18.62 62.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.917 0.389 . . . . 0.0 111.038 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.699 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -95.38 -16.16 22.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 110.79 -178.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 87.1 mt -97.62 126.77 43.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.03 -173.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -123.28 69.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.846 0.832 . . . . 0.0 110.07 167.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -85.44 106.7 16.99 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -60.92 -77.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.944 -166.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -168.83 122.37 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.548 0.69 . . . . 0.0 112.232 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -140.85 31.86 1.81 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 62' ' ' SER . 6.3 t60 -70.18 151.72 45.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.86 -1.518 . . . . 0.0 111.328 -170.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.674 173.279 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 59.8 tp -86.39 96.41 10.0 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.64 110.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.752 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.0 mt -99.03 -41.63 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.382 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -153.26 -175.22 5.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.883 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.93 12.39 27.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.398 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.73 117.19 49.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.524 . . . . 0.0 110.357 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -141.09 138.91 33.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.429 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 66.1 mt -118.16 123.21 29.63 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.583 0.23 . . . . 0.0 110.742 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.482 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 32.3 Cg_exo -61.96 141.11 88.21 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.523 2.149 . . . . 0.0 111.362 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -55.96 -39.98 72.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.936 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -20.32 62.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.975 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 28.4 mt-10 -84.13 2.15 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 0.0 111.01 -177.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -118.19 114.15 44.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.452 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.629 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 29.4 tt0 -79.97 106.73 12.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.885 0.374 . . . . 0.0 110.034 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -95.09 108.56 20.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.45 167.53 16.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.28 146.61 46.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.545 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.5 mt -104.88 112.02 36.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -97.68 128.17 44.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.979 -176.495 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' HD3' ' A' ' 21' ' ' ARG . . . -58.86 139.27 56.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.203 -174.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -101.71 -175.82 2.96 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.966 178.376 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.87 -147.59 11.0 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.505 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.61 96.88 3.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.022 0.439 . . . . 0.0 110.477 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.64 -49.77 3.95 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.379 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.38 1.63 27.87 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.3 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -88.86 5.08 45.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.84 0.829 . . . . 0.0 110.187 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -114.41 -8.93 12.8 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.966 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 m -117.37 73.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.629 0.728 . . . . 0.0 111.447 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -96.26 16.71 17.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.84 0.828 . . . . 0.0 109.497 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -103.56 139.38 38.95 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.55 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 p -82.95 138.01 20.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.949 0.404 . . . . 0.0 110.034 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -91.31 153.54 19.86 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.745 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 p -84.82 -11.35 55.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.18 107.35 1.03 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.937 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.5 mmm -96.23 147.41 23.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.057 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -109.15 122.82 48.12 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.542 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 3.5 mm? -111.69 130.12 55.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.558 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 42.8 ttt180 -137.92 106.91 5.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.01 124.28 50.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -90.48 107.35 19.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.099 0.476 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' A' ' 56' ' ' LEU . 35.8 mt -78.04 -24.22 13.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.417 0.627 . . . . 0.0 110.037 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.24 -52.1 56.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.905 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.6 12.73 18.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 p -74.92 172.55 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.864 0.302 . . . . 0.0 111.186 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.93 16.19 1.25 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.89 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.549 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 52.1 mt -76.12 135.14 70.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.767 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 31.3 Cg_exo -60.4 147.45 94.01 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.72 2.28 . . . . 0.0 111.566 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.0 -33.14 33.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.485 2.79 . . . . 0.0 113.041 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.594 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 78.6 t80 -55.14 -53.19 59.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.767 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -67.78 -36.33 80.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.952 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.549 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 96.1 mttt -58.86 -51.64 69.14 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.948 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.35 -41.51 69.19 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 123.315 0.385 . . . . 0.0 111.934 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 7.0 mmm180 -58.03 -51.26 70.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 111.065 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' A' ' 43' ' ' ILE . 87.9 mt -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.836 -177.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.67 -22.5 65.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.072 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.02 14.06 31.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' HG ' ' H ' ' A' ' 61' ' ' ASP . 22.4 tp -86.92 144.71 26.84 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -91.78 15.22 13.34 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.622 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' ' 64' ' ' ILE . 10.8 t70 -70.17 132.16 45.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.414 -176.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 m -62.93 -19.21 64.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.424 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -83.07 -8.54 59.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.85 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' ' 61' ' ' ASP . 49.3 mm -93.54 120.67 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.929 177.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -94.08 160.5 14.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.637 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -70.03 -14.64 62.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.489 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.37 -14.05 59.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.054 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.85 28.49 15.63 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.07 136.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 tt -107.91 127.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.03 0.443 . . . . 0.0 109.809 174.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.81 133.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.489 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.8 mp -132.81 159.45 39.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 110.411 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -131.94 108.48 9.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.009 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.36 101.85 13.6 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.823 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -129.96 26.2 5.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.606 0.717 . . . . 0.0 109.428 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.36 -51.66 34.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.088 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -92.99 165.02 13.06 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.354 0.597 . . . . 0.0 112.578 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.467 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.3 p -105.34 163.27 12.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.565 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -75.57 -33.15 60.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.377 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.71 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.366 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.39 -39.5 85.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -36.42 83.16 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.713 0.292 . . . . 0.0 110.667 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -65.87 -52.53 49.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.026 0.441 . . . . 0.0 110.218 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.44 87.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.591 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.34 -51.49 51.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.91 87.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.701 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.32 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.684 0.278 . . . . 0.0 111.187 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.71 -46.62 52.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 90' ' ' ARG . 19.7 mtt180 -64.33 -35.03 79.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.392 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.15 -51.1 61.08 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.126 0.489 . . . . 0.0 110.922 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 p -62.62 -41.93 99.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.2 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.71 -40.93 97.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.195 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.03 -38.26 70.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 111.296 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.12 -44.05 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.745 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.96 -33.28 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.408 0.623 . . . . 0.0 110.113 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.69 -35.74 73.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.511 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.46 -23.73 67.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.07 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.49 -9.45 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -85.67 -20.41 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.339 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.38 -167.21 1.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.396 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -77.65 -164.72 0.53 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.126 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.494 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 43.3 m80 -53.41 -87.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.788 0.68 . . . . 0.0 112.101 -175.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 103' ' ' HIS . 49.2 p-80 168.99 37.1 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.893 0.477 . . . . 0.0 110.379 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -132.62 147.47 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.87 0.367 . . . . 0.0 111.374 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -179.15 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.896 174.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -132.62 -37.23 1.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.893 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.398 177.738 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.042 0.449 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.6 tp -96.95 99.81 11.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.296 0.57 . . . . 0.0 109.856 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -80.39 110.69 16.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.238 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.0 mt -88.1 -41.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.126 0.489 . . . . 0.0 110.043 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -154.82 175.5 13.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -61.33 -32.85 72.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -103.89 9.74 36.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.689 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -136.55 118.19 19.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.872 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 75.7 m-70 -132.2 136.02 46.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.933 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 80.4 mt -108.45 105.51 56.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.305 175.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 25.6 Cg_exo -64.17 141.8 77.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.991 2.461 . . . . 0.0 112.331 177.735 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.85 -41.62 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.641 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.73 67.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.598 -176.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 96.5 mt-10 -89.45 3.72 51.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.242 0.544 . . . . 0.0 111.106 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.0 mt -119.47 121.8 67.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.573 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 14.8 tp10 -99.43 109.05 21.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.878 0.371 . . . . 0.0 110.404 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.41 123.87 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.637 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -126.26 157.78 37.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.384 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.97 135.1 54.29 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 34' ' ' SER . 60.6 mt -98.19 103.42 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -103.31 122.94 45.84 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.503 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.49 145.46 27.4 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.019 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -102.76 154.88 18.73 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.293 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.84 -65.49 2.2 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.578 -176.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.13 174.32 0.21 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.21 0.604 . . . . 0.0 111.105 -177.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.0 -117.04 10.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.162 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -106.77 36.15 4.58 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.988 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? 72.48 126.92 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.713 0.805 . . . . 0.0 110.869 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 62.8 t30 -158.81 88.18 0.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.63 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -128.25 112.86 28.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.789 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -99.57 46.0 0.98 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.723 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 72.3 170.28 0.32 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.181 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.83 132.22 6.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 121.327 0.585 . . . . 0.0 111.23 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 20' ' ' ILE . 6.7 m -71.84 155.71 40.11 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.345 -177.136 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.521 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 17.9 p -103.83 12.3 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.709 -176.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 126.76 35.76 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.153 0.501 . . . . 0.0 110.421 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.7 mtp -106.99 152.8 23.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.756 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.637 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 46.7 t-80 -120.92 122.91 41.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.81 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . 8.9 mp -114.06 133.08 55.76 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.1 ttt180 -122.34 109.63 14.67 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.394 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.52 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 71.1 t80 -109.37 109.21 20.02 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.02 87.33 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.878 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 56.9 mt -56.37 -40.44 66.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.264 0.554 . . . . 0.0 110.197 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -56.49 -52.6 64.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.06 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.34 -22.2 35.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.409 -172.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -59.5 160.26 7.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.221 0.534 . . . . 0.0 112.001 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 t -81.29 14.3 2.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.597 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 60.9 mt -62.89 141.73 97.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.138 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.25 150.41 88.66 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.677 2.251 . . . . 0.0 111.88 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.8 -39.33 77.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.387 2.725 . . . . 0.0 113.006 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.18 -46.52 68.99 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.26 0.552 . . . . 0.0 111.119 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.08 -44.41 65.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 97.9 mttt -59.89 -53.33 59.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.631 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -55.5 -44.16 76.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -71.43 -31.65 67.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.465 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -73.31 -45.32 56.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.581 . . . . 0.0 110.667 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 89.8 mt -59.36 -40.11 85.41 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.19 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.22 31.16 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.092 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.9 tp -83.73 161.73 20.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.503 ' OD1' ' HA ' ' A' ' 106' ' ' HIS . 9.0 t30 -84.88 4.9 31.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.624 0.726 . . . . 0.0 110.242 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' HB2' ' A' ' 63' ' ' ARG . 7.3 t70 -84.92 117.97 24.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.229 -175.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m -76.31 0.29 19.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.173 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' HB2' ' OD1' ' A' ' 61' ' ' ASP . 17.0 mtm180 -92.57 -6.17 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.0 109.931 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.8 mt -98.8 115.11 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.184 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 p -76.9 154.43 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.267 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -74.19 0.26 14.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.426 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.26 -5.53 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.465 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' HA2' ' CD2' ' A' ' 57' ' ' LEU . . . 91.18 34.88 7.32 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.897 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.16 131.72 65.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.52 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 13.3 tt -104.24 129.19 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 110.052 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.6 t -118.94 132.12 69.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.562 ' HG ' ' HB2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -141.81 159.08 42.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.43 0.633 . . . . 0.0 111.383 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -127.48 105.57 8.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.54 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.67 102.67 15.42 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.009 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 25.52 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -72.69 -43.68 62.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.875 -176.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -92.41 174.34 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 tpt85 -74.83 -32.55 61.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 p -124.78 164.0 20.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.521 ' HG3' ' HA ' ' A' ' 35' ' ' SER . 50.1 mt-30 -63.78 -56.4 15.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.452 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.48 -33.85 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.651 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -76.19 -40.06 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.719 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -62.54 -29.41 70.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.445 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 84' ' ' ARG . 29.3 ttt180 -57.68 -55.11 39.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.407 176.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.61 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.954 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.94 -53.33 52.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.69 85.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.468 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -36.71 82.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -70.69 -44.16 67.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.537 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.9 -51.63 38.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 p -60.18 -44.28 95.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.98 -39.83 87.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.103 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.31 -46.47 88.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.74 -46.31 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 111.043 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 92' ' ' SER . 23.3 t -73.05 -36.04 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -69.02 -33.52 73.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.167 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.48 -23.62 66.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.22 -24.43 64.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.89 -11.57 58.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.196 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -82.01 103.84 11.94 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.151 0.501 . . . . 0.0 111.144 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -96.5 -35.61 11.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.195 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -68.5 92.35 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.89 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -110.63 103.66 12.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.495 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -153.09 -176.43 5.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 170.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.503 ' HA ' ' OD1' ' A' ' 60' ' ' ASN . 14.2 m80 -83.8 90.28 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.554 173.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -72.15 -28.81 63.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.383 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 32.4 p80 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 117.466 -1.254 . . . . 0.0 108.955 175.795 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.481 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 50.9 ttm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 55.3 tp -84.54 99.5 10.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -85.34 109.77 18.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.061 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -90.96 -41.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.038 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -153.85 -175.48 5.39 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -66.87 -42.96 84.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.17 8.42 43.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.95 118.24 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 110.506 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.481 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 84.9 m-70 -135.59 139.72 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.621 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.8 mt -117.12 116.41 37.68 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.72 0.295 . . . . 0.0 110.964 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 22.3 Cg_exo -65.33 145.0 82.43 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 123.05 2.5 . . . . 0.0 112.206 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.32 -38.27 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.187 0.518 . . . . 0.0 110.931 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -27.78 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.779 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -83.45 -2.47 55.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.365 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -117.19 115.25 48.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.952 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.593 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 20.6 tt0 -83.34 115.73 22.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.83 0.348 . . . . 0.0 110.953 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.23 108.35 18.93 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.468 ' OG1' ' HB3' ' A' ' 38' ' ' HIS . 7.3 p -126.77 156.58 40.99 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.362 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.49 135.71 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.233 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 38' ' ' HIS . 63.2 mt -106.74 112.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.383 . . . . 0.0 110.733 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -84.69 123.49 30.43 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.05 -171.29 2.13 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.899 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.43 136.2 49.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 0.0 110.6 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.66 -142.71 9.25 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 56.78 42.38 26.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 111.135 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.64 -150.89 12.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.918 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.31 -55.84 28.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.487 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -136.15 11.96 3.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.945 0.878 . . . . 0.0 109.29 172.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -84.6 100.74 11.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.611 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t 64.97 101.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.675 0.75 . . . . 0.0 110.672 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -100.95 14.45 31.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.595 -174.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -137.08 146.29 44.97 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.472 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.1 p -66.86 140.79 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.178 176.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -58.12 137.86 56.59 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.849 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 13.3 p -81.2 20.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.946 0.403 . . . . 0.0 111.635 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.47 110.53 18.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.545 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 84.6 mmm -97.13 150.61 20.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.054 175.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.535 ' HB2' HD11 ' A' ' 20' ' ' ILE . 57.8 t-80 -122.31 135.78 54.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.2 mp -123.63 143.66 50.1 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.53 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.593 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 7.7 tpt180 -135.86 127.82 29.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.638 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -144.34 102.01 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.317 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.82 103.26 5.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 56' ' ' LEU . 64.4 mt -58.98 -45.19 92.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.153 0.501 . . . . 0.0 110.159 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -57.86 -45.12 86.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.31 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.59 11.43 39.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -170.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 p -91.41 175.98 6.73 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.022 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m -85.97 16.33 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.982 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.589 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 67.4 mt -68.62 143.55 95.24 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.715 0.293 . . . . 0.0 111.049 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 27.9 Cg_exo -63.87 147.94 91.99 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.794 2.329 . . . . 0.0 112.02 175.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 76.8 Cg_exo -52.19 -39.67 70.91 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 -176.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -58.6 -45.53 88.94 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.006 0.431 . . . . 0.0 110.883 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.44 -45.17 95.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.462 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.589 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 98.9 mttt -64.41 -36.89 85.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.166 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.69 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 111.278 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -58.35 -34.8 71.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD13 HD13 ' A' ' 43' ' ' ILE . 77.4 mt -73.07 -46.35 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.407 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.8 mt -63.94 -21.82 66.65 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.797 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.38 30.49 7.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.93 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 60' ' ' ASN . 0.4 OUTLIER -90.37 155.5 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.793 178.663 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' H ' HD23 ' A' ' 59' ' ' LEU . 65.2 t30 -84.93 13.47 5.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.946 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.99 140.76 30.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.487 -175.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.4 m -100.07 -0.98 38.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.41 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -79.77 -36.88 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.503 HG12 HD11 ' A' ' 70' ' ' ILE . 79.8 mt -64.03 112.99 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.279 172.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.3 p -76.41 163.34 27.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.055 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.0 m -62.39 -25.94 68.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.82 -15.54 59.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.399 0.619 . . . . 0.0 110.695 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.36 46.97 4.8 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -175.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG11 ' CZ ' ' A' ' 40' ' ' ARG . 48.7 t -128.74 139.52 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.686 0.279 . . . . 0.0 111.427 -176.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.503 HD11 HG12 ' A' ' 64' ' ' ILE . 35.2 mm -105.65 127.96 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.982 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.44 132.45 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.7 mp -130.74 161.26 32.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.202 0.525 . . . . 0.0 111.13 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 37' ' ' MET . 18.2 ptpt -153.29 115.1 4.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.428 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.38 121.35 44.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.178 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.04 19.71 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.956 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -68.8 -58.89 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.905 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.94 170.04 16.77 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -76.47 -15.27 59.95 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.212 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.7 p -118.1 149.35 41.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.936 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 91.9 mt-30 -70.63 -31.87 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.3 -52.03 65.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.58 -34.94 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.03 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.98 -37.85 87.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.15 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.446 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 40.2 ttt180 -65.31 -52.14 56.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.383 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.41 90.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.485 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.12 -48.19 79.58 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.68 80.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.865 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.9 mt -63.67 -44.79 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.777 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 2.2 tm? -67.64 -43.98 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.418 0.627 . . . . 0.0 109.312 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -59.91 -40.73 89.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.049 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 95' ' ' ILE . 37.0 tp -66.97 -51.55 53.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.482 ' HB3' HD21 ' A' ' 2' ' ' LEU . 10.8 p -61.79 -40.79 96.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.906 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -58.43 -45.8 87.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.878 175.018 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.51 -40.09 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.864 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 91' ' ' LEU . 85.1 mt -58.78 -45.3 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.724 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.74 -44.67 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.18 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HB1' HD21 ' A' ' 56' ' ' LEU . . . -62.26 -33.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.791 -177.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.43 60.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -95.58 -25.73 16.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.975 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt -95.35 167.3 11.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.91 -173.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.509 ' HG2' ' HA ' ' A' ' 59' ' ' LEU . 6.6 tp10 63.75 89.87 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.618 175.015 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -151.13 136.36 17.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.785 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 64.16 18.57 11.33 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.239 0.542 . . . . 0.0 110.733 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.483 ' HB3' ' OE1' ' A' ' 102' ' ' GLU . 38.8 t-80 -133.69 -82.41 0.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.78 -177.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 56.21 104.16 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.691 0.796 . . . . 0.0 112.766 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -123.43 106.22 10.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.998 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 68.2 t60 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.442 -0.79 . . . . 0.0 109.968 176.872 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 48.2 ttm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.735 0.303 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp -118.45 116.17 26.14 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.656 0.741 . . . . 0.0 109.457 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.93 111.15 18.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.1 mt -85.95 -45.24 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.376 0.607 . . . . 0.0 109.542 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -146.44 -178.46 6.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.801 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -69.93 -33.13 71.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.125 0.488 . . . . 0.0 110.867 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -99.9 0.34 41.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.163 0.506 . . . . 0.0 110.802 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -129.06 117.84 45.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.289 0.566 . . . . 0.0 110.971 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.438 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 25.7 m-70 -134.21 123.45 24.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.506 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.4 mt -102.77 134.31 19.94 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.65 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 5.3 Cg_exo -80.46 139.22 12.75 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.388 2.726 . . . . 0.0 111.866 174.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.64 -39.79 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.657 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -28.35 62.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -86.24 0.77 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.275 0.56 . . . . 0.0 111.024 -174.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -118.94 108.66 24.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.777 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.4 tp10 -82.02 105.32 13.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.18 0.514 . . . . 0.0 110.787 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -96.66 109.1 21.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.529 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.616 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m -116.63 153.84 31.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.23 125.89 51.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.21 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -90.2 113.14 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.367 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -76.71 156.17 32.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.729 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.88 125.96 41.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.171 0.51 . . . . 0.0 111.55 -174.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 36.2 tt0 -119.21 137.31 53.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.911 176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.43 81.34 1.04 Allowed Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.817 -174.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 67.63 22.0 9.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.57 127.41 6.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.874 173.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.01 -25.38 6.89 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.382 -0.437 . . . . 0.0 113.951 171.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -119.87 116.03 25.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.831 0.348 . . . . 0.0 111.508 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -78.49 127.51 32.27 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 168.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.4 m -76.29 14.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -172.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.3 t30 64.81 14.9 9.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.895 0.855 . . . . 0.0 110.976 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -139.92 128.85 23.45 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.0 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.07 123.21 46.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.894 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m -74.12 167.16 22.12 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.172 0.511 . . . . 0.0 111.331 -178.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.6 p -83.98 5.56 25.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 106.31 1.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.484 0.659 . . . . 0.0 111.619 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.763 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 86.0 mmm -97.19 143.5 27.93 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.24 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.616 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 29.3 t-80 -108.35 119.32 39.16 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.903 175.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 2.7 mm? -107.77 121.83 45.52 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 -176.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 16.5 ttt180 -121.19 103.52 9.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.644 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.504 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 83.6 t80 -97.07 117.6 31.61 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.91 127.24 33.33 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.8 mt -103.87 -13.6 8.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-O 121.284 0.564 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.458 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.1 t-20 -88.28 -55.04 3.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.58 20.62 11.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.973 -173.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -91.4 160.39 15.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.933 0.397 . . . . 0.0 111.41 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -80.06 5.99 12.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.669 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 91.5 mt -58.66 131.33 85.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.999 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 52' ' ' TYR . 10.2 Cg_endo -54.4 150.98 31.67 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.064 2.51 . . . . 0.0 112.312 176.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 73.7 Cg_exo -50.25 -36.69 47.55 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.434 2.756 . . . . 0.0 112.973 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.487 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.2 t80 -57.31 -48.88 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.514 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 25.8 m-85 -70.74 -37.48 73.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.011 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 13.2 mmtm -50.91 -56.3 13.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 110.771 174.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.3 -47.39 86.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.739 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.592 ' NH2' ' HB3' ' A' ' 102' ' ' GLU . 27.7 mmm180 -61.51 -40.88 96.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.793 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.96 -44.71 79.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.594 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -65.13 -27.85 69.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.47 19.56 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 60' ' ' ASN . 14.2 tp -78.42 169.74 17.76 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 120.962 0.411 . . . . 0.0 110.206 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 4.7 t30 -93.13 10.46 31.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.373 0.606 . . . . 0.0 110.71 -177.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -93.33 118.78 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.8 m -76.22 -7.53 55.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.197 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -79.79 -15.93 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.255 0.55 . . . . 0.0 109.518 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.65 116.72 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.095 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 153.11 17.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.2 m -68.2 -11.19 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.02 -14.4 61.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.611 0.72 . . . . 0.0 109.917 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 44' ' ' ASN . . . 92.76 32.32 8.11 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.309 178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.411 HG13 ' HG3' ' A' ' 40' ' ' ARG . 47.7 t -134.57 134.11 54.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.674 0.273 . . . . 0.0 110.542 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.504 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 10.5 tt -115.22 124.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.8 t -108.61 132.65 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 4.2 mp -133.76 161.78 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.97 0.414 . . . . 0.0 110.404 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -127.6 114.18 17.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.366 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -96.9 101.44 13.02 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.497 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -138.82 13.28 2.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.548 0.689 . . . . 0.0 109.599 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -80.89 -41.7 22.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.377 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.39 171.58 9.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.924 0.392 . . . . 0.0 111.645 -177.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.74 -34.64 21.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.15 -173.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.7 p -106.44 152.38 23.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.943 0.401 . . . . 0.0 110.966 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.564 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 89.3 mt-30 -66.07 -34.58 78.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.291 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 37.8 tt0 -59.7 -47.05 87.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.54 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -65.52 -38.27 89.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.044 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 63.8 m-20 -65.61 -32.44 74.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.75 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 99.8 mtt180 -62.4 -52.91 61.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.986 0.422 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.39 98.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.241 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.81 -43.16 94.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.76 92.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.887 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.4 mt -65.16 -38.0 89.17 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.137 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.6 -53.15 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 95' ' ' ILE . 8.7 tp -60.94 -47.59 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.266 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -66.13 -38.29 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.468 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -59.22 -48.31 82.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.182 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.88 -44.39 86.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.639 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 91' ' ' LEU . 81.6 mt -63.79 -42.83 97.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.8 t -72.9 -41.16 60.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.138 0.494 . . . . 0.0 110.61 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 63.1 m-20 -65.25 -28.16 69.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.84 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -24.09 50.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.622 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.29 -20.75 25.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.877 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 97' ' ' ASN . 44.0 mtpt -95.36 -26.04 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.417 0.627 . . . . 0.0 111.113 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.9 mt -84.75 159.1 20.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.953 175.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HB3' ' NH2' ' A' ' 55' ' ' ARG . 0.6 OUTLIER 56.97 65.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.75 0.786 . . . . 0.0 108.977 -174.605 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -102.14 47.38 0.9 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.776 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.6 p80 -142.91 10.64 1.78 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.646 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 35.2 t60 51.78 52.49 14.45 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.67 176.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -59.56 -42.58 92.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.836 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -93.98 95.54 9.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 14.5 p80 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.327 -178.585 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.846 HD23 HD12 ' A' ' 10' ' ' LEU . 42.2 tp -86.32 94.46 9.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 109.754 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.54 113.21 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.404 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.54 -39.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 110.324 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 m -156.99 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.581 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.41 -52.5 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.735 0.302 . . . . 0.0 110.812 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -88.07 -0.04 56.57 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.318 0.58 . . . . 0.0 111.038 -174.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.39 116.46 47.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.335 0.588 . . . . 0.0 110.783 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 62.6 m-70 -139.55 142.15 37.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.846 HD12 HD23 ' A' ' 2' ' ' LEU . 78.2 mt -117.31 104.0 50.7 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.771 0.32 . . . . 0.0 110.183 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.78 141.94 97.75 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.266 2.644 . . . . 0.0 112.592 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -52.34 -40.24 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.041 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.03 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.615 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -84.86 1.95 44.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.006 0.431 . . . . 0.0 111.069 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -120.11 135.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.797 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 9.9 tp10 -100.96 108.97 20.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.773 0.321 . . . . 0.0 110.19 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 39' ' ' LEU . 6.3 mp -103.57 108.75 20.16 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.049 0.452 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.69 161.0 22.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.919 -176.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.72 145.57 28.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.51 106.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.411 . . . . 0.0 110.176 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -100.69 141.0 34.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.91 145.4 51.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.154 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -71.46 147.92 47.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.795 177.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.9 42.22 2.42 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.53 20.58 14.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.111 0.482 . . . . 0.0 110.657 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.06 53.6 0.77 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.22 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.71 -144.84 9.4 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.997 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.526 ' HG3' ' OD1' ' A' ' 29' ' ' ASN . 7.3 tp-100 -146.83 127.03 13.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -178.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.526 ' OD1' ' HG3' ' A' ' 28' ' ' GLN . 18.8 m120 70.69 26.33 3.89 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.257 0.623 . . . . 0.0 110.832 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.7 m -109.99 100.15 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.422 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -126.34 19.46 7.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -106.11 138.05 42.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.587 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.37 151.07 10.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.884 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -70.11 154.34 42.04 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.407 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 t -103.24 7.06 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.718 0.771 . . . . 0.0 109.701 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -75.35 119.06 18.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.215 -175.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.512 ' HE3' ' HB3' ' A' ' 80' ' ' GLN . 13.0 mmt -97.98 154.6 17.57 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.615 174.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -122.95 126.1 46.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.628 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 17' ' ' LEU . 7.2 mp -127.49 129.93 48.3 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 62.8 ttt180 -115.17 125.9 53.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 174.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.58 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 74.0 t80 -119.93 105.93 11.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.512 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.94 113.52 19.2 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.782 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 70.2 mt -74.96 -27.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.298 0.57 . . . . 0.0 110.497 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -73.04 -53.48 11.02 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.393 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.45 -1.46 58.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -81.04 170.0 16.77 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.722 -177.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 m -82.1 17.78 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.05 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.89 129.11 81.7 Favored Pre-proline 0 C--O 1.233 0.217 0 CA-C-N 116.686 -0.233 . . . . 0.0 110.83 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 43.0 Cg_exo -57.12 142.37 94.32 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.497 2.132 . . . . 0.0 111.16 176.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.498 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 96.6 Cg_exo -44.37 -50.2 8.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.693 2.928 . . . . 0.0 113.252 -174.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.16 -48.51 67.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.01 0.433 . . . . 0.0 111.44 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HD2' ' HB2' ' A' ' 49' ' ' PRO . 98.1 m-85 -74.73 -36.16 62.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.368 -176.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 40.2 ttmt -64.05 -43.7 94.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.655 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 10.5 mm-40 -62.03 -46.68 88.13 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.272 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -54.53 -44.05 72.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.633 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.43 -44.61 62.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.63 -38.28 90.53 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.245 0.545 . . . . 0.0 111.151 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.68 32.85 3.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.417 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 98' ' ' ALA . 13.2 tp -92.03 173.87 7.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.736 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -103.46 12.12 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.06 125.75 34.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.565 -174.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.7 m -81.7 -2.53 50.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.318 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -82.55 -17.89 43.35 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.489 0.661 . . . . 0.0 109.266 173.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 70' ' ' ILE . 60.8 mt -96.95 118.25 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.438 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -70.1 153.74 42.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.49 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m -66.36 -5.68 11.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.103 -174.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -101.94 -12.93 17.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.951 0.405 . . . . 0.0 110.816 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 36.72 5.42 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.115 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.5 130.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 50.1 mm -103.16 121.66 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.174 177.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -122.84 121.87 64.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.76 165.0 12.03 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.583 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -134.97 104.56 6.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.128 -1.396 . . . . 0.0 108.089 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -101.36 102.1 12.86 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -140.88 29.12 1.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 109.84 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.92 -26.03 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.641 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -111.06 165.63 11.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.628 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -64.16 -50.32 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.708 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -99.52 139.99 34.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.125 0.488 . . . . 0.0 112.279 -173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.512 ' HB3' ' HE3' ' A' ' 37' ' ' MET . 78.1 mt-30 -54.21 -40.91 68.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.847 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.37 -40.29 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.776 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -75.24 -32.49 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.335 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -61.64 -37.23 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.663 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HG3' ' HG3' ' A' ' 37' ' ' MET . 62.1 mtt180 -61.94 -39.57 92.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 110.899 175.26 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.12 72.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.987 0.422 . . . . 0.0 110.757 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.78 -48.25 78.31 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.398 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.563 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . . . -59.08 -38.04 78.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.625 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -40.32 83.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.894 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.47 -52.57 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.113 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.563 ' HD3' ' HA ' ' A' ' 87' ' ' ALA . 9.1 ptm180 -67.2 -27.71 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.944 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 6.0 tt -65.8 -50.41 64.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -65.71 -34.52 78.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.22 -50.67 73.12 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.59 -48.87 65.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.59 -51.05 70.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.914 -175.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.8 t -76.94 -38.84 29.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.015 0.436 . . . . 0.0 111.304 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.44 -46.75 53.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.897 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.619 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -75.6 -21.69 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.09 -3.52 30.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -91.73 -12.75 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.84 105.33 1.27 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.948 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.79 -21.43 13.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.596 174.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 74.4 m80 -93.1 150.09 20.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.533 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -116.25 165.6 12.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.951 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -93.49 113.62 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -63.99 100.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.263 0.352 . . . . 0.0 110.467 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.2 m80 61.15 -101.98 0.12 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.57 -176.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.853 -173.502 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.96 0.41 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 10' ' ' LEU . 47.9 tp -89.79 96.78 10.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.0 109.656 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -81.63 110.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.881 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.29 -45.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 109.565 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.527 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 32.8 t -136.0 177.45 7.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.98 -50.56 73.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.738 0.304 . . . . 0.0 110.951 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -103.05 10.09 38.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.441 0.639 . . . . 0.0 110.895 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 5' ' ' SER . 58.9 t -123.12 116.7 49.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.182 0.515 . . . . 0.0 109.821 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -134.19 144.2 48.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.741 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 2' ' ' LEU . 65.4 mt -109.66 117.63 52.1 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PRO . . . . . 0.78 ' HG2' ' HB2' ' A' ' 14' ' ' GLU . 10.3 Cg_endo -57.52 145.76 87.21 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.78 2.32 . . . . 0.0 112.004 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.05 -38.06 75.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.019 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.25 -6.11 49.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.122 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.78 ' HB2' ' HG2' ' A' ' 11' ' ' PRO . 20.3 tt0 -94.93 -0.86 53.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.851 0.834 . . . . 0.0 110.125 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.45 100.82 11.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.685 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.958 ' HG2' ' HE ' ' A' ' 40' ' ' ARG . 8.2 tp10 -87.5 101.8 13.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.501 -175.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.484 HD23 ' HG ' ' A' ' 39' ' ' LEU . 87.5 mt -108.6 110.36 21.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.703 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.618 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -111.31 157.26 20.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.956 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HA ' ' HE2' ' A' ' 37' ' ' MET . . . -107.73 122.45 46.77 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.2 mt -81.39 101.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 109.699 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -86.21 127.22 34.7 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.9 173.47 14.77 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.182 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.19 -169.45 2.32 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.811 179.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.42 -47.71 81.23 Favored Glycine 0 C--N 1.335 0.478 0 O-C-N 123.52 0.512 . . . . 0.0 113.614 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 55.76 38.92 30.67 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.94 0.4 . . . . 0.0 111.287 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.43 -26.06 5.55 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.67 112.84 4.88 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 63.8 tt0 -87.87 129.06 35.33 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -177.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.504 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 7.8 t30 79.52 -13.03 1.0 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.502 1.126 . . . . 0.0 110.556 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 m -117.58 90.86 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.796 0.808 . . . . 0.0 111.117 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -123.23 82.82 2.04 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 9.0 tppt? -116.82 143.48 45.63 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.679 -175.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.56 126.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.217 0.532 . . . . 0.0 109.839 176.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 m -57.27 136.35 56.51 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.822 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 8.7 p -83.16 11.05 6.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.217 177.393 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -76.64 120.04 21.27 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.016 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.528 ' HE2' ' HA ' ' A' ' 19' ' ' ALA . 4.0 mmt -95.43 140.97 29.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.465 175.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 16.4 t-80 -105.7 121.62 44.39 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.743 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.484 ' HG ' HD23 ' A' ' 17' ' ' LEU . 6.7 mp -120.57 140.77 51.02 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.994 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.958 ' HE ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 ptt180 -134.64 98.89 4.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.37 0.605 . . . . 0.0 110.16 173.021 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.2 t80 -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.49 111.73 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.078 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 56' ' ' LEU . 70.5 mt -69.29 -26.74 32.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.796 -176.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.91 -46.27 37.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 -175.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.89 -10.13 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 p -63.95 150.4 45.18 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -75.89 26.96 0.11 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.7 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.7 mt -88.73 142.17 30.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -63.89 155.17 65.61 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.449 2.099 . . . . 0.0 112.301 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.521 ' HA ' ' HB2' ' A' ' 53' ' ' LYS . 54.0 Cg_exo -53.14 -30.82 51.98 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.115 2.543 . . . . 0.0 112.098 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -49.76 -50.19 45.45 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.848 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -76.04 -39.18 56.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.787 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.7 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 94.2 mttt -60.24 -37.83 81.57 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 46.1 mt-10 -57.87 -49.42 76.77 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.287 0.565 . . . . 0.0 111.209 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 78.5 mtt85 -75.4 -23.94 57.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.335 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 43' ' ' ILE . 88.5 mt -71.04 -44.11 66.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 110.301 172.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.49 -47.06 83.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.397 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.91 33.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.465 -177.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.2 mt -76.98 160.91 28.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.605 0.717 . . . . 0.0 110.648 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -93.66 15.35 16.5 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HB3' HG12 ' A' ' 64' ' ' ILE . 11.2 t70 -97.73 153.6 18.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.849 -171.194 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.5 m -85.82 -13.4 48.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.598 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.982 0.42 . . . . 0.0 110.646 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.425 HD13 HD11 ' A' ' 70' ' ' ILE . 40.6 mm -71.11 106.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.985 177.152 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -96.23 165.11 12.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 m -72.15 -21.48 61.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.161 0.505 . . . . 0.0 109.957 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.559 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.93 42.62 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.562 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.46 131.04 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.978 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.596 HG22 HD11 ' A' ' 72' ' ' LEU . 30.7 mm -97.99 108.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.776 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.0 t -103.7 127.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.596 HD11 HG22 ' A' ' 70' ' ' ILE . 2.7 mp -125.16 156.4 38.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.51 0.672 . . . . 0.0 111.231 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.52 104.35 6.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.645 172.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.65 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -86.76 102.21 14.04 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.99 -175.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -122.84 20.03 10.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.544 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.4 tp60 -68.63 -56.34 8.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.037 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -87.51 164.68 16.0 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' A' ' 78' ' ' ARG . 17.1 tpt180 -90.07 -10.9 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.221 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.77 134.65 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.505 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 90.8 mt-30 -66.21 -44.35 84.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.19 -175.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 5.8 tp10 -64.35 -32.53 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.83 -36.5 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.642 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -60.36 -36.38 77.9 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.155 0.503 . . . . 0.0 110.07 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 14.8 ttt180 -52.81 -52.24 57.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.36 175.438 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.15 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.001 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.1 -47.94 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.188 0.518 . . . . 0.0 110.255 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.77 89.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.226 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 82.5 mt -62.0 -40.66 96.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.696 0.284 . . . . 0.0 110.866 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.84 -51.88 65.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 0.0 110.09 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -65.14 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.373 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.75 -51.49 62.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 110.112 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 p -62.44 -36.69 83.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.107 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 2.9 mm-40 -59.6 -47.79 84.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.411 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.58 -43.36 93.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.13 -49.42 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.919 0.39 . . . . 0.0 111.066 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.38 -41.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 8.9 t-20 -61.19 -37.87 84.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.933 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.3 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -88.23 -11.87 45.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.248 0.547 . . . . 0.0 111.115 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -96.39 -22.66 17.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.996 -173.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 101' ' ' LEU . 2.5 pp -64.27 113.61 3.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.109 0.957 . . . . 0.0 112.324 -174.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.16 -17.73 20.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.876 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -116.66 128.59 55.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.978 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -86.54 137.7 32.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.13 0.49 . . . . 0.0 110.7 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -96.1 -31.43 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.182 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -145.98 -42.13 0.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.72 -172.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -90.92 130.64 36.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.6 t60 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.779 -0.629 . . . . 0.0 110.52 -177.683 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.571 0.224 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.823 HD23 HD12 ' A' ' 10' ' ' LEU . 48.8 tp -88.04 96.74 10.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.363 0.601 . . . . 0.0 109.773 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.7 t -79.04 110.41 14.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.159 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -93.92 -35.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.401 0.62 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -153.37 -177.53 6.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.745 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -61.11 -40.29 93.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -116.09 16.42 16.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.243 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.27 118.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 109.871 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -137.22 143.19 42.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.587 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.823 HD12 HD23 ' A' ' 2' ' ' LEU . 40.6 mt -110.88 111.02 56.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.045 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.56 139.63 59.38 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 123.184 2.589 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -37.32 71.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.456 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.29 -24.45 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.477 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -83.3 0.62 44.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.126 0.489 . . . . 0.0 111.195 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.492 HG22 ' HG ' ' A' ' 17' ' ' LEU . 62.8 mt -106.75 116.41 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.894 -178.495 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 6.4 tp10 -93.86 101.38 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.858 176.231 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' HG ' HG22 ' A' ' 15' ' ' ILE . 84.6 mt -103.39 110.11 22.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.294 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.573 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.25 152.72 37.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.215 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 132.94 52.79 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -96.5 119.76 44.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 110.139 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.886 ' HA ' HG23 ' A' ' 33' ' ' VAL . 40.5 ptt180 -66.9 164.78 16.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.1 -162.57 0.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.011 -177.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -74.66 155.51 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.378 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.42 -120.94 2.92 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.644 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.16 -123.43 0.73 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.304 0.242 . . . . 0.0 110.968 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.01 -145.21 4.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.362 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.93 -59.12 4.77 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 67.17 4.81 3.82 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.86 0.838 . . . . 0.0 111.602 175.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -117.0 3.87 12.78 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.962 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.8 m -82.68 80.81 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.682 0.754 . . . . 0.0 110.961 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -112.5 14.33 20.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.355 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -126.79 147.3 50.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.235 -175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.886 HG23 ' HA ' ' A' ' 21' ' ' ARG . 14.8 p -93.65 151.88 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.163 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 t -81.75 174.77 11.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.5 p -83.9 -3.17 57.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.725 0.298 . . . . 0.0 111.037 -178.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . . . -61.67 107.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.612 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.0 mmm -97.71 148.3 23.48 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.367 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.573 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 23.9 t-80 -110.38 128.49 55.6 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.184 176.247 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.528 HD22 ' HB1' ' A' ' 87' ' ' ALA . 60.8 tp -121.71 125.45 46.64 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 20.5 ttt180 -124.01 118.34 26.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.055 170.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 58.4 t80 -110.87 113.45 26.03 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.096 0.474 . . . . 0.0 109.865 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.622 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 52.3 mt -66.74 -31.89 55.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.651 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.56 -53.4 58.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.773 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.3 5.43 47.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.44 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 157.39 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.963 0.411 . . . . 0.0 111.242 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -84.05 6.23 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.916 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD12 HG23 ' A' ' 43' ' ' ILE . 50.2 mt -54.71 138.07 62.65 Favored Pre-proline 0 C--O 1.235 0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.603 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.48 147.84 92.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.986 2.457 . . . . 0.0 112.024 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.4 -42.63 40.72 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.377 2.718 . . . . 0.0 113.165 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.39 -52.81 60.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.142 0.496 . . . . 0.0 111.509 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.415 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 87.9 m-85 -64.0 -40.76 97.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.152 -177.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.622 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.3 mttt -59.48 -47.13 86.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.885 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.08 -43.05 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.661 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.4 mmt180 -63.61 -42.88 98.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.737 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' HG21 ' A' ' 64' ' ' ILE . 92.9 mt -60.89 -46.91 88.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.44 -24.12 67.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.176 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.62 5.64 47.63 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 22.5 mt -72.65 156.93 38.46 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.098 0.475 . . . . 0.0 111.91 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -92.63 15.29 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.338 1.066 . . . . 0.0 108.917 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HB3' HG12 ' A' ' 64' ' ' ILE . 18.9 t70 -79.92 122.62 26.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.956 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 m -74.83 -10.95 59.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.117 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -85.14 -20.08 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.241 0.543 . . . . 0.0 109.809 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.509 HG21 ' O ' ' A' ' 56' ' ' LEU . 43.7 mm -80.26 127.57 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.013 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.7 p -100.53 154.54 18.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.263 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.7 m -69.44 -20.86 63.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.962 0.41 . . . . 0.0 110.685 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.57 -14.77 60.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.691 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.51 8.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.827 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.18 128.57 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.83 0.348 . . . . 0.0 110.822 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.652 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 49.9 mm -98.27 112.68 30.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.443 ' C ' HD12 ' A' ' 72' ' ' LEU . 25.3 t -123.47 117.89 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.04 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 71' ' ' VAL . 9.6 mp -128.59 174.55 9.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.15 0.5 . . . . 0.0 111.205 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -136.6 109.32 7.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.52 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.18 104.72 13.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.493 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -131.96 26.68 4.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.186 0.517 . . . . 0.0 110.25 176.327 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -62.06 -47.75 83.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.601 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.73 163.14 13.31 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -177.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -71.65 -38.26 70.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.284 176.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.8 p -92.56 133.6 35.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 97.6 mt-30 -65.79 -31.29 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.333 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.64 -43.05 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.31 -36.32 79.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.39 -32.78 74.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.63 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 86.7 mtt180 -63.39 -49.64 73.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.922 0.392 . . . . 0.0 109.971 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.14 95.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.223 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.16 0.505 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.528 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -60.22 -48.28 82.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 92.3 mt -63.85 -39.0 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.21 -50.7 72.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm105 -60.29 -34.94 74.46 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.334 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 95' ' ' ILE . 44.3 tp -62.36 -52.13 64.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.139 0.495 . . . . 0.0 110.554 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -63.96 -40.81 97.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.539 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -59.04 -47.88 83.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.464 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.7 -44.69 86.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.865 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.9 mt -57.7 -48.29 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.38 -38.16 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.425 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 21.7 m-80 -74.61 -43.79 53.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.969 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' A' ' 59' ' ' LEU . . . -63.29 -28.08 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.62 68.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.762 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.04 -19.73 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.264 0.554 . . . . 0.0 111.302 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 84.9 mt -76.79 114.98 16.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.913 -179.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -81.74 -64.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.735 178.71 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -132.63 -171.91 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 65.48 -165.71 0.23 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.513 0.508 . . . . 0.0 111.034 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 59.6 t-80 -128.79 -67.18 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.782 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 105' ' ' HIS . 13.6 m-70 68.38 141.96 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.861 0.725 . . . . 0.0 110.652 -172.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 64.19 179.55 0.17 Allowed 'General case' 0 C--O 1.238 0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.631 -0.7 . . . . 0.0 109.339 175.831 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.051 0.453 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 88' ' ' LEU . 3.2 mm? -92.51 105.31 17.51 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 -177.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -75.55 109.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.689 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.5 mm -94.57 -44.96 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -145.32 175.89 9.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.223 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.6 -28.29 66.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.51 . . . . 0.0 110.397 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -104.55 -1.51 26.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.321 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.97 119.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.096 0.474 . . . . 0.0 110.85 -176.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -132.64 145.13 50.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.202 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 2' ' ' LEU . 1.1 tt -108.27 105.46 56.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.6 146.2 72.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.875 2.383 . . . . 0.0 112.738 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.14 -38.81 74.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.83 -0.59 16.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.891 -1.049 . . . . 0.0 113.05 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -109.97 10.06 24.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.458 0.647 . . . . 0.0 110.855 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.76 122.76 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 171.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 35.4 tt0 -78.04 97.86 5.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.035 0.445 . . . . 0.0 111.11 -175.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -94.57 110.65 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.86 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.0 130.21 56.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.966 177.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.16 116.36 27.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.726 0.298 . . . . 0.0 111.292 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 38' ' ' HIS . 60.7 mt -94.39 115.22 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.047 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -95.5 178.03 5.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.246 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.95 140.38 35.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -87.61 132.51 34.05 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.418 0.628 . . . . 0.0 111.067 -176.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 61.32 3.87 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.03 -0.987 . . . . 0.0 111.61 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.33 103.06 5.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.771 0.32 . . . . 0.0 110.228 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.89 125.9 4.61 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.051 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.12 -52.92 4.7 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.344 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 64.66 15.38 9.68 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.453 0.701 . . . . 0.0 111.134 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -103.73 -8.12 20.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.388 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 m -85.43 64.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.68 . . . . 0.0 111.122 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -100.83 16.6 24.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.954 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.55 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -96.41 111.79 23.76 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.315 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.91 125.78 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.423 -171.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m -68.71 148.69 50.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.948 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -94.22 12.99 24.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.03 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -71.05 108.93 4.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.233 -175.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.535 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 53.5 mtp -100.03 130.03 46.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.142 0.496 . . . . 0.0 110.199 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.516 ' HB2' HD11 ' A' ' 20' ' ' ILE . 32.8 t-80 -95.78 122.04 38.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.013 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 8.3 mp -115.52 118.68 33.83 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.711 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.3 ttt180 -110.78 113.3 25.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.285 172.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -110.2 105.84 15.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.181 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.08 93.12 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.539 HD13 HD13 ' A' ' 56' ' ' LEU . 59.8 mt -58.9 -37.81 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.884 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.99 -48.78 80.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.927 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.85 18.71 13.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.086 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -87.35 158.17 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.82 0.343 . . . . 0.0 110.645 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 13.96 8.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.244 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.09 137.03 96.9 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.356 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.73 149.33 14.25 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 123.564 2.843 . . . . 0.0 113.437 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.03 -36.79 45.74 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.737 2.958 . . . . 0.0 113.385 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -53.29 -47.29 69.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.201 0.524 . . . . 0.0 110.642 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.95 -37.75 69.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 20.6 mmtm -53.62 -55.4 26.17 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.56 -49.24 76.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.542 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -44.31 80.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.796 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 64' ' ' ILE . 86.5 mt -73.34 -47.63 40.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.377 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 3.0 tt -53.3 -39.83 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.329 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.89 35.58 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 64' ' ' ILE . 19.1 tp -81.27 163.81 22.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.098 0.475 . . . . 0.0 110.796 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -90.92 9.95 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.652 0.739 . . . . 0.0 109.683 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -74.56 151.5 39.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.06 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -106.21 1.02 25.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.829 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 63' ' ' ARG . 1.9 mmp_? -107.12 -44.04 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 94' ' ' LEU . 68.0 mt -71.35 117.68 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.303 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p -89.78 157.63 17.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.001 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 p -65.98 -8.26 21.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.116 0.484 . . . . 0.0 111.522 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.9 -24.5 48.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 0.0 110.087 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.5 9.09 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.57 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.51 128.04 72.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 64' ' ' ILE . 38.2 mm -125.26 128.72 72.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.329 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.07 130.65 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.448 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.83 166.99 22.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -143.99 110.02 5.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.798 0.808 . . . . 0.0 109.667 169.46 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -88.43 108.98 19.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.867 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 20.97 2.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.083 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -77.91 -33.28 51.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.701 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -102.07 162.46 12.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -74.63 -42.97 57.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 p -84.35 127.86 34.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.236 0.541 . . . . 0.0 111.373 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -65.55 -30.97 71.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.405 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.57 -47.74 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.16 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.01 -30.49 62.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.33 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -57.49 -40.61 79.0 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.185 171.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.409 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 75.6 ttt180 -59.3 -55.44 34.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.354 0.597 . . . . 0.0 110.145 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.092 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.04 -50.93 70.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.204 0.526 . . . . 0.0 110.771 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.41 96.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.197 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.764 ' HB3' HD11 ' A' ' 2' ' ' LEU . 88.5 mt -64.92 -37.9 89.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -48.4 76.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.869 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 1.5 mpt_? -61.97 -38.24 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.115 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.54 -47.34 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -62.42 -41.82 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.94 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.13 -43.13 99.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.776 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 64' ' ' ILE . 3.3 tm? -59.73 -40.26 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.758 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.84 -45.14 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.84 -34.52 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.133 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.466 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 4.0 t-20 -55.65 -53.2 59.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.742 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.09 -25.42 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.642 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.21 -24.33 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -87.24 -25.83 23.8 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' A' ' 104' ' ' HIS . 97.2 mt -87.0 156.62 19.69 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.979 -173.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -109.87 -43.24 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.043 170.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -147.58 127.42 13.51 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.775 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.534 ' HB2' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -166.54 127.14 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -75.15 -39.52 60.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.259 0.349 . . . . 0.0 111.186 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 55.64 37.71 29.23 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.847 0.832 . . . . 0.0 109.851 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -92.05 135.53 33.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.555 -170.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.237 171.943 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 43.6 ttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.748 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 43.9 tp -99.81 101.3 12.4 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.309 0.576 . . . . 0.0 109.548 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.61 117.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.59 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.35 -53.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.386 0.613 . . . . 0.0 109.621 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.557 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 37.0 m -124.35 179.94 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.611 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.88 -36.74 64.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.293 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -102.69 4.51 38.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.447 0.642 . . . . 0.0 110.427 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 83.8 t -124.37 118.02 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.23 0.538 . . . . 0.0 109.717 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 36.6 m80 -130.0 141.11 50.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.755 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.748 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 93.6 mt -103.64 108.19 58.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.866 0.365 . . . . 0.0 110.383 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.16 141.51 98.13 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.902 2.401 . . . . 0.0 111.755 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.65 -35.06 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.528 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.38 -26.37 66.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.574 ' OE2' ' HA ' ' A' ' 46' ' ' SER . 24.5 mt-10 -90.13 3.98 51.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.182 0.515 . . . . 0.0 110.724 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.1 mt -117.88 114.84 46.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.91 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 83.0 tt0 -93.02 98.57 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.046 0.451 . . . . 0.0 110.766 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -95.87 118.53 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.966 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.22 162.36 18.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.82 129.94 46.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 59.5 mt -92.21 118.32 37.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.269 0.557 . . . . 0.0 110.653 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? . . . . . 0 C--N 1.322 -0.608 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.27 175.568 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 m . . . . . 0 N--CA 1.444 -0.764 0 CA-C-O 120.854 0.359 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -84.24 12.01 7.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.314 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -79.62 113.08 17.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.312 0.577 . . . . 0.0 111.06 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.6 tpt -98.02 163.49 12.74 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -138.02 134.63 35.04 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.336 0.589 . . . . 0.0 110.572 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.493 HD22 ' HB1' ' A' ' 87' ' ' ALA . 57.2 tp -120.5 129.86 54.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.824 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 71.2 ttt-85 -139.58 109.59 6.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.252 0.549 . . . . 0.0 110.141 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.566 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 88.1 t80 -116.15 113.66 23.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.843 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.54 93.73 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.617 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 39.1 mt -62.42 -32.72 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.522 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.51 -24.73 22.86 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -172.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.574 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 12.7 p -64.93 164.99 11.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.326 0.584 . . . . 0.0 112.197 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 p -83.81 15.12 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.19 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.443 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 32.7 mt -58.91 133.52 87.0 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.295 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 150.22 75.5 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.775 2.316 . . . . 0.0 111.654 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -48.63 -37.0 33.67 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.256 2.637 . . . . 0.0 112.708 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.556 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 92.3 t80 -56.26 -55.05 38.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.12 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -64.31 -38.73 92.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 95.4 mttt -60.02 -45.85 91.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.008 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.16 -39.68 86.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.583 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 12.3 mmm180 -60.54 -42.37 96.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.734 0.302 . . . . 0.0 110.975 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 94.5 mt -73.34 -47.46 42.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.431 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.3 -40.91 92.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.29 27.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.583 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -82.86 163.52 21.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 110.622 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 16.0 20.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.709 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.86 144.47 27.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.303 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -89.33 1.11 56.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.116 -176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -93.69 6.77 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.519 0.676 . . . . 0.0 109.69 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mm -97.83 130.96 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.206 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.6 p -102.56 156.63 17.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -65.15 -25.63 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.678 0.275 . . . . 0.0 111.349 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -84.12 -9.0 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.971 0.415 . . . . 0.0 111.059 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.98 3.09 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.286 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.0 t -132.84 128.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 47.0 mm -86.33 112.93 23.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 40' ' ' ARG . 23.6 t -124.63 118.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.633 0.254 . . . . 0.0 110.505 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -140.03 169.52 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 0.0 110.047 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -141.24 110.31 6.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.835 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . . . -92.27 102.48 14.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.013 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.13 23.44 11.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.007 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -85.51 -57.52 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.002 -172.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.11 164.1 25.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.811 -172.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 3.4 tmt_? -68.01 -32.62 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.327 -175.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' A' ' 82' ' ' GLN . 16.2 p -117.1 143.44 45.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -62.19 -25.14 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.77 -49.67 76.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.408 . . . . 0.0 110.85 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.434 ' HG2' ' OG1' ' A' ' 79' ' ' THR . 84.6 mm-40 -68.12 -36.71 80.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.325 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 62.7 m-80 -68.81 -30.34 68.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.26 177.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 57.9 ttt180 -62.99 -49.98 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.403 175.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.17 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.914 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 28.7 t70 -57.34 -53.27 60.04 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.206 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.493 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -55.57 -41.77 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.976 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 88.2 mt -66.49 -43.2 86.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.69 0.281 . . . . 0.0 111.187 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 89' ' ' LEU . 1.9 tm? -69.13 -38.39 78.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.459 0.647 . . . . 0.0 109.421 177.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 11.7 ttt180 -60.97 -45.11 96.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.375 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 95' ' ' ILE . 55.9 tp -62.68 -52.08 64.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.973 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 p -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.49 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 1.8 tm-20 -59.5 -47.45 85.47 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.2 -43.1 96.21 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.544 ' HA ' HD21 ' A' ' 56' ' ' LEU . 75.5 mt -63.12 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.6 -34.98 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.982 0.42 . . . . 0.0 110.376 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.884 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 9.9 t-20 -56.31 -49.31 74.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.431 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 59' ' ' LEU . . . -64.68 -23.35 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.652 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.54 -38.25 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.884 ' HE2' ' HA ' ' A' ' 97' ' ' ASN . 56.9 pttt -81.33 -21.68 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 112.014 -174.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.3 mt . . . . . 0 C--N 1.315 -0.915 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.305 175.233 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 ttm . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.08 0.467 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.666 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 51.1 tp -89.54 102.95 15.63 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.277 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.46 110.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.31 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 69.6 mt -95.75 -65.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 171.74 7.22 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -65.12 -38.98 92.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.223 0.535 . . . . 0.0 110.415 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -97.14 3.4 51.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.751 -175.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.08 118.95 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 0.0 110.56 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -127.46 144.12 51.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.674 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.666 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 63.3 mt -108.81 105.05 56.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.751 0.31 . . . . 0.0 110.775 176.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.4 146.27 97.03 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 111.592 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.28 -32.44 64.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.75 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.86 70.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.211 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.14 7.26 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 110.896 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.22 114.82 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.749 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 12.4 tp10 -90.46 102.34 15.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.327 0.584 . . . . 0.0 110.655 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.764 HD21 HD21 ' A' ' 88' ' ' LEU . 83.9 mt -102.05 110.18 22.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.949 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.59 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.76 149.16 42.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.304 178.365 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.43 147.75 30.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.792 0.329 . . . . 0.0 110.379 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 38' ' ' HIS . 13.6 mt -126.92 164.99 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 . . . . . 0 C--N 1.316 -0.854 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.426 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 N--CA 1.444 -0.744 0 CA-C-O 120.69 0.281 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.511 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 11.7 p -67.17 -72.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.278 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.34 82.47 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.237 0 O-C-N 124.033 0.833 . . . . 0.0 111.96 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 79.7 mtp -110.9 149.24 30.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.262 0.553 . . . . 0.0 111.109 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 17.7 t-80 -96.57 117.37 30.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.368 174.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.71 118.68 37.31 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.328 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 44.9 ttt180 -126.19 123.75 38.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.202 0.525 . . . . 0.0 110.842 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.536 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.7 t80 -132.84 104.49 6.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.295 175.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.39 89.8 4.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.567 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 54.5 mt -56.45 -41.36 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.29 0.567 . . . . 0.0 110.056 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -54.54 -48.34 72.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.062 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.52 -23.79 27.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.41 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.1 p -63.72 155.83 28.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.242 0.544 . . . . 0.0 111.496 -176.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.7 17.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.983 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.528 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 64.1 mt -62.1 142.22 95.59 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-O 120.599 0.238 . . . . 0.0 110.446 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 139.81 90.0 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.399 2.066 . . . . 0.0 111.394 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.84 -31.41 42.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.253 2.635 . . . . 0.0 112.49 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.607 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 88.9 t80 -54.03 -51.87 62.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -65.9 -37.62 86.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.567 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 99.2 mttt -60.58 -44.66 95.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.1 -46.23 91.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.752 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 6.9 mmm180 -59.22 -47.34 85.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 91.8 mt -64.98 -44.27 89.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.283 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.12 -42.27 98.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.497 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.44 21.08 1.53 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.868 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.543 HD21 ' HB1' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -80.45 163.97 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.025 0.44 . . . . 0.0 109.894 178.48 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.466 ' H ' HD13 ' A' ' 59' ' ' LEU . 9.1 t30 -90.28 13.52 15.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.62 0.724 . . . . 0.0 110.401 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -96.02 141.61 29.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.315 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -104.63 6.04 34.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.133 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HD2' ' H ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -97.08 -31.66 12.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.49 109.1 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.092 168.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -68.66 152.16 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -2.83 35.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.14 -12.91 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.22 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.69 47.47 6.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.065 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.7 t -130.22 123.92 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 36.2 mm -97.33 112.48 29.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.0 t -134.52 111.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.19 0.519 . . . . 0.0 110.487 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -134.67 168.97 18.04 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.63 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' MET . 61.0 mttp -128.62 107.14 9.45 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.55 116.79 31.56 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.707 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -123.2 26.41 8.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.405 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -72.72 -44.83 61.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.57 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.613 ' HD1' ' H ' ' A' ' 79' ' ' THR . 6.0 t80 -92.95 159.06 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.753 0.311 . . . . 0.0 110.462 -177.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' C ' ' HD3' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -70.38 -45.27 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.197 -178.439 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.613 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 5.4 p -97.99 149.9 21.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.649 0.262 . . . . 0.0 110.963 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.3 mt-30 -70.95 -48.95 50.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -175.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -37.41 85.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -176.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.7 -32.89 62.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.754 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.604 ' HB2' ' HB3' ' A' ' 77' ' ' TYR . 9.1 t30 -69.7 -37.59 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -54.49 -56.71 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.827 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.02 75.22 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.391 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.75 -50.99 68.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.589 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.69 -43.57 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.28 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.764 HD21 HD21 ' A' ' 17' ' ' LEU . 89.1 mt -63.86 -44.4 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.88 -41.41 87.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.286 0.565 . . . . 0.0 110.087 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.88 -42.02 98.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.16 -50.98 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.577 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.427 ' HB2' HD21 ' A' ' 2' ' ' LEU . 28.1 t -56.37 -43.27 79.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.78 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.28 -51.48 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.934 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.22 -46.32 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.57 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -52.49 46.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.583 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -73.79 -43.38 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.174 0.511 . . . . 0.0 111.138 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.51 -44.16 95.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.67 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -74.8 -15.58 60.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.553 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.03 -31.15 70.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.709 0.29 . . . . 0.0 111.421 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -11.16 37.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.621 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 98' ' ' ALA . 79.7 mt . . . . . 0 C--N 1.32 -0.706 0 CA-C-O 121.086 0.469 . . . . 0.0 111.991 -173.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 47.3 tp -103.9 104.49 14.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.519 . . . . 0.0 109.845 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -75.16 115.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.597 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.04 -53.64 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.13 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -141.48 -175.73 4.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.343 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -59.89 -44.25 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.812 0.339 . . . . 0.0 111.539 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -112.07 15.8 20.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.068 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -124.25 118.34 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.246 0.546 . . . . 0.0 110.034 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -132.71 144.14 50.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.043 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.657 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 88.0 mt -110.86 108.21 57.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.02 143.56 79.18 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.945 2.43 . . . . 0.0 111.801 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.9 -32.32 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.286 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.25 67.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.196 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -92.83 4.74 53.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.844 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -115.07 118.08 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.393 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 17.1 tp10 -99.12 97.13 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 0.0 110.635 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.41 HD13 ' CG ' ' A' ' 84' ' ' ARG . 57.6 mt -110.74 109.29 19.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.864 175.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -105.47 153.06 22.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.325 -176.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.12 116.99 32.89 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 38' ' ' HIS . 64.5 mt -96.47 125.23 49.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.072 0.463 . . . . 0.0 110.624 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 . . . . . 0 C--N 1.32 -0.702 0 CA-C-O 121.115 0.483 . . . . 0.0 110.786 174.154 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.954 0.407 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.581 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.9 t -108.05 -1.76 20.19 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.7 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -77.78 111.81 13.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.269 -175.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.9 mtp -100.82 148.68 24.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.605 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 25.8 t-80 -99.73 128.88 45.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.592 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.557 HD22 ' HB1' ' A' ' 87' ' ' ALA . 41.2 tp -113.03 123.92 51.43 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.012 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 44.9 ttt180 -127.49 120.23 27.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.596 168.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.609 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 78.4 t80 -129.13 105.94 8.51 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.63 99.35 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.428 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.611 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 72.5 mt -62.46 -36.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.25 0.547 . . . . 0.0 109.73 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.73 -46.22 89.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.417 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.92 -10.55 36.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -169.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 p -78.24 171.8 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.217 0.532 . . . . 0.0 112.282 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 7.69 2.88 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.706 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.717 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.5 mt -65.03 134.35 96.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.717 0.294 . . . . 0.0 110.98 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 38.8 Cg_exo -62.61 150.29 88.27 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.54 2.16 . . . . 0.0 111.543 172.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.46 -32.03 41.27 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.147 2.565 . . . . 0.0 112.715 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -49.32 -50.91 37.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.187 0.518 . . . . 0.0 111.343 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.411 ' CD2' ' HD2' ' A' ' 49' ' ' PRO . 97.3 m-85 -73.93 -41.09 62.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.844 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.717 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.3 mttt -62.21 -40.71 96.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.682 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -58.84 -46.8 86.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 111.332 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.551 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . 35.4 mmt180 -66.06 -46.74 76.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 43' ' ' ILE . 84.3 mt -63.25 -44.49 95.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.801 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 1.3 tt -60.68 -40.03 90.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 0.0 110.605 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.98 26.61 6.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.858 -175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.518 HD13 ' H ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -89.6 157.74 17.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.372 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.518 ' H ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -99.29 15.55 25.82 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.96 135.27 50.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.004 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -84.06 4.93 27.9 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.38 -172.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.597 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.1 mmp_? -103.95 -11.87 17.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.306 0.575 . . . . 0.0 109.92 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 70' ' ' ILE . 52.2 mt -98.61 112.5 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.517 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.2 p -82.73 165.06 20.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.217 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -73.06 4.96 3.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 0.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.9 -19.05 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.304 0.573 . . . . 0.0 109.6 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 22.21 46.73 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.092 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.65 139.03 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 110.673 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 46.6 mm -80.94 123.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.807 174.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.405 ' C ' HD12 ' A' ' 72' ' ' LEU . 24.0 t -127.58 116.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 63' ' ' ARG . 5.8 mp -143.93 173.57 11.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.585 0.707 . . . . 0.0 111.767 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -132.74 110.37 10.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.091 -1.413 . . . . 0.0 108.473 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -84.94 101.55 12.44 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -136.67 19.88 3.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.284 0.564 . . . . 0.0 110.259 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -81.43 -41.77 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.402 ' HD2' ' H ' ' A' ' 79' ' ' THR . 2.1 t80 -93.75 162.49 13.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -174.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -65.72 -35.76 81.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.931 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.402 ' H ' ' HD2' ' A' ' 77' ' ' TYR . 28.4 p -110.03 145.65 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.772 0.32 . . . . 0.0 111.561 -176.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.581 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 43.5 mt-30 -60.86 -40.05 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.788 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -59.44 -45.29 92.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.463 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -74.69 -31.81 62.0 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.969 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -62.34 -44.07 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.025 0.44 . . . . 0.0 109.87 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' CG ' HD13 ' A' ' 17' ' ' LEU . 32.5 ttt180 -55.79 -51.49 67.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.506 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.33 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.761 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -69.09 -46.88 66.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.59 . . . . 0.0 110.046 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.557 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -59.12 -42.36 90.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.449 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.65 -31.17 72.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.218 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.91 -54.27 44.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 95' ' ' ILE . 2.9 tm? -56.5 -51.99 66.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.547 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.554 ' HB2' HD21 ' A' ' 2' ' ' LEU . 22.9 t -69.09 -37.16 78.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.249 -176.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 4.6 mm-40 -70.09 -47.23 62.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.449 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -60.44 -39.31 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -176.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 91' ' ' LEU . 55.6 mt -54.89 -50.23 63.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 0.0 111.116 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.543 HG12 ' HE3' ' A' ' 100' ' ' LYS . 40.1 t -76.15 -34.31 26.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.535 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 3.1 t-20 -64.26 -35.58 81.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.899 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 55' ' ' ARG . . . -61.01 -21.51 63.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.777 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.43 -18.65 58.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.377 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.543 ' HE3' HG12 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -89.53 -25.35 21.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 109.942 178.081 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.9 mt . . . . . 0 N--CA 1.441 -0.896 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.725 -175.957 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 49.3 ttm . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.611 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.1 tp -97.08 95.38 7.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.15 116.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.242 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -91.71 -52.94 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -148.76 -166.27 2.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.349 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.81 -52.16 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.417 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -108.89 13.34 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -172.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -124.91 117.45 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.356 0.598 . . . . 0.0 110.185 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 43.9 m80 -133.93 133.28 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.014 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 89.2 mt -109.04 112.92 59.69 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-O 120.686 0.279 . . . . 0.0 110.628 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 27.2 Cg_exo -61.98 142.01 91.32 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.624 2.216 . . . . 0.0 111.171 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -55.15 -39.02 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.531 0.682 . . . . 0.0 110.703 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -11.7 57.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.348 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 23.4 mt-10 -86.81 -5.4 59.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.48 0.657 . . . . 0.0 110.167 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -108.88 111.73 37.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.303 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.6 tp10 -86.52 104.06 15.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 -178.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -96.38 110.47 22.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 3.7 m -115.44 155.05 28.15 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.39 132.43 53.96 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.377 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -115.03 119.46 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.847 0.356 . . . . 0.0 110.576 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.643 176.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.3 t . . . . . 0 N--CA 1.448 -0.53 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.554 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.0 p -97.23 2.89 51.44 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.024 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.96 105.84 2.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.004 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 88.9 mmm -96.34 141.9 29.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.423 177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 57.3 t-80 -105.62 116.56 32.15 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.337 0.589 . . . . 0.0 109.413 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.752 HD23 HD21 ' A' ' 72' ' ' LEU . 62.3 tp -100.66 120.35 39.93 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.137 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 39.2 ttt180 -118.09 109.9 16.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.572 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -112.19 108.71 18.05 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.78 97.31 2.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.175 0.512 . . . . 0.0 111.316 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 56' ' ' LEU . 58.5 mt -54.63 -39.88 48.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.747 . . . . 0.0 109.579 173.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -66.18 -57.29 7.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.721 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.35 -20.97 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -63.28 155.72 27.71 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.181 0.515 . . . . 0.0 112.234 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -75.41 8.26 2.93 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.744 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.501 ' HG ' HD21 ' A' ' 10' ' ' LEU . 68.2 mt -65.6 137.65 96.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.817 177.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 52' ' ' TYR . 10.0 Cg_endo -54.38 153.25 23.18 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.195 2.597 . . . . 0.0 112.728 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 50.8 Cg_exo -54.86 -34.7 86.57 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.143 2.562 . . . . 0.0 112.29 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -54.02 -46.59 71.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.968 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 19.5 m-85 -71.23 -37.81 71.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.951 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -58.0 -44.5 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.043 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -57.08 -47.77 80.22 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.331 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -57.87 -48.75 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.595 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 43' ' ' ILE . 97.4 mt -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -178.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.29 -34.06 77.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.022 0.439 . . . . 0.0 111.928 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.97 18.88 5.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 2.6 tp -79.2 156.94 27.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.361 0.6 . . . . 0.0 109.383 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.41 16.51 19.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.227 -177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.48 133.71 47.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.53 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.2 m -78.55 -2.55 39.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.03 -174.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -81.74 -6.46 59.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.304 0.573 . . . . 0.0 109.83 173.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.2 mm -85.13 114.19 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.143 172.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.9 p -99.53 153.06 19.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 m -65.36 -16.13 63.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.187 0.517 . . . . 0.0 111.041 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.99 -9.01 57.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.326 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 46.46 30.2 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 63.2 t -135.61 135.27 51.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 111.119 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 38.9 mm -85.21 117.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.22 122.65 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.598 0.713 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.752 HD21 HD23 ' A' ' 39' ' ' LEU . 1.8 pt? -154.06 175.51 13.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.962 176.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.57 116.32 12.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.502 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 106.87 18.77 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.575 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.16 22.12 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.289 0.566 . . . . 0.0 110.101 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.42 -52.2 59.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.065 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -95.99 171.29 8.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -71.81 -42.71 66.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.843 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 p -99.62 156.84 16.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.951 0.405 . . . . 0.0 111.154 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 51.1 mt-30 -70.28 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.86 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -62.95 -29.5 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.224 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -70.99 -47.13 60.61 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.544 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 92.8 m-20 -66.63 -28.77 68.75 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.357 0.598 . . . . 0.0 110.305 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 39.3 ttt180 -54.59 -53.17 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.05 172.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.2 72.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.097 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 30.9 t70 -56.55 -53.73 54.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.671 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.564 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -57.4 -42.43 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.504 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.22 -41.9 93.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.007 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.6 -49.47 73.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.017 0.437 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -64.84 -29.71 70.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.39 -51.77 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.8 p -62.02 -37.12 83.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -64.5 -40.7 96.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.019 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.77 -44.37 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.972 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.8 t -74.65 -36.86 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.096 0.475 . . . . 0.0 110.508 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.84 -45.43 94.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.16 -17.1 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.61 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.0 -30.21 35.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.808 0.337 . . . . 0.0 110.544 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -91.81 -25.87 18.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.306 0.574 . . . . 0.0 110.847 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.1 mt . . . . . 0 C--N 1.317 -0.839 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.351 -175.536 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.1 ttp . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.798 0.332 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.567 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.0 tp -83.93 97.62 9.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.435 0.636 . . . . 0.0 109.85 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.86 109.55 15.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.108 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.62 -41.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.964 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 t -146.08 175.54 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.115 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.02 -30.63 71.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.363 0.602 . . . . 0.0 110.297 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -111.69 7.62 20.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.251 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -128.03 117.78 46.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.188 0.518 . . . . 0.0 110.135 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -136.9 134.19 36.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.933 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 70.9 mt -114.97 108.67 48.11 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.422 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.787 ' HG2' ' HG3' ' A' ' 14' ' ' GLU . 17.9 Cg_endo -64.52 146.51 89.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.293 1.995 . . . . 0.0 111.846 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.39 -34.14 68.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.806 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.96 64.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.876 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.787 ' HG3' ' HG2' ' A' ' 11' ' ' PRO . 39.5 mt-10 -85.3 -0.62 55.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.159 0.504 . . . . 0.0 111.575 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -109.65 115.64 50.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.525 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.0 tp10 -85.45 91.87 8.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.278 0.561 . . . . 0.0 110.216 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 HD21 ' A' ' 88' ' ' LEU . 89.7 mt -93.38 115.68 28.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.246 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.28 158.82 43.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.543 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.49 141.72 44.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.5 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt -93.78 121.1 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.217 0.532 . . . . 0.0 110.438 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.612 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 m . . . . . 0 N--CA 1.441 -0.886 0 CA-C-O 120.819 0.342 . . . . 0.0 110.553 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 75' ' ' GLN . 12.5 t -88.39 30.78 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.306 0.574 . . . . 0.0 109.477 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 118.81 30.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.997 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.594 ' SD ' ' HB3' ' A' ' 80' ' ' GLN . 87.9 mmm -107.74 147.44 30.78 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.168 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -109.58 116.93 32.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.087 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 2.7 mm? -112.21 119.95 40.11 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.616 -175.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 41.7 ttt180 -123.71 114.74 20.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.016 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.423 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 75.9 t80 -108.34 118.18 36.1 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -88.58 93.92 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.91 -31.64 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.789 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -66.8 -53.12 36.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.95 -178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.94 -31.17 45.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 p -58.29 154.94 12.45 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -76.94 34.93 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.485 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.693 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 73.6 mt -85.3 143.52 39.34 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.563 0.22 . . . . 0.0 110.53 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.16 146.61 87.13 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.343 2.029 . . . . 0.0 111.412 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.58 -31.77 71.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.992 2.461 . . . . 0.0 112.546 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -51.41 -46.88 63.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.409 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 81.9 m-85 -74.96 -45.9 39.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.763 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.693 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 97.6 mttt -57.72 -39.88 78.3 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.405 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.24 -57.12 14.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.239 0.542 . . . . 0.0 110.924 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -63.58 -29.52 70.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.325 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 95' ' ' ILE . 94.8 mt -68.8 -47.46 66.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.182 0.515 . . . . 0.0 110.294 173.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.08 -17.73 64.46 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.296 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.72 12.58 31.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.34 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 59' ' ' LEU . 12.0 mt -82.75 169.52 16.07 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-O 120.945 0.402 . . . . 0.0 110.092 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.92 16.21 26.36 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.425 0.631 . . . . 0.0 109.75 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.73 133.14 34.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.197 -174.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -79.77 -14.89 58.39 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.887 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -72.3 -24.45 61.33 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.238 0.542 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.6 mt -81.56 110.17 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.738 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.0 p -85.51 162.94 18.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.407 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.4 m -69.31 -16.21 63.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.453 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.04 -9.04 58.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.591 177.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.52 27.1 33.6 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.086 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -123.37 136.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 12.5 tt -115.2 127.87 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 8.3 p -124.02 137.79 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -177.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.17 164.06 29.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.633 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -124.91 106.38 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.197 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.4 103.73 15.93 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.1 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 35' ' ' SER . 37.7 tt0 -140.14 20.18 2.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.448 0.642 . . . . 0.0 109.659 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -81.34 -47.49 13.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.385 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.409 ' HD2' ' HB3' ' A' ' 82' ' ' GLN . 3.4 t80 -86.32 176.32 7.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.673 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -70.71 -32.02 69.08 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -126.12 149.78 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.183 0.516 . . . . 0.0 112.346 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.594 ' HB3' ' SD ' ' A' ' 37' ' ' MET . 49.5 mt-30 -68.21 -39.22 82.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.75 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 42.5 tt0 -61.51 -40.58 95.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.576 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.409 ' HB3' ' HD2' ' A' ' 77' ' ' TYR . 66.1 mm-40 -72.42 -38.58 68.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -61.0 -35.83 77.88 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 120.863 0.363 . . . . 0.0 110.108 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 64.3 ttt180 -57.2 -58.68 7.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.411 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.99 88.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.604 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.77 -49.8 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.58 86.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.446 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.523 HD21 HD21 ' A' ' 17' ' ' LEU . 84.0 mt -64.49 -37.56 87.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 tt -66.41 -45.26 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -62.29 -39.4 92.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.328 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 95' ' ' ILE . 45.7 tp -67.95 -52.21 38.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.248 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 p -61.04 -39.21 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -61.17 -50.27 73.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.662 175.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.66 -43.77 76.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.885 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.533 ' HA ' HD21 ' A' ' 56' ' ' LEU . 75.7 mt -58.88 -48.28 86.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.058 0.456 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.518 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 44.7 t -74.29 -34.83 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.411 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 16.9 t-20 -61.54 -37.13 82.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.777 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.41 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.939 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.7 -11.72 52.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.829 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 78.3 mttt -87.39 -26.24 23.42 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.086 0.469 . . . . 0.0 110.041 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 90.7 mt . . . . . 0 C--N 1.319 -0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.314 -174.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 ttm . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.916 0.389 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.9 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 7.5 mp -87.23 102.15 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.936 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -76.54 110.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.505 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.8 mt -101.95 -42.56 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.306 0.575 . . . . 0.0 109.798 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.418 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 43.2 m -149.56 -175.43 5.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.674 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.32 -36.7 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.751 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -112.53 9.93 19.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.423 . . . . 0.0 111.204 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 47.2 t -124.74 117.63 50.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 109.925 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -143.54 144.55 32.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.776 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.9 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.5 mt -105.41 110.86 64.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.134 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.32 139.29 49.34 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.911 2.407 . . . . 0.0 111.848 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.79 -40.6 72.92 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.182 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -22.91 65.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.961 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.2 -1.07 57.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 110.971 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.405 HG22 ' HG ' ' A' ' 17' ' ' LEU . 55.1 mt -107.85 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.3 tp10 -88.9 107.97 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 88' ' ' LEU . 93.5 mt -110.53 111.92 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.034 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.568 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -100.08 142.07 32.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.145 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.3 130.89 52.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.179 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.9 mt -106.9 128.82 61.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.142 0.496 . . . . 0.0 110.728 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.5 mtp180 . . . . . 0 C--N 1.323 -0.584 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.487 174.748 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.45 -0.472 0 CA-C-O 121.028 0.442 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 m -82.26 0.89 39.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.154 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 116.44 17.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.662 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.48 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 88.8 mmm -109.06 152.3 25.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.305 177.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 42.5 t-80 -120.02 127.52 52.68 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' A' ' 87' ' ' ALA . 9.0 mp -104.79 135.19 46.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.607 -174.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 8.2 tpt180 -136.07 101.41 4.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 171.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 87.0 t80 -129.32 104.66 7.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.939 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.6 103.59 7.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.525 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 63.7 mt -59.8 -33.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.119 -0.696 . . . . 0.0 109.119 174.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -55.01 -56.64 17.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.849 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.92 1.08 50.02 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -78.09 166.17 23.11 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.055 0.455 . . . . 0.0 111.595 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 m -76.53 9.88 2.45 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.247 -176.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.666 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 79.8 mt -63.92 142.62 98.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.69 177.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 18.7 Cg_exo -67.06 136.98 42.83 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.36 2.04 . . . . 0.0 111.379 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 53' ' ' LYS . 10.0 Cg_endo -53.9 -29.18 52.39 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.108 2.538 . . . . 0.0 112.226 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.19 -46.67 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.576 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -77.05 -34.66 57.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.46 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.666 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.2 mttt -61.7 -44.81 96.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.142 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -38.38 79.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.372 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 96.2 mtt180 -63.55 -45.65 89.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 0.0 110.749 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD13 HD13 ' A' ' 43' ' ' ILE . 95.1 mt -64.08 -46.59 83.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.1 -25.06 67.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.056 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.06 9.12 37.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.838 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.14 159.82 27.27 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.242 0.544 . . . . 0.0 110.311 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -96.64 16.51 18.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.696 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.416 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 9.7 t70 -87.49 160.94 18.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.528 -172.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.9 m -100.92 -15.9 17.38 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.62 -174.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 12.7 mmt180 -75.8 -38.4 58.26 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.67 109.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.655 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.6 161.0 27.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -73.99 -5.74 43.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -169.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -99.17 0.41 43.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.09 50.45 22.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.864 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.409 HG12 HG23 ' A' ' 71' ' ' VAL . 47.4 t -129.39 137.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.779 0.323 . . . . 0.0 110.189 -178.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.0 mm -104.14 108.34 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.479 ' C ' HD12 ' A' ' 72' ' ' LEU . 34.9 t -126.74 112.53 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 71' ' ' VAL . 8.3 mp -135.09 173.92 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.386 0.612 . . . . 0.0 111.379 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -133.81 107.0 7.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.166 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -93.56 114.87 27.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.679 -171.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -149.08 94.7 2.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.063 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -140.37 -64.19 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.45 175.9 10.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.575 -173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -57.39 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.925 -177.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.4 p -106.89 159.26 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.232 0.539 . . . . 0.0 112.108 -170.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.42 -36.8 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.665 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.29 -50.98 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.05 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.77 -32.88 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.216 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -65.81 -35.54 80.98 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.839 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -60.92 -53.58 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.472 0.654 . . . . 0.0 109.934 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.6 90.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.996 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.54 -53.88 48.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.537 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -60.01 -46.66 88.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.795 -177.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.407 HD21 HD11 ' A' ' 17' ' ' LEU . 78.6 mt -63.85 -39.31 93.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 111.371 -178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.85 -47.86 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 109.859 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.34 -28.3 66.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.235 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.91 -51.64 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.084 0.468 . . . . 0.0 110.218 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 p -64.96 -35.2 80.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.573 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.06 -54.82 40.35 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.083 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 tt -52.0 -47.51 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.908 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -63.23 -52.06 63.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.897 0.379 . . . . 0.0 111.846 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.435 HG12 ' NZ ' ' A' ' 100' ' ' LYS . 40.1 t -73.21 -34.04 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.457 0.646 . . . . 0.0 110.718 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -68.04 -42.17 80.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HA ' ' HB3' ' A' ' 101' ' ' LEU . . . -64.43 -14.26 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.754 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.467 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -70.29 -19.27 63.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.435 ' NZ ' HG12 ' A' ' 96' ' ' VAL . 12.1 mptt -95.88 -13.35 24.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.283 0.563 . . . . 0.0 110.134 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.531 ' HB3' ' HA ' ' A' ' 98' ' ' ALA . 19.7 tp . . . . . 0 N--CA 1.432 -1.335 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.81 -165.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.934 0.397 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.597 HD23 HD12 ' A' ' 10' ' ' LEU . 58.5 tp -83.17 95.86 8.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.177 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.0 109.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.033 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.73 -37.74 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.258 0.552 . . . . 0.0 110.101 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -151.79 171.4 17.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.544 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -64.21 -27.77 69.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 0.0 110.205 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -108.01 6.13 26.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.281 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -136.11 118.05 20.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.753 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -133.84 137.26 44.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.597 HD12 HD23 ' A' ' 2' ' ' LEU . 67.7 mt -114.61 114.98 44.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.32 145.6 78.24 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.897 2.398 . . . . 0.0 111.924 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -62.69 -29.13 70.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.23 0.538 . . . . 0.0 111.299 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -23.0 66.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.198 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -88.45 8.97 25.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.07 0.462 . . . . 0.0 110.986 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.74 114.92 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.525 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -102.09 118.41 36.83 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.217 0.532 . . . . 0.0 110.522 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HG ' ' HE ' ' A' ' 84' ' ' ARG . 3.2 mm? -99.64 110.75 23.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.336 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.586 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -106.41 148.17 28.42 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.83 132.9 49.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.0 mt -93.5 105.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 109.884 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 . . . . . 0 C--N 1.321 -0.65 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.667 -178.642 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.844 0.354 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.4 m -101.57 7.35 42.28 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.884 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.95 122.4 20.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.627 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.429 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 93.4 mmm -106.73 148.94 27.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.733 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.586 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 32.1 t-80 -116.05 123.79 48.81 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.073 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.12 131.97 54.66 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.493 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -122.83 119.01 29.29 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.717 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.1 t80 -127.55 102.3 6.79 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.799 176.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.73 100.54 4.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.386 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 70' ' ' ILE . 76.6 mt -58.34 -29.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.808 0.814 . . . . 0.0 109.341 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.73 -48.35 72.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.051 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.17 9.62 42.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -171.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 p -91.48 176.68 6.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.865 0.365 . . . . 0.0 111.294 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -83.86 19.2 1.77 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.642 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 89.1 mt -71.82 126.04 91.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 177.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 32.2 Cg_exo -59.33 151.58 66.88 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.921 2.414 . . . . 0.0 112.201 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.68 -45.32 24.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.757 2.972 . . . . 0.0 113.107 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -54.39 -52.19 62.47 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.041 0.448 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.4 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 97.8 m-85 -67.8 -43.61 79.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.003 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 37.5 ttmt -57.57 -45.54 85.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.093 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.91 -50.05 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.219 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -58.76 -42.13 88.21 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.621 0.768 . . . . 0.0 111.611 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 96.4 mt -66.28 -46.36 77.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.199 0.523 . . . . 0.0 110.865 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.551 HD21 ' HA2' ' A' ' 68' ' ' GLY . 30.5 mt -67.89 -19.05 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.079 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.02 14.75 28.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.446 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.7 mt -81.72 174.97 10.85 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 121.192 0.52 . . . . 0.0 110.481 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.54 16.2 24.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.537 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.63 -175.87 5.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.974 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -127.22 -17.34 4.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.965 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -75.52 -24.68 56.82 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 175.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.4 HG12 HD11 ' A' ' 70' ' ' ILE . 62.8 mt -93.63 112.64 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.841 176.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.6 p -81.49 149.96 28.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.499 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -65.48 -19.4 65.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.32 -23.89 59.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.48 0.657 . . . . 0.0 110.135 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.551 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . 101.86 31.05 5.55 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.849 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.34 128.88 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 28.6 mm -87.87 115.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.773 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.434 ' C ' HD12 ' A' ' 72' ' ' LEU . 44.0 t -124.29 119.54 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.117 0.485 . . . . 0.0 110.924 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -138.17 172.7 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -132.25 109.6 10.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -84.41 112.79 20.68 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.535 -176.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -142.04 27.36 1.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.006 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.66 -36.68 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.618 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.37 163.65 13.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.643 -177.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -88.17 -32.21 18.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.33 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -85.54 126.85 34.18 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.263 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -58.24 -39.98 80.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.746 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.71 -48.77 58.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.21 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -68.88 -32.84 72.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.66 -36.79 84.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.321 0.581 . . . . 0.0 109.958 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HE ' ' HG ' ' A' ' 17' ' ' LEU . 45.0 ttt180 -62.08 -50.59 71.36 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.68 174.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.43 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.571 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 26.1 t70 -58.63 -53.46 58.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.68 78.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.676 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 92.6 mt -66.35 -45.21 80.96 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.004 0.431 . . . . 0.0 110.91 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.42 -41.34 89.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 6.7 ttt180 -62.76 -41.23 99.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.908 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 95' ' ' ILE . 52.5 tp -62.11 -52.31 64.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.832 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 p -62.38 -40.29 95.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.184 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.25 -49.53 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.063 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.63 -44.26 93.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.719 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -59.09 -48.02 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 50.8 t -71.73 -39.6 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 10.8 t-20 -62.82 -41.43 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.442 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.53 73.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.004 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.04 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.82 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 56.7 mtpt -72.48 -21.03 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.37 0.605 . . . . 0.0 110.392 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 N--CA 1.442 -0.843 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.167 -178.611 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 52.9 ttm . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.841 0.353 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.928 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 6.5 mp -82.47 89.01 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.058 0.456 . . . . 0.0 109.968 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.12 109.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.977 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.5 mt -100.76 -41.39 8.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.307 0.575 . . . . 0.0 109.67 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.704 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 18.6 m -127.73 163.05 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -61.07 -35.99 78.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.817 0.342 . . . . 0.0 110.783 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -108.12 10.74 27.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.105 0.478 . . . . 0.0 110.841 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.704 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 91.0 t -130.25 117.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 110.274 -178.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.427 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 13.5 m80 -133.8 148.9 51.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.985 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.928 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.1 mt -112.64 117.82 46.15 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.75 0.31 . . . . 0.0 110.606 173.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -73.05 142.81 35.1 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.896 2.397 . . . . 0.0 111.89 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.53 -39.21 72.97 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.94 67.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.236 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.17 -5.03 59.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.473 . . . . 0.0 111.161 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -104.96 114.04 43.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.399 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 5.5 tp10 -92.72 108.59 20.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.004 0.431 . . . . 0.0 110.679 -175.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -94.1 110.39 22.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.683 176.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.646 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -103.21 157.06 17.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.35 133.98 55.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.156 0.503 . . . . 0.0 111.364 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.527 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 19.3 mt -109.0 168.16 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' HG22 ' A' ' 20' ' ' ILE . 70.2 ttt180 . . . . . 0 C--N 1.314 -0.941 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 m . . . . . 0 N--CA 1.446 -0.67 0 CA-C-O 120.409 0.147 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -53.35 -60.33 3.44 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.821 0.7 . . . . 0.0 110.494 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB1' ' HB ' ' A' ' 20' ' ' ILE . . . 47.86 85.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 O-C-N 124.222 0.951 . . . . 0.0 113.455 173.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.634 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 25.8 mtt -100.04 153.48 19.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.58 0.705 . . . . 0.0 110.249 171.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.646 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 37.5 t-80 -114.48 122.37 46.39 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.738 178.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.58 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 mm? -96.83 126.52 42.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.696 -174.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 60.4 ttt180 -128.89 118.27 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.055 170.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.606 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.7 t80 -130.86 111.58 12.23 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.12 99.56 7.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.207 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.638 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 59.7 mt -61.16 -34.1 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.76 -49.77 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.346 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.32 1.83 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.2 p -77.63 161.16 28.02 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -73.51 2.76 7.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.437 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.551 ' HG ' HD21 ' A' ' 10' ' ' LEU . 78.3 mt -62.27 141.43 96.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 111.012 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 16.1 Cg_exo -69.05 153.75 71.66 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.668 2.245 . . . . 0.0 111.286 173.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.63 -27.67 52.24 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.101 2.534 . . . . 0.0 112.433 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.413 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.0 t80 -53.7 -52.44 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.143 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -74.28 -35.64 63.76 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.89 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.638 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.4 mttt -59.07 -42.76 91.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.09 -52.2 66.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.5 mmm180 -54.76 -39.83 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.582 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 93.2 mt -73.51 -46.32 48.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.335 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.3 tp -64.8 -41.95 95.39 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.13 21.43 1.67 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.199 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 8.2 mt -87.8 175.23 7.93 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.446 0.641 . . . . 0.0 111.255 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -111.2 15.49 21.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.311 1.053 . . . . 0.0 108.735 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.628 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 2.7 t70 -86.51 127.68 34.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.713 -171.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 p -83.66 4.56 28.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.908 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.628 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 4.9 ptp180 -89.83 -6.68 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.9 mt -109.65 130.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.066 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.8 p -90.89 150.64 21.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.574 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 m -64.29 -14.53 56.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.21 -12.72 45.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.507 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 38.69 5.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -124.22 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.732 0.301 . . . . 0.0 110.432 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.606 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.4 mm -95.36 119.19 43.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.797 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -136.09 118.06 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.458 0.647 . . . . 0.0 110.95 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.466 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.1 mp -137.41 176.46 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -124.53 114.76 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.107 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -93.75 102.18 14.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.557 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -136.55 24.18 3.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.815 0.817 . . . . 0.0 109.443 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.58 -57.31 4.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.697 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -83.07 162.37 21.38 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.763 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -71.54 -36.75 71.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.522 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 p -99.57 160.18 14.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.96 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -74.99 -44.41 48.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.182 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.33 -35.53 81.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.4 -33.08 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 0.0 110.562 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -66.95 -44.73 79.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.256 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.56 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 29.0 ttt-85 -51.17 -53.02 38.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.456 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.98 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.974 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.616 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 17.3 t70 -66.19 -44.29 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.329 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.83 78.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 90.3 mt -64.62 -35.22 80.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.464 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -69.53 -39.59 77.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.447 178.674 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 23.6 mmt180 -66.26 -34.14 77.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.44 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.42 -50.83 66.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -66.62 -40.66 88.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 3.5 tm-20 -55.41 -48.27 74.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.002 175.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.496 HD13 HH11 ' A' ' 63' ' ' ARG . 62.5 tp -56.14 -44.74 79.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.622 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.02 -46.78 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.777 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.68 -37.38 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.166 0.508 . . . . 0.0 110.165 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 3.3 t-20 -61.41 -45.33 94.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.615 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 59' ' ' LEU . . . -66.76 -24.24 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.7 24.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -94.8 -26.66 16.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 111.444 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.2 mt . . . . . 0 C--N 1.318 -0.766 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.594 -177.234 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 48.2 tp -93.89 98.13 10.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.9 t -87.46 110.63 20.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.33 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -95.99 -38.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.444 0.64 . . . . 0.0 110.03 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -151.11 176.25 11.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.224 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.88 -42.27 93.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.859 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.24 10.16 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.185 0.517 . . . . 0.0 110.787 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.84 118.01 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.079 0.466 . . . . 0.0 110.727 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -133.13 152.56 51.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.508 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.661 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.2 mt -123.44 132.63 24.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 13.2 Cg_exo -69.6 135.44 30.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.749 2.299 . . . . 0.0 112.165 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.55 -39.66 77.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.101 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -26.33 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.869 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -87.33 6.73 32.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -116.52 118.87 60.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.553 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 13.4 tp10 -99.3 108.76 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.018 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.7 110.64 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.948 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -115.91 153.09 32.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.211 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.43 126.75 53.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.711 0.291 . . . . 0.0 110.666 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.85 119.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 110.574 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 . . . . . 0 C--N 1.32 -0.698 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.121 -179.241 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.452 -0.372 0 CA-C-O 121.075 0.464 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 80' ' ' GLN . 43.3 m -98.72 7.47 46.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.106 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.58 117.16 18.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.41 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mtp -99.12 147.78 24.73 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.486 0.66 . . . . 0.0 111.261 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 19.2 t-80 -107.69 126.83 53.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.782 174.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.6 tp -120.73 128.7 53.18 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.194 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 29.3 ttt180 -121.3 113.26 19.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.08 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -110.95 105.74 14.62 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 46' ' ' SER . 8.5 t70 -74.19 120.25 19.5 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.26 -174.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.506 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 62.8 mt -80.24 -37.34 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.64 -57.66 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.252 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.05 13.94 15.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.215 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 83.0 p -68.37 146.11 53.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.651 0.262 . . . . 0.0 110.793 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 m -75.96 15.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.75 0.31 . . . . 0.0 111.628 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 87.5 mt -80.35 124.04 82.67 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.451 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 52' ' ' TYR . 73.1 Cg_exo -51.13 160.58 2.01 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.335 2.69 . . . . 0.0 112.87 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.89 -31.43 33.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.363 2.708 . . . . 0.0 112.601 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.76 -50.05 66.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 95.6 m-85 -69.98 -40.98 75.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.55 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 43' ' ' ILE . 42.3 mmtm -50.28 -53.14 30.59 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.328 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -55.82 -47.33 77.39 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 112.105 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 16.6 mmt-85 -60.49 -39.61 88.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.605 0.24 . . . . 0.0 111.633 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.8 -47.76 43.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.64 -27.96 69.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.078 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.29 16.05 25.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.07 157.58 18.28 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -100.42 16.0 25.99 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.029 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.24 144.36 27.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.436 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 m -76.58 -14.63 59.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.687 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HB3' HD12 ' A' ' 70' ' ' ILE . 27.9 mmt180 -67.62 -26.33 66.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.114 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.4 mm -77.99 115.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.052 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.2 p -106.92 159.67 16.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.208 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -70.55 -25.86 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.508 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -70.04 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 109.647 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 39.39 5.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.597 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 59.1 t -141.06 137.74 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 40.9 mm -84.26 109.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.2 t -117.54 126.49 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.385 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.22 163.08 34.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 111.151 177.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -136.98 106.47 6.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.157 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.99 114.31 27.13 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -168.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -121.16 30.29 6.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 166.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -57.18 -40.8 78.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.26 -1.337 . . . . 0.0 111.045 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.456 ' HD1' ' H ' ' A' ' 79' ' ' THR . 3.8 t80 -102.1 160.99 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.8 -41.61 95.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.75 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.456 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 3.3 p -101.93 145.37 29.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.692 -176.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.483 ' HB2' ' HA ' ' A' ' 35' ' ' SER . 8.3 tt0 -69.46 -36.87 77.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.086 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 81' ' ' GLU . 1.4 mp0 -58.59 -37.83 76.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.658 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -75.1 -38.92 61.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.243 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.91 -39.74 75.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.939 0.4 . . . . 0.0 110.346 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -55.9 -57.32 12.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.215 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.66 -34.73 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.434 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.02 -53.1 59.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.792 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.76 92.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.617 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.94 -35.27 79.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -53.14 46.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.849 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -67.5 -28.49 67.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.726 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.56 -50.85 70.98 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -65.34 -36.57 84.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.295 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.02 -47.82 81.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.877 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.72 -40.58 75.94 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.311 0.382 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.61 -48.9 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.53 HG12 ' HE2' ' A' ' 100' ' ' LYS . 36.5 t -76.46 -34.17 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.255 0.55 . . . . 0.0 110.105 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -53.39 -54.82 31.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.374 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.35 64.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.722 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.477 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -72.44 -23.8 61.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.339 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.53 ' HE2' HG12 ' A' ' 96' ' ' VAL . 66.1 mttm -85.69 -26.52 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 111.295 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mp . . . . . 0 C--N 1.319 -0.757 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.934 178.269 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 56.4 ttp . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.083 0.468 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 58.8 tp -88.15 99.97 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.632 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.28 109.89 18.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.978 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -79.9 -43.08 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.633 0.73 . . . . 0.0 109.938 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -151.5 172.47 15.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.731 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -45.69 -46.69 15.0 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -176.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -106.25 13.79 28.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.62 117.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.413 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 22.8 m80 -131.4 135.77 47.46 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.899 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 10' ' ' LEU . 27.0 mt -113.07 104.57 55.82 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.77 145.52 89.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.871 2.381 . . . . 0.0 112.149 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.91 -40.82 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.308 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.2 -29.84 70.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.824 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -89.44 2.25 54.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 111.587 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.406 HG22 ' HG ' ' A' ' 17' ' ' LEU . 58.5 mt -100.18 102.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.485 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.5 tp10 -81.99 104.24 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 110.301 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.476 HD13 ' HE ' ' A' ' 84' ' ' ARG . 90.4 mt -110.38 134.61 52.14 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.629 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.92 156.17 47.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.54 127.76 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -89.11 112.43 24.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.981 -174.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--O 1.234 0.26 0 CA-C-O 121.612 0.72 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.584 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 44.6 m -134.69 7.44 3.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.863 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.99 102.65 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.32 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.4 mmm -96.62 141.44 29.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.788 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -119.21 126.93 52.71 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.682 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' HG ' HD23 ' A' ' 17' ' ' LEU . 8.3 mp -115.36 136.88 52.63 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.79 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 26.7 ttt180 -126.32 124.54 40.51 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.242 173.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -121.0 100.46 7.09 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.868 0.365 . . . . 0.0 110.064 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.89 92.72 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.194 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.542 HD13 ' HB3' ' A' ' 56' ' ' LEU . 64.6 mt -57.43 -37.12 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.634 . . . . 0.0 110.261 178.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.89 -44.59 72.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.3 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.68 -22.81 25.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.4 p -61.81 161.89 9.61 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 p -88.28 23.19 2.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.923 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.55 148.13 98.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.137 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.4 141.27 95.19 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.604 2.203 . . . . 0.0 111.492 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.537 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 9.5 Cg_endo -50.94 -38.79 59.2 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.432 2.755 . . . . 0.0 112.895 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -55.37 -49.15 73.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.204 0.526 . . . . 0.0 111.185 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -70.83 -36.67 73.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.941 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 94.0 mttt -58.87 -41.64 87.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.965 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 48.1 mt-10 -59.74 -46.03 90.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 111.002 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -62.35 -36.13 81.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.402 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 43' ' ' ILE . 94.4 mt -73.3 -46.16 51.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.154 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 89.9 mt -63.1 -39.13 93.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.8 45.3 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.466 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -84.64 -173.17 4.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.066 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -114.47 16.29 17.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.14 173.23 9.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.76 -176.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -119.76 -16.88 8.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.694 -175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 63' ' ' ARG . 55.9 mtt-85 -94.07 -14.99 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.93 114.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.183 170.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.62 162.29 24.3 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -176.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -86.72 10.42 15.85 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -166.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.75 0.11 23.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.541 0.686 . . . . 0.0 109.374 173.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.12 53.67 2.0 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.407 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.34 135.27 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 110.778 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.96 133.09 41.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.386 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.2 129.87 57.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.73 -177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -141.58 164.44 30.22 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -142.57 106.38 4.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.726 0.774 . . . . 0.0 109.956 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.78 102.0 14.7 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.495 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -132.77 46.75 2.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.141 177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.655 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -108.35 -43.06 4.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.301 -173.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.35 168.84 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.99 -175.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 78' ' ' ARG . 40.1 ttt-85 -68.89 -42.91 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -173.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.8 p -108.93 157.88 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.81 0.338 . . . . 0.0 111.455 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.584 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.0 mt-30 -63.84 -43.37 96.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.424 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -62.36 -37.4 85.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.555 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -70.61 -39.7 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.894 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -66.75 -37.32 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.197 0.523 . . . . 0.0 109.828 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HE ' HD13 ' A' ' 17' ' ' LEU . 36.9 ttt180 -62.88 -48.8 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.194 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.53 89.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.065 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.47 -52.74 63.58 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.18 0.514 . . . . 0.0 110.874 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.26 91.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.45 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.97 -42.26 94.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.865 0.365 . . . . 0.0 111.103 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.23 -51.56 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.296 0.57 . . . . 0.0 109.536 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -62.66 -42.78 99.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.16 -48.17 81.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.298 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -63.23 -39.4 94.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.765 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.09 -43.74 81.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.129 0.49 . . . . 0.0 109.956 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.45 -44.1 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.459 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.541 ' HA ' HD21 ' A' ' 56' ' ' LEU . 70.7 mt -57.96 -49.27 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.108 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.44 -41.46 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.111 0.481 . . . . 0.0 110.417 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.2 t-20 -63.43 -34.58 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.791 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.17 70.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.72 62.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.32 -21.25 18.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.538 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 78.1 mt . . . . . 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.959 -173.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -95.59 100.83 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.748 -176.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.16 110.48 20.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.177 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.1 mt -94.34 -65.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.059 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -127.92 -170.71 2.29 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -66.8 -45.39 78.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -96.77 2.38 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.174 0.512 . . . . 0.0 111.459 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -125.19 116.89 48.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.071 0.462 . . . . 0.0 110.684 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -135.48 141.39 45.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.671 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 69.7 mt -106.9 101.92 39.81 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-O 120.856 0.36 . . . . 0.0 110.09 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.92 147.31 95.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.445 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.75 -33.69 64.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -25.18 67.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.494 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.39 -4.51 58.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.224 0.535 . . . . 0.0 110.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' HG ' ' A' ' 17' ' ' LEU . 45.2 mm -115.13 121.71 67.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.494 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 31.5 tt0 -101.7 95.35 6.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 0.0 109.934 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.553 ' HG ' HG22 ' A' ' 15' ' ' ILE . 94.9 mt -100.31 109.36 21.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.69 126.96 55.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.907 0.384 . . . . 0.0 111.276 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.98 120.0 32.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.302 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mt -117.54 160.17 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 . . . . . 0 C--N 1.315 -0.913 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.043 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.441 -0.906 0 CA-C-O 120.762 0.315 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -90.57 29.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.007 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.2 114.72 25.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.191 0.52 . . . . 0.0 111.396 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 70.4 mtp -114.57 154.48 28.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.111 0.481 . . . . 0.0 111.003 174.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -123.9 131.49 53.59 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.3 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.7 mp -113.57 139.95 48.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.268 177.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.546 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 38.9 ttt180 -144.54 107.51 4.5 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.529 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.5 t80 -123.34 112.98 18.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.091 0.472 . . . . 0.0 111.101 -176.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 46' ' ' SER . 1.2 m-20 -75.03 97.77 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.472 176.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.21 -34.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -43.67 92.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.485 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.68 15.99 25.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 96.3 p -72.47 177.05 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 111.367 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -85.84 3.57 41.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.545 HD11 HD21 ' A' ' 10' ' ' LEU . 8.9 mp -68.43 136.97 90.96 Favored Pre-proline 0 CA--C 1.521 -0.172 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.586 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.75 145.64 89.2 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.602 2.201 . . . . 0.0 111.311 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.99 -37.56 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.684 2.923 . . . . 0.0 113.147 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.526 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 88.6 t80 -57.82 -54.08 50.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 39.6 ttmt -59.54 -46.5 88.68 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.966 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.49 -45.62 91.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.623 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 51' ' ' PHE . 57.4 mtp85 -58.74 -43.79 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.17 -45.42 85.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 0.0 111.085 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 73.4 mt -60.76 -29.04 69.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.96 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.44 31.58 5.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.816 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 59' ' ' LEU . 8.0 mt -87.59 170.05 11.63 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.023 0.44 . . . . 0.0 111.056 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.92 16.06 25.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.647 0.737 . . . . 0.0 109.128 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.8 165.47 22.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.995 -174.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -105.9 -12.27 15.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.132 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -39.57 15.22 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.0 mt -84.38 118.13 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.088 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.1 p -87.53 156.22 19.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.447 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 m -69.6 -7.61 40.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.79 -18.77 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.318 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' CD2' ' A' ' 57' ' ' LEU . . . 105.0 13.76 24.46 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.594 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.47 135.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.556 HG12 HD11 ' A' ' 72' ' ' LEU . 12.0 tt -99.72 120.6 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.104 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 4.0 mp -136.99 160.46 38.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.238 0.542 . . . . 0.0 110.251 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -130.35 104.85 7.51 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -87.86 101.8 14.08 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.404 -174.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.1 87.23 1.26 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.195 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -139.5 -42.42 0.45 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.85 178.15 8.31 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.256 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -70.55 -43.24 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.808 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.4 p -112.7 161.14 17.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.842 0.353 . . . . 0.0 111.5 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -67.92 -35.49 78.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.552 0.692 . . . . 0.0 109.268 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.47 -37.68 78.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.887 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -75.5 -40.43 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.585 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 91.3 m-20 -63.39 -34.42 77.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.241 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.31 -48.69 73.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.744 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.43 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.516 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.66 -49.43 76.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 0.0 110.354 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.71 99.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.89 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.8 -37.71 85.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.95 -43.12 83.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.3 0.572 . . . . 0.0 109.753 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 90' ' ' ARG . 3.8 ttt180 -61.17 -41.42 96.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.793 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.3 tp -58.63 -51.41 70.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.628 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 m -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.893 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -59.21 -41.07 87.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.505 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.29 -47.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -47.81 85.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.29 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -66.71 -38.3 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.329 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.61 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.712 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.83 71.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 100' ' ' LYS . 0.7 OUTLIER -96.01 -20.41 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.266 -179.069 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.1 mt . . . . . 0 C--N 1.321 -0.647 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.549 178.049 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.894 0.378 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 3.8 mm? -97.17 103.3 15.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.208 0.528 . . . . 0.0 110.168 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -80.67 110.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.982 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -93.73 -41.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.283 0.563 . . . . 0.0 110.032 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 t -148.52 -177.2 5.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.154 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.08 -48.29 80.59 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.153 0.283 . . . . 0.0 111.489 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -111.89 19.26 18.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.37 0.605 . . . . 0.0 110.581 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.49 118.49 53.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -139.06 143.53 38.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.583 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 76.4 mt -109.45 103.62 53.24 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.78 140.11 78.45 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.678 2.252 . . . . 0.0 111.486 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.12 -39.04 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.16 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.82 -27.42 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.632 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -84.63 0.12 51.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -113.66 118.37 58.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.425 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.6 tp10 -73.86 103.74 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.958 0.409 . . . . 0.0 110.334 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.2 111.27 23.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.109 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.2 m -119.86 158.77 25.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.214 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.01 134.02 52.58 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 38' ' ' HIS . 53.9 mt -106.13 99.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.875 0.369 . . . . 0.0 110.055 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.594 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.4 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 111.378 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.57 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 12.2 p -123.55 10.19 9.09 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.822 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -84.51 116.74 23.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.017 -172.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.572 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 2.2 mmt -100.66 145.6 28.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.04 172.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.656 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 34.3 t-80 -115.56 123.36 48.28 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.94 124.44 47.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.416 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.571 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 19.8 ttt180 -118.92 113.3 20.81 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 171.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -113.46 104.89 12.73 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.086 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.82 100.13 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.154 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.21 -38.17 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.252 0.548 . . . . 0.0 109.911 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -56.42 -52.07 66.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.594 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.69 14.46 31.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -170.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 p -96.39 161.37 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.152 -0.343 . . . . 0.0 110.754 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -78.73 41.51 0.42 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.052 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.54 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 58.6 mt -86.48 147.96 45.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 16.7 Cg_exo -69.25 141.95 48.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.476 2.118 . . . . 0.0 111.477 173.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 78.2 Cg_exo -51.38 -38.63 63.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.407 2.738 . . . . 0.0 113.39 -177.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -53.6 -50.54 65.42 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.262 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -72.36 -31.82 65.94 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.274 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 93.0 mttt -63.99 -40.09 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.31 -46.91 88.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.664 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 13.9 mmt180 -64.91 -34.79 79.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -177.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' A' ' 95' ' ' ILE . 93.1 mt -66.75 -45.09 79.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.7 mt -70.13 -17.64 63.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.598 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.92 5.61 49.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.432 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.39 153.17 23.59 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 110.086 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -96.77 16.11 20.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.631 0.729 . . . . 0.0 109.767 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -83.78 133.73 34.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.51 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 23.2 t -84.31 -3.6 58.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -86.44 -15.15 41.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.459 HG12 HD11 ' A' ' 70' ' ' ILE . 64.4 mt -81.03 108.24 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.637 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -76.16 156.87 33.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.269 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 m -61.88 -25.99 67.88 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -73.41 -14.96 61.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.44 42.32 7.95 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.467 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.1 t -124.0 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.816 0.341 . . . . 0.0 110.49 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.521 HG22 HD11 ' A' ' 72' ' ' LEU . 48.4 mm -102.51 115.49 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.017 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.21 126.13 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.08 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.521 HD11 HG22 ' A' ' 70' ' ' ILE . 3.0 mp -125.47 157.15 37.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.543 0.687 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.82 104.84 7.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.472 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -88.15 100.02 12.64 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.898 -178.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -146.66 76.21 1.42 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -140.92 -37.32 0.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.77 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.4 164.64 19.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.86 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -68.38 -40.08 81.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.726 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.6 p -113.57 151.74 31.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 111.522 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.57 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 50.6 mt-30 -61.23 -36.67 80.58 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.941 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.32 -50.77 72.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.272 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -66.53 -37.08 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.933 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.1 -40.31 97.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.274 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -62.49 -47.74 82.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.116 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.56 93.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.371 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 31.7 t70 -64.75 -49.51 70.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.371 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.01 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.784 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.66 -38.05 89.65 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.857 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.3 tp -69.77 -39.71 76.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.269 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 28.0 mtp180 -67.58 -39.16 84.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.083 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.76 -51.38 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.912 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 p -66.51 -42.9 86.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.442 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.29 -42.6 98.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.161 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.53 -42.25 82.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.728 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.511 ' HA ' HD21 ' A' ' 56' ' ' LEU . 67.0 mt -60.74 -43.8 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.01 -34.64 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.309 0.576 . . . . 0.0 110.195 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.435 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 2.4 t-20 -64.4 -41.95 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.48 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -35.27 68.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.004 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.445 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -70.61 -18.62 62.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.917 0.389 . . . . 0.0 111.038 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.699 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -95.38 -16.16 22.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 110.79 -178.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 87.1 mt . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.03 -173.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 59.8 tp -86.39 96.41 10.0 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.64 110.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.752 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.0 mt -99.03 -41.63 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.382 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -153.26 -175.22 5.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.883 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.93 12.39 27.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.398 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.73 117.19 49.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.524 . . . . 0.0 110.357 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -141.09 138.91 33.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.429 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 66.1 mt -118.16 123.21 29.63 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.583 0.23 . . . . 0.0 110.742 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.482 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 32.3 Cg_exo -61.96 141.11 88.21 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.523 2.149 . . . . 0.0 111.362 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -55.96 -39.98 72.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.936 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -20.32 62.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.975 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.482 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 28.4 mt-10 -84.13 2.15 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 0.0 111.01 -177.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -118.19 114.15 44.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.452 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.629 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 29.4 tt0 -79.97 106.73 12.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.885 0.374 . . . . 0.0 110.034 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -95.09 108.56 20.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.45 167.53 16.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.28 146.61 46.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.545 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.5 mt -104.88 112.02 36.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.321 -0.672 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.979 -176.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.443 -0.793 0 CA-C-O 120.634 0.254 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 p -84.82 -11.35 55.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.18 107.35 1.03 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.937 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.5 mmm -96.23 147.41 23.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.057 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -109.15 122.82 48.12 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.542 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 3.5 mm? -111.69 130.12 55.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.558 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 42.8 ttt180 -137.92 106.91 5.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.01 124.28 50.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -90.48 107.35 19.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.099 0.476 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' A' ' 56' ' ' LEU . 35.8 mt -78.04 -24.22 13.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.417 0.627 . . . . 0.0 110.037 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.24 -52.1 56.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.905 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.6 12.73 18.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 p -74.92 172.55 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.864 0.302 . . . . 0.0 111.186 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.93 16.19 1.25 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.89 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.549 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 52.1 mt -76.12 135.14 70.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.767 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 31.3 Cg_exo -60.4 147.45 94.01 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.72 2.28 . . . . 0.0 111.566 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.0 -33.14 33.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.485 2.79 . . . . 0.0 113.041 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.594 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 78.6 t80 -55.14 -53.19 59.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.767 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -67.78 -36.33 80.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.952 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.549 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 96.1 mttt -58.86 -51.64 69.14 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.948 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.35 -41.51 69.19 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 123.315 0.385 . . . . 0.0 111.934 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 7.0 mmm180 -58.03 -51.26 70.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 111.065 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' A' ' 43' ' ' ILE . 87.9 mt -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.836 -177.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.67 -22.5 65.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.072 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.02 14.06 31.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.505 ' HG ' ' H ' ' A' ' 61' ' ' ASP . 22.4 tp -86.92 144.71 26.84 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.78 15.22 13.34 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.622 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' ' 64' ' ' ILE . 10.8 t70 -70.17 132.16 45.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.414 -176.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 m -62.93 -19.21 64.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.424 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -83.07 -8.54 59.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.85 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' ' 61' ' ' ASP . 49.3 mm -93.54 120.67 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.929 177.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -94.08 160.5 14.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.637 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -70.03 -14.64 62.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.489 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.37 -14.05 59.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.054 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.85 28.49 15.63 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.07 136.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 tt -107.91 127.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.03 0.443 . . . . 0.0 109.809 174.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.81 133.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.489 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.8 mp -132.81 159.45 39.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 110.411 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -131.94 108.48 9.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.009 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.36 101.85 13.6 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.823 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -129.96 26.2 5.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.606 0.717 . . . . 0.0 109.428 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.36 -51.66 34.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.088 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -92.99 165.02 13.06 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.354 0.597 . . . . 0.0 112.578 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.467 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.3 p -105.34 163.27 12.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.565 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -75.57 -33.15 60.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.377 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.71 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.366 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.39 -39.5 85.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -36.42 83.16 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.713 0.292 . . . . 0.0 110.667 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -65.87 -52.53 49.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.026 0.441 . . . . 0.0 110.218 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.44 87.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.591 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.34 -51.49 51.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.91 87.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.701 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.32 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.684 0.278 . . . . 0.0 111.187 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.71 -46.62 52.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 90' ' ' ARG . 19.7 mtt180 -64.33 -35.03 79.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.392 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.15 -51.1 61.08 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.126 0.489 . . . . 0.0 110.922 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 p -62.62 -41.93 99.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.2 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.71 -40.93 97.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.195 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.03 -38.26 70.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 111.296 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.12 -44.05 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.745 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.96 -33.28 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.408 0.623 . . . . 0.0 110.113 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.69 -35.74 73.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.511 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.46 -23.73 67.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.07 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.49 -9.45 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -85.67 -20.41 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.339 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--N 1.32 -0.699 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.396 -175.895 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.042 0.449 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.6 tp -96.95 99.81 11.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.296 0.57 . . . . 0.0 109.856 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.404 HG22 ' HD2' ' A' ' 9' ' ' HIS . 47.9 t -80.39 110.69 16.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.238 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.0 mt -88.1 -41.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.126 0.489 . . . . 0.0 110.043 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -154.82 175.5 13.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -61.33 -32.85 72.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -103.89 9.74 36.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.689 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -136.55 118.19 19.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.872 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.404 ' HD2' HG22 ' A' ' 3' ' ' VAL . 54.2 m80 -132.2 136.02 46.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.933 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 80.4 mt -108.45 105.51 56.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.305 175.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 25.6 Cg_exo -64.17 141.8 77.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.991 2.461 . . . . 0.0 112.331 177.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.85 -41.62 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.641 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.73 67.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.598 -176.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 96.5 mt-10 -89.45 3.72 51.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.242 0.544 . . . . 0.0 111.106 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.0 mt -119.47 121.8 67.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.573 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 14.8 tp10 -99.43 109.05 21.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.878 0.371 . . . . 0.0 110.404 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.41 123.87 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.637 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -126.26 157.78 37.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.384 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.97 135.1 54.29 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 34' ' ' SER . 60.6 mt -98.19 103.42 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 . . . . . 0 C--N 1.316 -0.891 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.503 174.652 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 20' ' ' ILE . 6.7 m . . . . . 0 N--CA 1.447 -0.601 0 CA-C-O 120.744 0.307 . . . . 0.0 111.345 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.521 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 17.9 p -103.83 12.3 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.709 -176.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 126.76 35.76 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.153 0.501 . . . . 0.0 110.421 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.7 mtp -106.99 152.8 23.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.756 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.637 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 46.7 t-80 -120.92 122.91 41.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.81 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . 8.9 mp -114.06 133.08 55.76 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.1 ttt180 -122.34 109.63 14.67 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.394 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.52 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 71.1 t80 -109.37 109.21 20.02 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.02 87.33 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.878 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 56.9 mt -56.37 -40.44 66.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.264 0.554 . . . . 0.0 110.197 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -56.49 -52.6 64.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.06 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.34 -22.2 35.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.409 -172.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -59.5 160.26 7.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.221 0.534 . . . . 0.0 112.001 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 t -81.29 14.3 2.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.597 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 60.9 mt -62.89 141.73 97.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.138 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.25 150.41 88.66 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.677 2.251 . . . . 0.0 111.88 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.8 -39.33 77.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.387 2.725 . . . . 0.0 113.006 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.18 -46.52 68.99 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.26 0.552 . . . . 0.0 111.119 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.08 -44.41 65.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 97.9 mttt -59.89 -53.33 59.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.631 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -55.5 -44.16 76.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -71.43 -31.65 67.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.465 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -73.31 -45.32 56.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.581 . . . . 0.0 110.667 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 89.8 mt -59.36 -40.11 85.41 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.19 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.22 31.16 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.092 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.9 tp -83.73 161.73 20.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -84.88 4.9 31.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.624 0.726 . . . . 0.0 110.242 -178.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' HB2' ' A' ' 63' ' ' ARG . 7.3 t70 -84.92 117.97 24.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.229 -175.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m -76.31 0.29 19.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.173 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.437 ' HB2' ' OD1' ' A' ' 61' ' ' ASP . 17.0 mtm180 -92.57 -6.17 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.0 109.931 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.8 mt -98.8 115.11 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.184 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 p -76.9 154.43 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.267 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -74.19 0.26 14.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.426 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.26 -5.53 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.465 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.401 ' HA2' ' CD2' ' A' ' 57' ' ' LEU . . . 91.18 34.88 7.32 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.897 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.16 131.72 65.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.52 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 13.3 tt -104.24 129.19 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 110.052 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.6 t -118.94 132.12 69.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.562 ' HG ' ' HB2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -141.81 159.08 42.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.43 0.633 . . . . 0.0 111.383 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -127.48 105.57 8.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.54 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.67 102.67 15.42 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.009 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 25.52 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.706 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -72.69 -43.68 62.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.875 -176.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -92.41 174.34 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 tpt85 -74.83 -32.55 61.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 p -124.78 164.0 20.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.521 ' HG3' ' HA ' ' A' ' 35' ' ' SER . 50.1 mt-30 -63.78 -56.4 15.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.452 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.48 -33.85 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.651 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -76.19 -40.06 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.719 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -62.54 -29.41 70.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.445 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 84' ' ' ARG . 29.3 ttt180 -57.68 -55.11 39.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.407 176.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.61 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.954 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.94 -53.33 52.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.69 85.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.468 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -36.71 82.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -70.69 -44.16 67.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.537 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.9 -51.63 38.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 p -60.18 -44.28 95.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.98 -39.83 87.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.103 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.31 -46.47 88.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.74 -46.31 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 111.043 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 92' ' ' SER . 23.3 t -73.05 -36.04 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -69.02 -33.52 73.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.167 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.48 -23.62 66.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.22 -24.43 64.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.89 -11.57 58.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.196 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 N--CA 1.447 -0.609 0 CA-C-O 121.151 0.501 . . . . 0.0 111.144 -175.726 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.481 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 50.9 ttm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 55.3 tp -84.54 99.5 10.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -85.34 109.77 18.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.061 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -90.96 -41.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.038 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -153.85 -175.48 5.39 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -66.87 -42.96 84.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.17 8.42 43.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.95 118.24 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 110.506 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.481 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 31.6 m80 -135.59 139.72 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.621 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.8 mt -117.12 116.41 37.68 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.72 0.295 . . . . 0.0 110.964 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 22.3 Cg_exo -65.33 145.0 82.43 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 123.05 2.5 . . . . 0.0 112.206 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.32 -38.27 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.187 0.518 . . . . 0.0 110.931 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -27.78 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.779 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -83.45 -2.47 55.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.365 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -117.19 115.25 48.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.952 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.593 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 20.6 tt0 -83.34 115.73 22.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.83 0.348 . . . . 0.0 110.953 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.23 108.35 18.93 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.468 ' OG1' ' HB3' ' A' ' 38' ' ' HIS . 7.3 p -126.77 156.58 40.99 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.362 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.49 135.71 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.233 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 38' ' ' HIS . 63.2 mt -106.74 112.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.383 . . . . 0.0 110.733 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 . . . . . 0 C--N 1.321 -0.654 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.248 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.444 -0.743 0 CA-C-O 120.655 0.264 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 13.3 p -81.2 20.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.946 0.403 . . . . 0.0 111.635 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.47 110.53 18.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.545 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 84.6 mmm -97.13 150.61 20.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.054 175.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.535 ' HB2' HD11 ' A' ' 20' ' ' ILE . 57.8 t-80 -122.31 135.78 54.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.2 mp -123.63 143.66 50.1 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.53 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.593 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 7.7 tpt180 -135.86 127.82 29.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.638 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -144.34 102.01 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.317 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.82 103.26 5.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 56' ' ' LEU . 64.4 mt -58.98 -45.19 92.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.153 0.501 . . . . 0.0 110.159 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -57.86 -45.12 86.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.31 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.59 11.43 39.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -170.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 p -91.41 175.98 6.73 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.022 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m -85.97 16.33 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.982 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.589 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 67.4 mt -68.62 143.55 95.24 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.715 0.293 . . . . 0.0 111.049 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 27.9 Cg_exo -63.87 147.94 91.99 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.794 2.329 . . . . 0.0 112.02 175.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 76.8 Cg_exo -52.19 -39.67 70.91 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 -176.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -58.6 -45.53 88.94 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.006 0.431 . . . . 0.0 110.883 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.44 -45.17 95.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.462 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.589 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 98.9 mttt -64.41 -36.89 85.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.166 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.69 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 111.278 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -58.35 -34.8 71.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.564 HD13 HD13 ' A' ' 43' ' ' ILE . 77.4 mt -73.07 -46.35 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.407 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.8 mt -63.94 -21.82 66.65 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.797 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.38 30.49 7.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.93 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 60' ' ' ASN . 0.4 OUTLIER -90.37 155.5 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.793 178.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' H ' HD23 ' A' ' 59' ' ' LEU . 65.2 t30 -84.93 13.47 5.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.946 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.99 140.76 30.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.487 -175.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.4 m -100.07 -0.98 38.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.41 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -79.77 -36.88 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.503 HG12 HD11 ' A' ' 70' ' ' ILE . 79.8 mt -64.03 112.99 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.279 172.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.3 p -76.41 163.34 27.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.055 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.0 m -62.39 -25.94 68.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.82 -15.54 59.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.399 0.619 . . . . 0.0 110.695 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.36 46.97 4.8 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -175.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.404 HG11 ' CZ ' ' A' ' 40' ' ' ARG . 48.7 t -128.74 139.52 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.686 0.279 . . . . 0.0 111.427 -176.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.503 HD11 HG12 ' A' ' 64' ' ' ILE . 35.2 mm -105.65 127.96 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.982 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.44 132.45 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.7 mp -130.74 161.26 32.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.202 0.525 . . . . 0.0 111.13 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 37' ' ' MET . 18.2 ptpt -153.29 115.1 4.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.428 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.38 121.35 44.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.178 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.04 19.71 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.956 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -68.8 -58.89 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.905 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.94 170.04 16.77 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -76.47 -15.27 59.95 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.212 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.7 p -118.1 149.35 41.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.936 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 91.9 mt-30 -70.63 -31.87 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.3 -52.03 65.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.58 -34.94 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.03 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.98 -37.85 87.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.15 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.446 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 40.2 ttt180 -65.31 -52.14 56.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.383 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.41 90.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.485 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.12 -48.19 79.58 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.68 80.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.865 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.9 mt -63.67 -44.79 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.777 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 2.2 tm? -67.64 -43.98 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.418 0.627 . . . . 0.0 109.312 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -59.91 -40.73 89.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.049 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 95' ' ' ILE . 37.0 tp -66.97 -51.55 53.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.482 ' HB3' HD21 ' A' ' 2' ' ' LEU . 10.8 p -61.79 -40.79 96.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.906 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -58.43 -45.8 87.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.878 175.018 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.51 -40.09 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.864 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 91' ' ' LEU . 85.1 mt -58.78 -45.3 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.724 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.74 -44.67 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.18 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HB1' HD21 ' A' ' 56' ' ' LEU . . . -62.26 -33.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.791 -177.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.43 60.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -95.58 -25.73 16.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.975 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.91 -173.598 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 48.2 ttm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.735 0.303 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp -118.45 116.17 26.14 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.656 0.741 . . . . 0.0 109.457 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.93 111.15 18.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.1 mt -85.95 -45.24 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.376 0.607 . . . . 0.0 109.542 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -146.44 -178.46 6.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.801 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -69.93 -33.13 71.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.125 0.488 . . . . 0.0 110.867 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -99.9 0.34 41.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.163 0.506 . . . . 0.0 110.802 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -129.06 117.84 45.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.289 0.566 . . . . 0.0 110.971 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.438 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 9.4 m80 -134.21 123.45 24.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.506 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.4 mt -102.77 134.31 19.94 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.65 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 5.3 Cg_exo -80.46 139.22 12.75 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.388 2.726 . . . . 0.0 111.866 174.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.64 -39.79 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.657 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -28.35 62.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -86.24 0.77 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.275 0.56 . . . . 0.0 111.024 -174.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -118.94 108.66 24.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.777 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.4 tp10 -82.02 105.32 13.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.18 0.514 . . . . 0.0 110.787 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -96.66 109.1 21.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.529 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.616 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m -116.63 153.84 31.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.23 125.89 51.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.21 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -90.2 113.14 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.367 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.729 178.861 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m . . . . . 0 N--CA 1.444 -0.757 0 CA-C-O 121.172 0.511 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.6 p -83.98 5.56 25.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 106.31 1.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.484 0.659 . . . . 0.0 111.619 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.763 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 86.0 mmm -97.19 143.5 27.93 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.24 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.616 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 29.3 t-80 -108.35 119.32 39.16 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.903 175.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 2.7 mm? -107.77 121.83 45.52 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 -176.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 16.5 ttt180 -121.19 103.52 9.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.644 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.504 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 83.6 t80 -97.07 117.6 31.61 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.91 127.24 33.33 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.8 mt -103.87 -13.6 8.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-O 121.284 0.564 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.458 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.1 t-20 -88.28 -55.04 3.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.58 20.62 11.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.973 -173.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -91.4 160.39 15.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.933 0.397 . . . . 0.0 111.41 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -80.06 5.99 12.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.669 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.436 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 91.5 mt -58.66 131.33 85.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.999 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 52' ' ' TYR . 10.2 Cg_endo -54.4 150.98 31.67 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.064 2.51 . . . . 0.0 112.312 176.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 73.7 Cg_exo -50.25 -36.69 47.55 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.434 2.756 . . . . 0.0 112.973 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.487 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.2 t80 -57.31 -48.88 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.514 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 25.8 m-85 -70.74 -37.48 73.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.011 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 13.2 mmtm -50.91 -56.3 13.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 110.771 174.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.3 -47.39 86.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.739 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 27.7 mmm180 -61.51 -40.88 96.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.793 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.96 -44.71 79.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.594 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -65.13 -27.85 69.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.47 19.56 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 60' ' ' ASN . 14.2 tp -78.42 169.74 17.76 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 120.962 0.411 . . . . 0.0 110.206 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.409 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 4.7 t30 -93.13 10.46 31.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.373 0.606 . . . . 0.0 110.71 -177.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -93.33 118.78 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.8 m -76.22 -7.53 55.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.197 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -79.79 -15.93 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.255 0.55 . . . . 0.0 109.518 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.65 116.72 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.095 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 153.11 17.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.2 m -68.2 -11.19 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.02 -14.4 61.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.611 0.72 . . . . 0.0 109.917 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 44' ' ' ASN . . . 92.76 32.32 8.11 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.309 178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.411 HG13 ' HG3' ' A' ' 40' ' ' ARG . 47.7 t -134.57 134.11 54.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.674 0.273 . . . . 0.0 110.542 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.504 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 10.5 tt -115.22 124.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.8 t -108.61 132.65 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 4.2 mp -133.76 161.78 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.97 0.414 . . . . 0.0 110.404 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -127.6 114.18 17.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.366 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -96.9 101.44 13.02 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.497 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -138.82 13.28 2.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.548 0.689 . . . . 0.0 109.599 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -80.89 -41.7 22.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.377 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.39 171.58 9.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.924 0.392 . . . . 0.0 111.645 -177.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.74 -34.64 21.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.15 -173.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.7 p -106.44 152.38 23.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.943 0.401 . . . . 0.0 110.966 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.564 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 89.3 mt-30 -66.07 -34.58 78.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.291 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 37.8 tt0 -59.7 -47.05 87.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.54 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -65.52 -38.27 89.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.044 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 63.8 m-20 -65.61 -32.44 74.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.75 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 99.8 mtt180 -62.4 -52.91 61.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.986 0.422 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.39 98.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.241 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.81 -43.16 94.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.76 92.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.887 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.4 mt -65.16 -38.0 89.17 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.137 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.6 -53.15 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 95' ' ' ILE . 8.7 tp -60.94 -47.59 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.266 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -66.13 -38.29 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.468 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -59.22 -48.31 82.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.182 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.88 -44.39 86.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.639 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 91' ' ' LEU . 81.6 mt -63.79 -42.83 97.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.8 t -72.9 -41.16 60.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.138 0.494 . . . . 0.0 110.61 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 63.1 m-20 -65.25 -28.16 69.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.84 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -24.09 50.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.622 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.29 -20.75 25.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.877 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 97' ' ' ASN . 44.0 mtpt -95.36 -26.04 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.417 0.627 . . . . 0.0 111.113 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.9 mt . . . . . 0 N--CA 1.444 -0.759 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.953 175.022 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.846 HD23 HD12 ' A' ' 10' ' ' LEU . 42.2 tp -86.32 94.46 9.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 109.754 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.54 113.21 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.404 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.54 -39.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 110.324 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 m -156.99 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.581 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.41 -52.5 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.735 0.302 . . . . 0.0 110.812 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -88.07 -0.04 56.57 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.318 0.58 . . . . 0.0 111.038 -174.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.39 116.46 47.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.335 0.588 . . . . 0.0 110.783 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -139.55 142.15 37.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.846 HD12 HD23 ' A' ' 2' ' ' LEU . 78.2 mt -117.31 104.0 50.7 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.771 0.32 . . . . 0.0 110.183 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.78 141.94 97.75 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.266 2.644 . . . . 0.0 112.592 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -52.34 -40.24 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.041 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.03 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.615 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -84.86 1.95 44.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.006 0.431 . . . . 0.0 111.069 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -120.11 135.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.797 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 9.9 tp10 -100.96 108.97 20.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.773 0.321 . . . . 0.0 110.19 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 39' ' ' LEU . 6.3 mp -103.57 108.75 20.16 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.049 0.452 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.69 161.0 22.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.919 -176.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.72 145.57 28.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.51 106.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.411 . . . . 0.0 110.176 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 179.826 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 N--CA 1.447 -0.619 0 CA-C-O 120.964 0.412 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 t -103.24 7.06 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.718 0.771 . . . . 0.0 109.701 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -75.35 119.06 18.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.215 -175.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.512 ' HE3' ' HB3' ' A' ' 80' ' ' GLN . 13.0 mmt -97.98 154.6 17.57 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.615 174.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -122.95 126.1 46.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.628 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 17' ' ' LEU . 7.2 mp -127.49 129.93 48.3 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 62.8 ttt180 -115.17 125.9 53.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 174.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.58 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 74.0 t80 -119.93 105.93 11.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.512 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.94 113.52 19.2 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.782 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 70.2 mt -74.96 -27.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.298 0.57 . . . . 0.0 110.497 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -73.04 -53.48 11.02 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.393 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.45 -1.46 58.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -81.04 170.0 16.77 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.722 -177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 m -82.1 17.78 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.05 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.89 129.11 81.7 Favored Pre-proline 0 C--O 1.233 0.217 0 CA-C-N 116.686 -0.233 . . . . 0.0 110.83 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 43.0 Cg_exo -57.12 142.37 94.32 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.497 2.132 . . . . 0.0 111.16 176.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.498 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 96.6 Cg_exo -44.37 -50.2 8.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.693 2.928 . . . . 0.0 113.252 -174.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.16 -48.51 67.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.01 0.433 . . . . 0.0 111.44 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HD2' ' HB2' ' A' ' 49' ' ' PRO . 98.1 m-85 -74.73 -36.16 62.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.368 -176.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 40.2 ttmt -64.05 -43.7 94.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.655 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 10.5 mm-40 -62.03 -46.68 88.13 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.272 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -54.53 -44.05 72.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.633 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.43 -44.61 62.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.63 -38.28 90.53 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.245 0.545 . . . . 0.0 111.151 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.68 32.85 3.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.417 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 98' ' ' ALA . 13.2 tp -92.03 173.87 7.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.736 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -103.46 12.12 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.06 125.75 34.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.565 -174.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.7 m -81.7 -2.53 50.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.318 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -82.55 -17.89 43.35 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.489 0.661 . . . . 0.0 109.266 173.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 70' ' ' ILE . 60.8 mt -96.95 118.25 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.438 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -70.1 153.74 42.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.49 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m -66.36 -5.68 11.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.103 -174.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -101.94 -12.93 17.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.951 0.405 . . . . 0.0 110.816 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 36.72 5.42 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.115 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.5 130.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 50.1 mm -103.16 121.66 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.174 177.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -122.84 121.87 64.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.76 165.0 12.03 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.583 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -134.97 104.56 6.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.128 -1.396 . . . . 0.0 108.089 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -101.36 102.1 12.86 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -140.88 29.12 1.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 109.84 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.92 -26.03 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.641 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -111.06 165.63 11.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.628 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -64.16 -50.32 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.708 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -99.52 139.99 34.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.125 0.488 . . . . 0.0 112.279 -173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.512 ' HB3' ' HE3' ' A' ' 37' ' ' MET . 78.1 mt-30 -54.21 -40.91 68.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.847 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.37 -40.29 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.776 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -75.24 -32.49 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.335 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -61.64 -37.23 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.663 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HG3' ' HG3' ' A' ' 37' ' ' MET . 62.1 mtt180 -61.94 -39.57 92.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 110.899 175.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.12 72.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.987 0.422 . . . . 0.0 110.757 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.78 -48.25 78.31 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.398 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.563 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . . . -59.08 -38.04 78.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.625 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -40.32 83.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.894 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.47 -52.57 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.113 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.563 ' HD3' ' HA ' ' A' ' 87' ' ' ALA . 9.1 ptm180 -67.2 -27.71 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.944 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 6.0 tt -65.8 -50.41 64.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -65.71 -34.52 78.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.22 -50.67 73.12 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.59 -48.87 65.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.59 -51.05 70.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.914 -175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.8 t -76.94 -38.84 29.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.015 0.436 . . . . 0.0 111.304 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.44 -46.75 53.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.897 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.619 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -75.6 -21.69 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.09 -3.52 30.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -91.73 -12.75 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.948 -176.065 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.96 0.41 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 10' ' ' LEU . 47.9 tp -89.79 96.78 10.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.0 109.656 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -81.63 110.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.881 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.29 -45.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 109.565 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.527 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 32.8 t -136.0 177.45 7.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.98 -50.56 73.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.738 0.304 . . . . 0.0 110.951 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -103.05 10.09 38.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.441 0.639 . . . . 0.0 110.895 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 5' ' ' SER . 58.9 t -123.12 116.7 49.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.182 0.515 . . . . 0.0 109.821 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -134.19 144.2 48.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.741 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 2' ' ' LEU . 65.4 mt -109.66 117.63 52.1 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . 0.78 ' HG2' ' HB2' ' A' ' 14' ' ' GLU . 10.3 Cg_endo -57.52 145.76 87.21 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.78 2.32 . . . . 0.0 112.004 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.05 -38.06 75.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.019 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.25 -6.11 49.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.122 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.78 ' HB2' ' HG2' ' A' ' 11' ' ' PRO . 20.3 tt0 -94.93 -0.86 53.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.851 0.834 . . . . 0.0 110.125 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.45 100.82 11.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.685 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.958 ' HG2' ' HE ' ' A' ' 40' ' ' ARG . 8.2 tp10 -87.5 101.8 13.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.501 -175.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.484 HD23 ' HG ' ' A' ' 39' ' ' LEU . 87.5 mt -108.6 110.36 21.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.703 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.618 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -111.31 157.26 20.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.956 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HA ' ' HE2' ' A' ' 37' ' ' MET . . . -107.73 122.45 46.77 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.2 mt -81.39 101.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 109.699 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 . . . . . 0 C--N 1.319 -0.729 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -178.465 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.441 -0.882 0 CA-C-O 121.397 0.618 . . . . 0.0 111.822 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 8.7 p -83.16 11.05 6.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.217 177.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -76.64 120.04 21.27 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.016 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.528 ' HE2' ' HA ' ' A' ' 19' ' ' ALA . 4.0 mmt -95.43 140.97 29.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.465 175.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 16.4 t-80 -105.7 121.62 44.39 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.743 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.484 ' HG ' HD23 ' A' ' 17' ' ' LEU . 6.7 mp -120.57 140.77 51.02 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.994 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.958 ' HE ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 ptt180 -134.64 98.89 4.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.37 0.605 . . . . 0.0 110.16 173.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.489 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.2 t80 -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.49 111.73 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.078 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 56' ' ' LEU . 70.5 mt -69.29 -26.74 32.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.796 -176.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.91 -46.27 37.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 -175.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.89 -10.13 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 p -63.95 150.4 45.18 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -75.89 26.96 0.11 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.7 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.7 mt -88.73 142.17 30.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -63.89 155.17 65.61 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.449 2.099 . . . . 0.0 112.301 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.521 ' HA ' ' HB2' ' A' ' 53' ' ' LYS . 54.0 Cg_exo -53.14 -30.82 51.98 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.115 2.543 . . . . 0.0 112.098 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -49.76 -50.19 45.45 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.848 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -76.04 -39.18 56.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.787 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.7 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 94.2 mttt -60.24 -37.83 81.57 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 46.1 mt-10 -57.87 -49.42 76.77 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.287 0.565 . . . . 0.0 111.209 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 78.5 mtt85 -75.4 -23.94 57.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.335 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 43' ' ' ILE . 88.5 mt -71.04 -44.11 66.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 110.301 172.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.49 -47.06 83.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.397 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.91 33.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.465 -177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.2 mt -76.98 160.91 28.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.605 0.717 . . . . 0.0 110.648 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -93.66 15.35 16.5 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HB3' HG12 ' A' ' 64' ' ' ILE . 11.2 t70 -97.73 153.6 18.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.849 -171.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.5 m -85.82 -13.4 48.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.598 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.982 0.42 . . . . 0.0 110.646 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.425 HD13 HD11 ' A' ' 70' ' ' ILE . 40.6 mm -71.11 106.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.985 177.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -96.23 165.11 12.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 m -72.15 -21.48 61.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.161 0.505 . . . . 0.0 109.957 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.559 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.93 42.62 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.562 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.46 131.04 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.978 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.596 HG22 HD11 ' A' ' 72' ' ' LEU . 30.7 mm -97.99 108.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.776 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.0 t -103.7 127.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.596 HD11 HG22 ' A' ' 70' ' ' ILE . 2.7 mp -125.16 156.4 38.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.51 0.672 . . . . 0.0 111.231 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.52 104.35 6.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.645 172.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.65 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -86.76 102.21 14.04 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.99 -175.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -122.84 20.03 10.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.544 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -68.63 -56.34 8.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.037 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -87.51 164.68 16.0 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' A' ' 78' ' ' ARG . 17.1 tpt180 -90.07 -10.9 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.221 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.77 134.65 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.505 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 90.8 mt-30 -66.21 -44.35 84.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.19 -175.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 5.8 tp10 -64.35 -32.53 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.83 -36.5 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.642 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -60.36 -36.38 77.9 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.155 0.503 . . . . 0.0 110.07 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 14.8 ttt180 -52.81 -52.24 57.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.36 175.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.15 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.001 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.1 -47.94 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.188 0.518 . . . . 0.0 110.255 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.77 89.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.226 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 82.5 mt -62.0 -40.66 96.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.696 0.284 . . . . 0.0 110.866 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.84 -51.88 65.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 0.0 110.09 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -65.14 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.373 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.75 -51.49 62.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 110.112 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 p -62.44 -36.69 83.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.107 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 2.9 mm-40 -59.6 -47.79 84.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.411 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.58 -43.36 93.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.13 -49.42 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.919 0.39 . . . . 0.0 111.066 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.38 -41.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 8.9 t-20 -61.19 -37.87 84.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.933 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.3 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -88.23 -11.87 45.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.248 0.547 . . . . 0.0 111.115 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -96.39 -22.66 17.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.996 -173.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 101' ' ' LEU . 2.5 pp . . . . . 0 C--N 1.323 -0.568 0 CA-C-O 122.109 0.957 . . . . 0.0 112.324 -174.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.571 0.224 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.823 HD23 HD12 ' A' ' 10' ' ' LEU . 48.8 tp -88.04 96.74 10.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.363 0.601 . . . . 0.0 109.773 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.7 t -79.04 110.41 14.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.159 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -93.92 -35.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.401 0.62 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -153.37 -177.53 6.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.745 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -61.11 -40.29 93.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -116.09 16.42 16.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.243 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.27 118.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 109.871 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -137.22 143.19 42.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.587 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.823 HD12 HD23 ' A' ' 2' ' ' LEU . 40.6 mt -110.88 111.02 56.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.045 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.56 139.63 59.38 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 123.184 2.589 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -37.32 71.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.456 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.29 -24.45 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.477 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -83.3 0.62 44.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.126 0.489 . . . . 0.0 111.195 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.492 HG22 ' HG ' ' A' ' 17' ' ' LEU . 62.8 mt -106.75 116.41 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.894 -178.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 6.4 tp10 -93.86 101.38 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.858 176.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.492 ' HG ' HG22 ' A' ' 15' ' ' ILE . 84.6 mt -103.39 110.11 22.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.294 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.573 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.25 152.72 37.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.215 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 132.94 52.79 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -96.5 119.76 44.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 110.139 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.5 ptt180 . . . . . 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 N--CA 1.455 -0.209 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.5 p -83.9 -3.17 57.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.725 0.298 . . . . 0.0 111.037 -178.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . . . -61.67 107.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.612 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.0 mmm -97.71 148.3 23.48 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.367 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.573 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 23.9 t-80 -110.38 128.49 55.6 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.184 176.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.528 HD22 ' HB1' ' A' ' 87' ' ' ALA . 60.8 tp -121.71 125.45 46.64 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 20.5 ttt180 -124.01 118.34 26.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.055 170.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 58.4 t80 -110.87 113.45 26.03 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.096 0.474 . . . . 0.0 109.865 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.622 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 52.3 mt -66.74 -31.89 55.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.651 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.56 -53.4 58.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.773 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.3 5.43 47.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.44 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 157.39 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.963 0.411 . . . . 0.0 111.242 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -84.05 6.23 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.916 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD12 HG23 ' A' ' 43' ' ' ILE . 50.2 mt -54.71 138.07 62.65 Favored Pre-proline 0 C--O 1.235 0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.603 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.48 147.84 92.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.986 2.457 . . . . 0.0 112.024 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.4 -42.63 40.72 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.377 2.718 . . . . 0.0 113.165 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.39 -52.81 60.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.142 0.496 . . . . 0.0 111.509 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.415 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 87.9 m-85 -64.0 -40.76 97.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.152 -177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.622 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.3 mttt -59.48 -47.13 86.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.885 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.08 -43.05 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.661 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.4 mmt180 -63.61 -42.88 98.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.737 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' HG21 ' A' ' 64' ' ' ILE . 92.9 mt -60.89 -46.91 88.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.44 -24.12 67.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.176 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.62 5.64 47.63 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 22.5 mt -72.65 156.93 38.46 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.098 0.475 . . . . 0.0 111.91 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -92.63 15.29 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.338 1.066 . . . . 0.0 108.917 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HB3' HG12 ' A' ' 64' ' ' ILE . 18.9 t70 -79.92 122.62 26.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.956 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 m -74.83 -10.95 59.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.117 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -85.14 -20.08 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.241 0.543 . . . . 0.0 109.809 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.509 HG21 ' O ' ' A' ' 56' ' ' LEU . 43.7 mm -80.26 127.57 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.013 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.7 p -100.53 154.54 18.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.263 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.7 m -69.44 -20.86 63.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.962 0.41 . . . . 0.0 110.685 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.57 -14.77 60.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.691 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.51 8.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.827 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.18 128.57 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.83 0.348 . . . . 0.0 110.822 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.652 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 49.9 mm -98.27 112.68 30.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.443 ' C ' HD12 ' A' ' 72' ' ' LEU . 25.3 t -123.47 117.89 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.04 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 71' ' ' VAL . 9.6 mp -128.59 174.55 9.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.15 0.5 . . . . 0.0 111.205 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -136.6 109.32 7.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.52 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.18 104.72 13.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.493 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -131.96 26.68 4.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.186 0.517 . . . . 0.0 110.25 176.327 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -62.06 -47.75 83.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.601 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.73 163.14 13.31 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -177.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -71.65 -38.26 70.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.284 176.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.8 p -92.56 133.6 35.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 97.6 mt-30 -65.79 -31.29 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.333 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.64 -43.05 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.31 -36.32 79.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.39 -32.78 74.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.63 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 86.7 mtt180 -63.39 -49.64 73.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.922 0.392 . . . . 0.0 109.971 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.14 95.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.223 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.16 0.505 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.528 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -60.22 -48.28 82.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 92.3 mt -63.85 -39.0 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.21 -50.7 72.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm105 -60.29 -34.94 74.46 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.334 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 95' ' ' ILE . 44.3 tp -62.36 -52.13 64.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.139 0.495 . . . . 0.0 110.554 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -63.96 -40.81 97.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.539 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -59.04 -47.88 83.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.464 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.7 -44.69 86.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.865 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.9 mt -57.7 -48.29 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.38 -38.16 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.425 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 21.7 m-80 -74.61 -43.79 53.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.969 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' A' ' 59' ' ' LEU . . . -63.29 -28.08 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.62 68.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.762 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.04 -19.73 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.264 0.554 . . . . 0.0 111.302 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 84.9 mt . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.913 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.051 0.453 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 88' ' ' LEU . 3.2 mm? -92.51 105.31 17.51 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 -177.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -75.55 109.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.689 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.5 mm -94.57 -44.96 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -145.32 175.89 9.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.223 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.6 -28.29 66.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.51 . . . . 0.0 110.397 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -104.55 -1.51 26.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.321 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.97 119.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.096 0.474 . . . . 0.0 110.85 -176.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -132.64 145.13 50.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.202 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 2' ' ' LEU . 1.1 tt -108.27 105.46 56.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.6 146.2 72.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.875 2.383 . . . . 0.0 112.738 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.14 -38.81 74.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.83 -0.59 16.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.891 -1.049 . . . . 0.0 113.05 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -109.97 10.06 24.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.458 0.647 . . . . 0.0 110.855 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.76 122.76 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 171.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 35.4 tt0 -78.04 97.86 5.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.035 0.445 . . . . 0.0 111.11 -175.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -94.57 110.65 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.86 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.0 130.21 56.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.966 177.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.16 116.36 27.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.726 0.298 . . . . 0.0 111.292 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 38' ' ' HIS . 60.7 mt -94.39 115.22 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.047 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 . . . . . 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.246 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 N--CA 1.443 -0.817 0 CA-C-O 121.228 0.537 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -94.22 12.99 24.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.03 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -71.05 108.93 4.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.233 -175.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.535 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 53.5 mtp -100.03 130.03 46.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.142 0.496 . . . . 0.0 110.199 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.516 ' HB2' HD11 ' A' ' 20' ' ' ILE . 32.8 t-80 -95.78 122.04 38.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.013 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 8.3 mp -115.52 118.68 33.83 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.711 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.3 ttt180 -110.78 113.3 25.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.285 172.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -110.2 105.84 15.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.181 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.08 93.12 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.539 HD13 HD13 ' A' ' 56' ' ' LEU . 59.8 mt -58.9 -37.81 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.884 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.99 -48.78 80.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.927 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.85 18.71 13.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.086 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -87.35 158.17 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.82 0.343 . . . . 0.0 110.645 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 13.96 8.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.244 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.09 137.03 96.9 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.356 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.73 149.33 14.25 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 123.564 2.843 . . . . 0.0 113.437 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.03 -36.79 45.74 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.737 2.958 . . . . 0.0 113.385 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -53.29 -47.29 69.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.201 0.524 . . . . 0.0 110.642 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.95 -37.75 69.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 20.6 mmtm -53.62 -55.4 26.17 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.56 -49.24 76.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.542 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -44.31 80.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.796 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 64' ' ' ILE . 86.5 mt -73.34 -47.63 40.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.377 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 3.0 tt -53.3 -39.83 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.329 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.89 35.58 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 64' ' ' ILE . 19.1 tp -81.27 163.81 22.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.098 0.475 . . . . 0.0 110.796 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -90.92 9.95 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.652 0.739 . . . . 0.0 109.683 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -74.56 151.5 39.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.06 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -106.21 1.02 25.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.829 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 63' ' ' ARG . 1.9 mmp_? -107.12 -44.04 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 94' ' ' LEU . 68.0 mt -71.35 117.68 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.303 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p -89.78 157.63 17.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.001 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 p -65.98 -8.26 21.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.116 0.484 . . . . 0.0 111.522 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.9 -24.5 48.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 0.0 110.087 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.5 9.09 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.57 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.51 128.04 72.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 64' ' ' ILE . 38.2 mm -125.26 128.72 72.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.329 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.07 130.65 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.448 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.83 166.99 22.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -143.99 110.02 5.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.798 0.808 . . . . 0.0 109.667 169.46 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -88.43 108.98 19.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.867 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 20.97 2.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.083 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -77.91 -33.28 51.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.701 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -102.07 162.46 12.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -74.63 -42.97 57.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 p -84.35 127.86 34.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.236 0.541 . . . . 0.0 111.373 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -65.55 -30.97 71.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.405 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.57 -47.74 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.16 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.01 -30.49 62.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.33 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -57.49 -40.61 79.0 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.185 171.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.409 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 75.6 ttt180 -59.3 -55.44 34.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.354 0.597 . . . . 0.0 110.145 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.092 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.04 -50.93 70.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.204 0.526 . . . . 0.0 110.771 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.41 96.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.197 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.764 ' HB3' HD11 ' A' ' 2' ' ' LEU . 88.5 mt -64.92 -37.9 89.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -48.4 76.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.869 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 1.5 mpt_? -61.97 -38.24 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.115 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.54 -47.34 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -62.42 -41.82 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.94 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.13 -43.13 99.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.776 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 64' ' ' ILE . 3.3 tm? -59.73 -40.26 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.758 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.84 -45.14 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.84 -34.52 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.133 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.466 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 4.0 t-20 -55.65 -53.2 59.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.742 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.09 -25.42 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.642 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.21 -24.33 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -87.24 -25.83 23.8 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 97.2 mt . . . . . 0 C--N 1.32 -0.717 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.979 -173.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 43.6 ttm . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.748 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 43.9 tp -99.81 101.3 12.4 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-O 121.309 0.576 . . . . 0.0 109.548 178.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.6 t -75.61 117.76 20.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.59 178.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.1 mm -101.35 -53.07 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.386 0.613 . . . . 0.0 109.621 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.557 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 37.0 m -124.35 179.94 4.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.163 -0.926 . . . . 0.0 108.611 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -73.88 -36.74 64.82 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.293 -178.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -102.69 4.51 38.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.447 0.642 . . . . 0.0 110.427 -179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 83.8 t -124.37 118.02 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.23 0.538 . . . . 0.0 109.717 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.436 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 36.6 m80 -130.0 141.11 50.79 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.755 -177.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.748 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 93.6 mt -103.64 108.19 58.67 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.866 0.365 . . . . 0.0 110.383 177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -59.16 141.51 98.13 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.902 2.401 . . . . 0.0 111.755 176.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -58.65 -35.06 71.92 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.528 -177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.38 -26.37 66.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.174 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.574 ' OE2' ' HA ' ' A' ' 46' ' ' SER . 24.5 mt-10 -90.13 3.98 51.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.182 0.515 . . . . 0.0 110.724 -177.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 24.1 mt -117.88 114.84 46.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.91 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.531 ' HB3' ' O ' ' A' ' 40' ' ' ARG . 83.0 tt0 -93.02 98.57 11.43 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.046 0.451 . . . . 0.0 110.766 -176.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.6 mp -95.87 118.53 32.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.966 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -118.22 162.36 18.38 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -178.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -128.82 129.94 46.29 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.41 ' HB ' ' HB3' ' A' ' 36' ' ' ALA . 59.5 mt -92.21 118.32 37.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 121.269 0.557 . . . . 0.0 110.653 -176.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -94.63 163.16 13.49 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.27 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.43 96.85 3.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 176.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 19.3 pm0 -58.47 135.56 57.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.045 0.45 . . . . 0.0 110.909 -177.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.03 -2.9 60.04 Favored Glycine 0 N--CA 1.449 -0.491 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.594 -177.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB1' ' HB ' ' A' ' 30' ' ' VAL . . . -143.48 170.22 16.21 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.675 -0.263 . . . . 0.0 110.57 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 114.48 -16.59 19.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.386 178.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -123.98 73.61 0.4 Allowed Glycine 0 N--CA 1.448 -0.564 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.431 ' O ' ' HB2' ' A' ' 29' ' ' ASN . 36.6 tt0 69.63 132.89 0.03 OUTLIER 'General case' 0 C--O 1.235 0.303 0 C-N-CA 123.622 0.769 . . . . 0.0 110.213 -171.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' A' ' 28' ' ' GLN . 87.3 m-20 74.46 129.47 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.452 -175.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' HB ' ' HB1' ' A' ' 25' ' ' ALA . 6.1 t 52.71 86.47 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.928 -176.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 0.9 OUTLIER -114.14 80.11 1.35 Allowed 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.477 0.656 . . . . 0.0 111.157 -178.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 31' ' ' ASN . 47.5 mttp -156.55 121.81 4.71 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.849 173.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.0 p -85.65 143.19 12.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.749 -174.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 44.3 m -76.43 148.84 37.03 Favored 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 178.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.7 m -84.24 12.01 7.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.314 -178.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . . . -79.62 113.08 17.49 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.312 0.577 . . . . 0.0 111.06 -176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.6 tpt -98.02 163.49 12.74 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 175.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -138.02 134.63 35.04 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-O 121.336 0.589 . . . . 0.0 110.572 -175.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.493 HD22 ' HB1' ' A' ' 87' ' ' ALA . 57.2 tp -120.5 129.86 54.02 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 115.54 -0.755 . . . . 0.0 109.824 -178.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 71.2 ttt-85 -139.58 109.59 6.42 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.252 0.549 . . . . 0.0 110.141 176.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.566 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 88.1 t80 -116.15 113.66 23.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.843 -178.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -76.54 93.73 3.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 178.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.617 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 39.1 mt -62.42 -32.72 56.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 173.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -57.08 -52.17 66.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.723 -1.126 . . . . 0.0 111.522 178.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.51 -24.73 22.86 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -172.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.574 ' HA ' ' OE2' ' A' ' 14' ' ' GLU . 12.7 p -64.93 164.99 11.55 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.326 0.584 . . . . 0.0 112.197 -174.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 p -83.81 15.12 3.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.19 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 32.7 mt -58.91 133.52 87.0 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.295 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.22 150.22 75.5 Favored 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 122.775 2.316 . . . . 0.0 111.654 175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -48.63 -37.0 33.67 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 123.256 2.637 . . . . 0.0 112.708 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.556 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 92.3 t80 -56.26 -55.05 38.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.12 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -64.31 -38.73 92.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.617 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 95.4 mttt -60.02 -45.85 91.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.008 178.749 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -67.16 -39.68 86.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.583 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.556 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 12.3 mmm180 -60.54 -42.37 96.4 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.734 0.302 . . . . 0.0 110.975 179.341 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.594 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 94.5 mt -73.34 -47.46 42.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.431 -179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.3 -40.91 92.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.069 -178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -90.29 27.18 1.72 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.583 -177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.594 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.0 OUTLIER -82.86 163.52 21.1 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-O 121.105 0.479 . . . . 0.0 110.622 -179.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.75 16.0 20.34 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.709 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -97.86 144.47 27.4 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.303 -174.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.5 m -89.33 1.11 56.23 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.901 -0.591 . . . . 0.0 112.116 -176.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.9 mtm180 -93.69 6.77 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.519 0.676 . . . . 0.0 109.69 173.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 44.8 mm -97.83 130.96 45.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.206 174.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.6 p -102.56 156.63 17.49 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.8 t -65.15 -25.63 67.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.678 0.275 . . . . 0.0 111.349 -177.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -84.12 -9.0 58.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.971 0.415 . . . . 0.0 111.059 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.45 55.98 3.09 Favored Glycine 0 N--CA 1.444 -0.831 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.286 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.0 t -132.84 128.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 N-CA-C 109.926 -0.398 . . . . 0.0 109.926 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 47.0 mm -86.33 112.93 23.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.484 HG22 ' HG3' ' A' ' 40' ' ' ARG . 23.6 t -124.63 118.6 53.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.633 0.254 . . . . 0.0 110.505 -179.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.453 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -140.03 169.52 17.55 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.001 0.429 . . . . 0.0 110.047 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -141.24 110.31 6.2 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.835 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.426 ' HB3' ' HB3' ' A' ' 83' ' ' ASN . . . -92.27 102.48 14.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.013 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -117.13 23.44 11.86 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.007 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -85.51 -57.52 3.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.576 . . . . 0.0 112.002 -172.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -78.11 164.1 25.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.904 0.383 . . . . 0.0 111.811 -172.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' O ' ' HD3' ' A' ' 78' ' ' ARG . 3.4 tmt_? -68.01 -32.62 73.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.584 -0.735 . . . . 0.0 111.327 -175.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' A' ' 82' ' ' GLN . 16.2 p -117.1 143.44 45.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.694 0.283 . . . . 0.0 111.345 -178.487 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -62.19 -25.14 67.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.679 177.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.77 -49.67 76.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.956 0.408 . . . . 0.0 110.85 175.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.434 ' HG2' ' OG1' ' A' ' 79' ' ' THR . 84.6 mm-40 -68.12 -36.71 80.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.325 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.426 ' HB3' ' HB3' ' A' ' 74' ' ' ALA . 62.7 m-80 -68.81 -30.34 68.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.07 0.462 . . . . 0.0 110.26 177.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 57.9 ttt180 -62.99 -49.98 72.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.403 175.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.74 -41.38 99.17 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.914 178.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 28.7 t70 -57.34 -53.27 60.04 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.206 176.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.493 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -55.57 -41.77 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.976 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 88.2 mt -66.49 -43.2 86.02 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.69 0.281 . . . . 0.0 111.187 -179.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 89' ' ' LEU . 1.9 tm? -69.13 -38.39 78.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.459 0.647 . . . . 0.0 109.421 177.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.538 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 11.7 ttt180 -60.97 -45.11 96.07 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.132 -0.94 . . . . 0.0 110.375 179.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.482 ' O ' HG13 ' A' ' 95' ' ' ILE . 55.9 tp -62.68 -52.08 64.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.973 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 p -62.49 -42.42 99.48 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.49 -177.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.614 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 1.8 tm-20 -59.5 -47.45 85.47 Favored 'General case' 0 C--O 1.221 -0.401 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -60.2 -43.1 96.21 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.76 -179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.544 ' HA ' HD21 ' A' ' 56' ' ' LEU . 75.5 mt -63.12 -50.84 77.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.614 -0.266 . . . . 0.0 110.778 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.5 t -66.6 -34.98 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.982 0.42 . . . . 0.0 110.376 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.884 ' HA ' ' HE2' ' A' ' 100' ' ' LYS . 9.9 t-20 -56.31 -49.31 74.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.431 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 59' ' ' LEU . . . -64.68 -23.35 67.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.652 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.54 -38.25 16.17 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 111.993 0.368 . . . . 0.0 111.993 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.884 ' HE2' ' HA ' ' A' ' 97' ' ' ASN . 56.9 pttt -81.33 -21.68 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.908 0.385 . . . . 0.0 112.014 -174.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 66.3 mt -81.83 170.37 15.77 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.305 175.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.61 -41.81 6.45 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.034 0.445 . . . . 0.0 110.291 177.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.4 p-80 -168.52 -176.23 2.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.891 176.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 37.7 m80 63.97 -157.2 0.31 Allowed 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.386 0.613 . . . . 0.0 110.262 -173.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -161.27 -34.62 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 12.6 t-80 -79.42 67.08 5.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.916 175.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 48.9 t-80 -174.11 128.71 0.37 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.473 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.243 0.733 0 CA-C-O 118.394 -0.812 . . . . 0.0 110.074 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 ttm . . . . . 0 N--CA 1.48 1.036 0 CA-C-O 121.08 0.467 . . . . 0.0 110.268 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.666 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 51.1 tp -89.54 102.95 15.63 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.277 -175.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 93.7 t -83.46 110.47 18.34 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.969 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.31 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 69.6 mt -95.75 -65.05 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.0 m -107.61 171.74 7.22 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 175.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 33.9 t30 -65.12 -38.98 92.42 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.223 0.535 . . . . 0.0 110.415 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -97.14 3.4 51.64 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.751 -175.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.2 t -132.08 118.95 38.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.997 0.427 . . . . 0.0 110.56 -176.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 23.7 m80 -127.46 144.12 51.1 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.674 179.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.666 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 63.3 mt -108.81 105.05 56.4 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-O 120.751 0.31 . . . . 0.0 110.775 176.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.4 146.27 97.03 Favored 'Trans proline' 0 N--CA 1.461 -0.397 0 C-N-CA 122.693 2.262 . . . . 0.0 111.592 176.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -56.28 -32.44 64.56 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.75 -179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.86 70.01 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.938 -0.573 . . . . 0.0 112.211 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -86.14 7.26 25.6 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.127 0.489 . . . . 0.0 110.896 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.3 mt -121.22 114.82 44.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.749 177.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.535 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 12.4 tp10 -90.46 102.34 15.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.327 0.584 . . . . 0.0 110.655 -177.503 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.764 HD21 HD21 ' A' ' 88' ' ' LEU . 83.9 mt -102.05 110.18 22.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.949 178.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.59 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.76 149.16 42.97 Favored 'General case' 0 C--N 1.32 -0.707 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.304 178.365 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.43 147.75 30.03 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.792 0.329 . . . . 0.0 110.379 178.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 ' HB2' ' A' ' 38' ' ' HIS . 13.6 mt -126.92 164.99 26.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 177.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -110.1 155.6 21.69 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -123.57 169.54 11.33 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -82.22 140.76 33.49 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.538 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.13 -156.1 7.68 Favored Glycine 0 N--CA 1.443 -0.871 0 N-CA-C 111.558 -0.617 . . . . 0.0 111.558 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.544 ' H ' ' HA ' ' A' ' 31' ' ' ASN . . . 59.64 29.48 19.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.147 0.499 . . . . 0.0 111.43 179.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 160.43 151.67 6.28 Favored Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.95 18.6 8.2 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.554 -0.832 . . . . 0.0 111.989 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 70.53 112.4 0.05 Allowed 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.466 0.706 . . . . 0.0 112.232 177.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 74.7 -16.44 0.55 Allowed 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.228 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 m -101.96 95.63 4.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 121.613 0.72 . . . . 0.0 111.747 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.544 ' HA ' ' H ' ' A' ' 25' ' ' ALA . 44.0 m-80 -124.58 16.65 8.85 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.222 176.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.8 mmtm -125.85 150.24 48.03 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.491 -178.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.7 t -74.4 128.74 36.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.038 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.5 m -73.24 176.01 6.31 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.865 179.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.511 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 11.7 p -67.17 -72.33 0.17 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.278 177.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 49.34 82.47 0.05 OUTLIER 'General case' 0 C--O 1.225 -0.237 0 O-C-N 124.033 0.833 . . . . 0.0 111.96 176.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.455 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 79.7 mtp -110.9 149.24 30.9 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.262 0.553 . . . . 0.0 111.109 -179.579 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.59 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 17.7 t-80 -96.57 117.37 30.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.368 174.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -106.71 118.68 37.31 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-N 115.089 -0.96 . . . . 0.0 109.328 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.548 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 44.9 ttt180 -126.19 123.75 38.92 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.202 0.525 . . . . 0.0 110.842 177.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.536 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.7 t80 -132.84 104.49 6.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.295 175.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -78.39 89.8 4.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.361 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.567 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 54.5 mt -56.45 -41.36 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.29 0.567 . . . . 0.0 110.056 179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -54.54 -48.34 72.12 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.062 178.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -85.52 -23.79 27.57 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.41 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.1 p -63.72 155.83 28.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.242 0.544 . . . . 0.0 111.496 -176.566 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.7 17.12 0.96 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.983 -177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.528 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 64.1 mt -62.1 142.22 95.59 Favored Pre-proline 0 C--O 1.235 0.336 0 CA-C-O 120.599 0.238 . . . . 0.0 110.446 175.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.87 139.81 90.0 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.399 2.066 . . . . 0.0 111.394 175.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.84 -31.41 42.4 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 123.253 2.635 . . . . 0.0 112.49 -178.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.607 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 88.9 t80 -54.03 -51.87 62.66 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 176.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -65.9 -37.62 86.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.979 -179.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.567 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 99.2 mttt -60.58 -44.66 95.95 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.678 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.1 -46.23 91.45 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.752 177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.607 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 6.9 mmm180 -59.22 -47.34 85.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.938 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 91.8 mt -64.98 -44.27 89.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.283 -178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.4 tt -61.12 -42.27 98.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.497 177.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -84.44 21.08 1.53 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.868 -176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.543 HD21 ' HB1' ' A' ' 98' ' ' ALA . 0.2 OUTLIER -80.45 163.97 23.4 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.025 0.44 . . . . 0.0 109.894 178.48 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.466 ' H ' HD13 ' A' ' 59' ' ' LEU . 9.1 t30 -90.28 13.52 15.12 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.62 0.724 . . . . 0.0 110.401 -178.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -96.02 141.61 29.23 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.315 -176.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 25.2 m -104.63 6.04 34.13 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.133 -176.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HD2' ' H ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -97.08 -31.66 12.38 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 174.582 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.1 mt -68.49 109.1 1.69 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.959 -1.019 . . . . 0.0 109.092 168.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 41.3 p -68.66 152.16 45.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.234 -175.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.8 p -76.85 -2.83 35.41 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.951 -178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.14 -12.91 31.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.22 175.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.69 47.47 6.3 Favored Glycine 0 N--CA 1.445 -0.708 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.065 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.7 t -130.22 123.92 56.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.548 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 36.2 mm -97.33 112.48 29.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.241 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 45.0 t -134.52 111.63 14.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.19 0.519 . . . . 0.0 110.487 177.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.5 mp -134.67 168.97 18.04 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.63 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' MET . 61.0 mttp -128.62 107.14 9.45 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 175.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -98.55 116.79 31.56 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.707 -173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -123.2 26.41 8.01 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.405 176.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -72.72 -44.83 61.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.57 -171.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.613 ' HD1' ' H ' ' A' ' 79' ' ' THR . 6.0 t80 -92.95 159.06 15.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.753 0.311 . . . . 0.0 110.462 -177.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' C ' ' HD3' ' A' ' 78' ' ' ARG . 0.0 OUTLIER -70.38 -45.27 66.37 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.197 -178.439 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.613 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 5.4 p -97.99 149.9 21.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.649 0.262 . . . . 0.0 110.963 -178.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.511 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.3 mt-30 -70.95 -48.95 50.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.595 -175.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -37.41 85.99 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.646 0.239 . . . . 0.0 111.646 -176.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -74.7 -32.89 62.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.754 177.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.604 ' HB2' ' HB3' ' A' ' 77' ' ' TYR . 9.1 t30 -69.7 -37.59 76.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 176.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 22.5 ttp180 -54.49 -56.71 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.827 172.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -56.29 -41.02 75.22 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.391 178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.75 -50.99 68.9 Favored 'General case' 0 CA--C 1.519 -0.25 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.589 179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -55.69 -43.57 76.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.28 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.764 HD21 HD21 ' A' ' 17' ' ' LEU . 89.1 mt -63.86 -44.4 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 0.0 111.06 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 32.4 tp -66.88 -41.41 87.25 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.286 0.565 . . . . 0.0 110.087 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -61.88 -42.02 98.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.073 -0.967 . . . . 0.0 110.459 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.7 tp -65.16 -50.98 63.86 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.577 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.427 ' HB2' HD21 ' A' ' 2' ' ' LEU . 28.1 t -56.37 -43.27 79.04 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.78 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -58.28 -51.48 69.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.934 177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -52.22 -46.32 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.57 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 81.3 mt -55.58 -52.49 46.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.583 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.3 t -73.79 -43.38 53.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.174 0.511 . . . . 0.0 111.138 -178.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 59.1 t30 -63.51 -44.16 95.09 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.67 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.543 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -74.8 -15.58 60.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.553 -177.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.03 -31.15 70.61 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.709 0.29 . . . . 0.0 111.421 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -11.16 37.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.621 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 98' ' ' ALA . 79.7 mt -77.03 103.86 7.2 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.086 0.469 . . . . 0.0 111.991 -173.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.78 -28.42 9.22 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.545 0.688 . . . . 0.0 109.41 168.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.2 m80 -81.66 80.34 8.02 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.24 -0.891 . . . . 0.0 109.879 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 21.3 p80 -82.04 104.45 12.4 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 121.421 0.629 . . . . 0.0 110.651 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.6 m-70 -76.02 136.46 39.95 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.63 80.58 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.675 0.75 . . . . 0.0 110.048 177.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.448 ' HB3' ' H ' ' A' ' 108' ' ' HIS . 4.0 t-80 66.42 -90.23 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 114.205 -1.361 . . . . 0.0 109.72 -174.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.448 ' H ' ' HB3' ' A' ' 107' ' ' HIS . 1.8 p-80 . . . . . 0 C--O 1.244 0.812 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.1 ttm . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.657 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 47.3 tp -103.9 104.49 14.48 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.191 0.519 . . . . 0.0 109.845 -179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.1 t -75.16 115.28 16.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.468 -0.787 . . . . 0.0 110.597 178.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.5 mm -95.04 -53.64 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.224 0.535 . . . . 0.0 110.13 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.1 t -141.48 -175.73 4.47 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.343 -179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -59.89 -44.25 94.34 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.812 0.339 . . . . 0.0 111.539 -175.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -112.07 15.8 20.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.068 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 50.1 t -124.25 118.34 53.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.246 0.546 . . . . 0.0 110.034 -178.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -132.71 144.14 50.09 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.043 -179.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.657 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 88.0 mt -110.86 108.21 57.79 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 176.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.02 143.56 79.18 Favored 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.945 2.43 . . . . 0.0 111.801 178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -56.9 -32.32 65.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.286 178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.46 -25.25 67.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.847 -0.615 . . . . 0.0 112.196 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 -92.83 4.74 53.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.074 0.464 . . . . 0.0 110.844 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.8 mt -115.07 118.08 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.393 -179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 17.1 tp10 -99.12 97.13 8.28 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.337 0.589 . . . . 0.0 110.635 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.41 HD13 ' CG ' ' A' ' 84' ' ' ARG . 57.6 mt -110.74 109.29 19.47 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.864 175.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.605 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -105.47 153.06 22.23 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.325 -176.23 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.12 116.99 32.89 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' A' ' 38' ' ' HIS . 64.5 mt -96.47 125.23 49.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.072 0.463 . . . . 0.0 110.624 -177.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -93.28 155.28 17.52 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.115 0.483 . . . . 0.0 110.786 174.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.43 ' HB1' ' OE1' ' A' ' 23' ' ' GLN . . . -112.84 -167.62 1.21 Allowed 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.725 -0.671 . . . . 0.0 109.73 178.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' OE1' ' HB1' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -72.3 132.2 43.7 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.19 0.519 . . . . 0.0 110.414 179.449 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.77 36.09 4.28 Favored Glycine 0 N--CA 1.452 -0.286 0 CA-C-N 115.612 -0.722 . . . . 0.0 112.076 -177.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -147.74 156.25 42.56 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 178.26 -167.67 38.44 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.888 -0.672 . . . . 0.0 111.675 178.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.07 -50.79 55.8 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.035 -0.602 . . . . 0.0 112.151 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.405 ' O ' ' HG2' ' A' ' 28' ' ' GLN . 31.1 tt0 -98.32 4.49 48.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.106 0.479 . . . . 0.0 110.192 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.3 t30 68.21 146.14 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.147 -175.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.7 m -125.36 103.4 11.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-O 121.341 0.591 . . . . 0.0 109.803 174.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -91.9 26.35 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.968 -175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -107.14 147.09 30.5 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.715 -178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.6 p -91.26 155.61 3.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 175.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.3 t -76.77 154.51 33.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.954 0.407 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.581 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.9 t -108.05 -1.76 20.19 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.7 -178.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -77.78 111.81 13.97 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.269 -175.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.9 mtp -100.82 148.68 24.66 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.662 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.605 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 25.8 t-80 -99.73 128.88 45.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.556 -0.747 . . . . 0.0 109.592 178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.557 HD22 ' HB1' ' A' ' 87' ' ' ALA . 41.2 tp -113.03 123.92 51.43 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.012 -178.431 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.532 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 44.9 ttt180 -127.49 120.23 27.83 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.831 -0.622 . . . . 0.0 109.596 168.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.609 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 78.4 t80 -129.13 105.94 8.51 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 175.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -72.63 99.35 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.428 179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.611 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 72.5 mt -62.46 -36.43 74.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.25 0.547 . . . . 0.0 109.73 178.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -62.73 -46.22 89.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.417 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.92 -10.55 36.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -169.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.3 p -78.24 171.8 14.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.217 0.532 . . . . 0.0 112.282 -174.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m -74.69 7.69 2.88 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.366 -0.833 . . . . 0.0 112.706 -175.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.717 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.5 mt -65.03 134.35 96.01 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-O 120.717 0.294 . . . . 0.0 110.98 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HD2' ' CD2' ' A' ' 52' ' ' TYR . 38.8 Cg_exo -62.61 150.29 88.27 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.54 2.16 . . . . 0.0 111.543 172.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -51.46 -32.03 41.27 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.147 2.565 . . . . 0.0 112.715 179.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 84.3 t80 -49.32 -50.91 37.4 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.187 0.518 . . . . 0.0 111.343 175.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.411 ' CD2' ' HD2' ' A' ' 49' ' ' PRO . 97.3 m-85 -73.93 -41.09 62.57 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.844 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.717 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.3 mttt -62.21 -40.71 96.99 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.682 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -58.84 -46.8 86.86 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.885 0.374 . . . . 0.0 111.332 178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.551 ' HB3' ' HB1' ' A' ' 98' ' ' ALA . 35.4 mmt180 -66.06 -46.74 76.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.564 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 43' ' ' ILE . 84.3 mt -63.25 -44.49 95.01 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.801 -178.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 1.3 tt -60.68 -40.03 90.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.973 0.416 . . . . 0.0 110.605 -178.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.98 26.61 6.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.858 -175.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.518 HD13 ' H ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -89.6 157.74 17.92 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.372 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.518 ' H ' HD13 ' A' ' 59' ' ' LEU . 0.2 OUTLIER -99.29 15.55 25.82 Favored 'General case' 0 C--N 1.312 -1.037 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -68.96 135.27 50.7 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.004 -177.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.6 m -84.06 4.93 27.9 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.38 -172.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.597 ' HB3' HD11 ' A' ' 72' ' ' LEU . 1.1 mmp_? -103.95 -11.87 17.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.306 0.575 . . . . 0.0 109.92 175.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.468 HG12 ' CD1' ' A' ' 70' ' ' ILE . 52.2 mt -98.61 112.5 30.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.391 -0.822 . . . . 0.0 109.517 176.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 58.2 p -82.73 165.06 20.25 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.217 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -73.06 4.96 3.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.85 0.357 . . . . 0.0 110.971 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -82.9 -19.05 38.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.304 0.573 . . . . 0.0 109.6 174.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 86.93 22.21 46.73 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.092 -174.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 55.3 t -125.65 139.03 52.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.849 0.357 . . . . 0.0 110.673 -176.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 46.6 mm -80.94 123.51 37.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.807 174.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.405 ' C ' HD12 ' A' ' 72' ' ' LEU . 24.0 t -127.58 116.2 42.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 -178.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 63' ' ' ARG . 5.8 mp -143.93 173.57 11.59 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.585 0.707 . . . . 0.0 111.767 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -132.74 110.37 10.33 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.091 -1.413 . . . . 0.0 108.473 170.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.498 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -84.94 101.55 12.44 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -136.67 19.88 3.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.284 0.564 . . . . 0.0 110.259 -177.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -81.43 -41.77 21.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.082 -174.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.402 ' HD2' ' H ' ' A' ' 79' ' ' THR . 2.1 t80 -93.75 162.49 13.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.325 0.584 . . . . 0.0 111.651 -174.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 21.4 tpt85 -65.72 -35.76 81.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.784 -1.098 . . . . 0.0 111.931 179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.402 ' H ' ' HD2' ' A' ' 77' ' ' TYR . 28.4 p -110.03 145.65 36.68 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.772 0.32 . . . . 0.0 111.561 -176.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.581 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 43.5 mt-30 -60.86 -40.05 91.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.788 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -59.44 -45.29 92.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.463 -177.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -74.69 -31.81 62.0 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.969 -178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -62.34 -44.07 97.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.025 0.44 . . . . 0.0 109.87 171.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.41 ' CG ' HD13 ' A' ' 17' ' ' LEU . 32.5 ttt180 -55.79 -51.49 67.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.506 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.12 -30.33 69.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.761 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -69.09 -46.88 66.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.59 . . . . 0.0 110.046 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.557 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -59.12 -42.36 90.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.449 176.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.65 -31.17 72.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.218 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -61.91 -54.27 44.24 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.5 ttt180 -63.33 -41.22 98.88 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.435 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.413 ' O ' HG13 ' A' ' 95' ' ' ILE . 2.9 tm? -56.5 -51.99 66.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.547 -179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.554 ' HB2' HD21 ' A' ' 2' ' ' LEU . 22.9 t -69.09 -37.16 78.27 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.249 -176.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 4.6 mm-40 -70.09 -47.23 62.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.449 -178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.405 ' HA ' HD22 ' A' ' 94' ' ' LEU . 0.5 OUTLIER -60.44 -39.31 87.04 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.118 -0.327 . . . . 0.0 110.118 -176.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 91' ' ' LEU . 55.6 mt -54.89 -50.23 63.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.978 0.418 . . . . 0.0 111.116 177.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.543 HG12 ' HE3' ' A' ' 100' ' ' LYS . 40.1 t -76.15 -34.31 26.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.825 -179.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.535 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 3.1 t-20 -64.26 -35.58 81.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.899 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.551 ' HB1' ' HB3' ' A' ' 55' ' ' ARG . . . -61.01 -21.51 63.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.777 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -76.43 -18.65 58.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.377 179.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.543 ' HE3' HG12 ' A' ' 96' ' ' VAL . 0.1 OUTLIER -89.53 -25.35 21.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.468 0.652 . . . . 0.0 109.942 178.081 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 82.9 mt -89.38 164.3 14.94 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.725 -175.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -112.22 -81.04 0.59 Allowed 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 -147.16 23.42 1.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.072 0.463 . . . . 0.0 110.473 173.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.3 m80 -81.64 117.14 21.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.92 178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -99.32 11.02 40.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.019 0.437 . . . . 0.0 111.147 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -101.59 131.75 47.62 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.113 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -145.0 97.76 3.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.917 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 55.2 t60 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.428 -0.796 . . . . 0.0 109.571 176.76 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.415 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 49.3 ttm . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.611 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 50.1 tp -97.08 95.38 7.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 175.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.8 t -79.15 116.17 22.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.242 179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -91.71 -52.94 9.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.465 -178.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.5 p -148.76 -166.27 2.51 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.349 -177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.81 -52.16 66.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.417 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -108.89 13.34 24.9 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -172.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 66.3 t -124.91 117.45 50.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.356 0.598 . . . . 0.0 110.185 177.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.415 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 43.9 m80 -133.93 133.28 41.22 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.014 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.611 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 89.2 mt -109.04 112.92 59.69 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-O 120.686 0.279 . . . . 0.0 110.628 -179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.452 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 27.2 Cg_exo -61.98 142.01 91.32 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 122.624 2.216 . . . . 0.0 111.171 175.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -55.15 -39.02 69.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.531 0.682 . . . . 0.0 110.703 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.08 -11.7 57.87 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.004 -0.998 . . . . 0.0 113.348 -177.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 23.4 mt-10 -86.81 -5.4 59.12 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 121.48 0.657 . . . . 0.0 110.167 177.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.9 mt -108.88 111.73 37.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.303 178.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.572 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.6 tp10 -86.52 104.06 15.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.129 0.49 . . . . 0.0 110.187 -178.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.7 mt -96.38 110.47 22.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.36 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.583 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 3.7 m -115.44 155.05 28.15 Favored 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -123.39 132.43 53.96 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.377 -178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -115.03 119.46 61.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.847 0.356 . . . . 0.0 110.576 -177.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 13.5 ptt180 -87.16 165.48 15.7 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.643 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -77.27 135.4 38.43 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -167.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -97.32 135.06 39.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 169.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' O ' ' HA ' ' A' ' 29' ' ' ASN . . . -140.39 60.12 0.57 Allowed Glycine 0 C--N 1.315 -0.611 0 C-N-CA 120.09 -1.052 . . . . 0.0 113.563 -171.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -97.65 163.84 12.67 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 174.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 102.02 -136.14 12.62 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.725 179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -85.22 -11.33 76.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.139 -175.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.508 ' HG2' HG13 ' A' ' 30' ' ' VAL . 29.4 tt0 -131.88 108.81 9.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.15 0.5 . . . . 0.0 110.434 178.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.44 ' HA ' ' O ' ' A' ' 24' ' ' GLY . 15.0 m120 -97.63 101.18 12.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.12 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG13 ' HG2' ' A' ' 28' ' ' GLN . 6.6 m -107.6 104.91 17.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.45 0.643 . . . . 0.0 111.144 -176.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -85.06 45.36 1.16 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.797 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.5 ' HG2' ' HB ' ' A' ' 30' ' ' VAL . 60.6 pttt -121.11 159.71 25.22 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.729 -178.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.7 p -81.1 153.7 4.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.031 178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.488 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 21.3 t -104.46 158.77 16.25 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 178.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.554 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 15.0 p -97.23 2.89 51.44 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.024 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.96 105.84 2.14 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.004 -178.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 88.9 mmm -96.34 141.9 29.1 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.423 177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 57.3 t-80 -105.62 116.56 32.15 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 121.337 0.589 . . . . 0.0 109.413 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.752 HD23 HD21 ' A' ' 72' ' ' LEU . 62.3 tp -100.66 120.35 39.93 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.137 -177.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.572 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 39.2 ttt180 -118.09 109.9 16.99 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 173.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.572 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -112.19 108.71 18.05 Favored 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 175.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.78 97.31 2.7 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.175 0.512 . . . . 0.0 111.316 -178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.495 HG23 HD12 ' A' ' 56' ' ' LEU . 58.5 mt -54.63 -39.88 48.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 121.67 0.747 . . . . 0.0 109.579 173.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -66.18 -57.29 7.93 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 114.338 -1.301 . . . . 0.0 111.721 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -77.35 -20.97 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -172.315 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.1 p -63.28 155.72 27.71 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.181 0.515 . . . . 0.0 112.234 -175.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.3 t -75.41 8.26 2.93 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.744 179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.501 ' HG ' HD21 ' A' ' 10' ' ' LEU . 68.2 mt -65.6 137.65 96.48 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.817 177.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 52' ' ' TYR . 10.0 Cg_endo -54.38 153.25 23.18 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.195 2.597 . . . . 0.0 112.728 176.448 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 50.8 Cg_exo -54.86 -34.7 86.57 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 123.143 2.562 . . . . 0.0 112.29 178.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -54.02 -46.59 71.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.968 177.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.422 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 19.5 m-85 -71.23 -37.81 71.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.951 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 32.7 mttp -58.0 -44.5 87.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.658 -0.247 . . . . 0.0 111.043 173.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.5 mt-10 -57.08 -47.77 80.22 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.331 178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.3 mmt-85 -57.87 -48.75 78.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.595 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.495 HD12 HG23 ' A' ' 43' ' ' ILE . 97.4 mt -64.75 -45.56 85.91 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.221 -178.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.29 -34.06 77.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.022 0.439 . . . . 0.0 111.928 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.97 18.88 5.3 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.329 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 2.6 tp -79.2 156.94 27.96 Favored 'General case' 0 N--CA 1.443 -0.781 0 CA-C-O 121.361 0.6 . . . . 0.0 109.383 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.408 ' HB2' ' H ' ' A' ' 104' ' ' HIS . 0.9 OUTLIER -97.41 16.51 19.93 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.227 -177.276 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -102.48 133.71 47.0 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.53 -177.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.438 ' OG ' ' HA ' ' A' ' 107' ' ' HIS . 23.2 m -78.55 -2.55 39.34 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.03 -174.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.5 mtm180 -81.74 -6.46 59.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.304 0.573 . . . . 0.0 109.83 173.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.2 mm -85.13 114.19 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.143 172.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 36.9 p -99.53 153.06 19.34 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.391 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.9 m -65.36 -16.13 63.28 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.187 0.517 . . . . 0.0 111.041 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -71.99 -9.01 57.77 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.326 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.78 46.46 30.2 Favored Glycine 0 N--CA 1.444 -0.801 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -175.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.493 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 63.2 t -135.61 135.27 51.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.381 0 CA-C-O 120.836 0.35 . . . . 0.0 111.119 -176.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.572 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 38.9 mm -85.21 117.9 31.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 171.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.22 122.65 66.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.598 0.713 . . . . 0.0 111.689 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.752 HD21 HD23 ' A' ' 39' ' ' LEU . 1.8 pt? -154.06 175.51 13.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.962 176.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -137.57 116.32 12.22 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.502 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.16 106.87 18.77 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.745 -0.662 . . . . 0.0 110.575 -179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -124.16 22.12 8.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.289 0.566 . . . . 0.0 110.101 179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -64.42 -52.2 59.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.065 -173.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -95.99 171.29 8.72 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -173.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -71.81 -42.71 66.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.655 -1.157 . . . . 0.0 111.843 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 11.6 p -99.62 156.84 16.85 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.951 0.405 . . . . 0.0 111.154 -176.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.554 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 51.1 mt-30 -70.28 -40.06 74.54 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.86 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 0.8 OUTLIER -62.95 -29.5 70.85 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -178.224 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -70.99 -47.13 60.61 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.544 176.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.457 ' HA ' ' HB3' ' A' ' 86' ' ' ASP . 92.8 m-20 -66.63 -28.77 68.75 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.357 0.598 . . . . 0.0 110.305 176.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 39.3 ttt180 -54.59 -53.17 58.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.861 -1.063 . . . . 0.0 110.05 172.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -71.21 -37.2 72.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.097 178.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.457 ' HB3' ' HA ' ' A' ' 83' ' ' ASN . 30.9 t70 -56.55 -53.73 54.16 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.671 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.564 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -57.4 -42.43 82.23 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.504 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.22 -41.9 93.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.007 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.5 tp -63.6 -49.47 73.22 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.017 0.437 . . . . 0.0 110.467 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -64.84 -29.71 70.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.405 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 42.6 tp -66.39 -51.77 53.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.588 177.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.8 p -62.02 -37.12 83.7 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.056 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -64.5 -40.7 96.13 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.019 176.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 62.0 tp -60.84 -40.3 92.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.1 mt -58.77 -44.37 90.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.972 179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.8 t -74.65 -36.86 41.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.096 0.475 . . . . 0.0 110.508 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -60.84 -45.43 94.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.16 -17.1 64.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.61 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -81.0 -30.21 35.04 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.808 0.337 . . . . 0.0 110.544 178.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -91.81 -25.87 18.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.306 0.574 . . . . 0.0 110.847 -178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 93.1 mt -114.37 -174.06 2.41 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.351 -175.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -160.71 -58.33 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.331 -0.849 . . . . 0.0 108.887 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -93.02 106.2 18.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.152 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.408 ' H ' ' HB2' ' A' ' 60' ' ' ASN . 71.8 t60 -135.96 92.75 2.84 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 172.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -78.2 109.09 11.99 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.619 -172.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 17.4 t-160 -111.23 -51.87 2.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.063 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.438 ' HA ' ' OG ' ' A' ' 62' ' ' SER . 4.7 t-160 73.41 -4.49 2.2 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.79 0.836 . . . . 0.0 112.197 175.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 50.1 t60 . . . . . 0 C--O 1.251 1.179 0 CA-C-O 118.831 -0.604 . . . . 0.0 109.806 172.823 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.1 ttp . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.798 0.332 . . . . 0.0 110.211 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.567 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.0 tp -83.93 97.62 9.34 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.435 0.636 . . . . 0.0 109.85 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.8 t -80.86 109.55 15.39 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.108 176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -94.62 -41.88 12.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.964 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.0 t -146.08 175.54 10.4 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.115 -179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -65.02 -30.63 71.63 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.363 0.602 . . . . 0.0 110.297 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -111.69 7.62 20.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.251 -177.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 59.8 t -128.03 117.78 46.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.188 0.518 . . . . 0.0 110.135 -178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -136.9 134.19 36.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.933 -179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 70.9 mt -114.97 108.67 48.11 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.422 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.787 ' HG2' ' HG3' ' A' ' 14' ' ' GLU . 17.9 Cg_endo -64.52 146.51 89.39 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.293 1.995 . . . . 0.0 111.846 175.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -57.39 -34.14 68.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.806 179.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -31.96 64.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.092 -0.958 . . . . 0.0 112.876 -178.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.787 ' HG3' ' HG2' ' A' ' 11' ' ' PRO . 39.5 mt-10 -85.3 -0.62 55.3 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.159 0.504 . . . . 0.0 111.575 -175.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.3 mt -109.65 115.64 50.15 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.525 178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.0 tp10 -85.45 91.87 8.34 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.278 0.561 . . . . 0.0 110.216 -178.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD21 HD21 ' A' ' 88' ' ' LEU . 89.7 mt -93.38 115.68 28.24 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.246 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -135.28 158.82 43.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.543 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.49 141.72 44.69 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.5 178.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 67.0 mt -93.78 121.1 44.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.217 0.532 . . . . 0.0 110.438 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -83.92 136.81 33.94 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.612 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.28 -175.42 3.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -162.39 143.52 10.36 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.534 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.35 -61.92 5.86 Favored Glycine 0 N--CA 1.453 -0.217 0 C-N-CA 120.924 -0.655 . . . . 0.0 111.594 177.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 70.74 139.98 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 121.736 0.779 . . . . 0.0 112.775 174.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.58 -134.66 35.65 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.656 177.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.13 23.16 9.37 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.876 -0.678 . . . . 0.0 111.899 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -103.17 115.71 31.11 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.291 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 29' ' ' ASN . 0.9 OUTLIER -78.39 89.42 4.39 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.17 -178.283 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 m -133.22 73.48 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.316 175.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -103.12 82.57 2.09 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.648 0.737 . . . . 0.0 109.634 -177.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -148.68 139.6 22.97 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.963 174.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -65.95 125.87 24.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.293 0.568 . . . . 0.0 110.976 -177.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.4 m -71.91 159.14 34.76 Favored 'General case' 0 N--CA 1.441 -0.886 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.553 177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' A' ' 75' ' ' GLN . 12.5 t -88.39 30.78 0.86 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.306 0.574 . . . . 0.0 109.477 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.61 118.81 30.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.997 -172.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.594 ' SD ' ' HB3' ' A' ' 80' ' ' GLN . 87.9 mmm -107.74 147.44 30.78 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.168 172.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -109.58 116.93 32.66 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.087 178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.479 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 2.7 mm? -112.21 119.95 40.11 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.616 -175.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.568 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 41.7 ttt180 -123.71 114.74 20.35 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.016 172.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.423 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 75.9 t80 -108.34 118.18 36.1 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 174.26 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -88.58 93.92 9.71 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 -178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.3 mt -62.91 -31.64 53.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.789 -176.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -66.8 -53.12 36.08 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.95 -178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -78.94 -31.17 45.02 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -174.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.5 p -58.29 154.94 12.45 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -172.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 m -76.94 34.93 0.15 Allowed 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.485 -175.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.693 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 73.6 mt -85.3 143.52 39.34 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-O 120.563 0.22 . . . . 0.0 110.53 177.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.16 146.61 87.13 Favored 'Trans proline' 0 C--O 1.236 0.412 0 C-N-CA 122.343 2.029 . . . . 0.0 111.412 174.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.58 -31.77 71.52 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.992 2.461 . . . . 0.0 112.546 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -51.41 -46.88 63.06 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.02 176.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.409 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 81.9 m-85 -74.96 -45.9 39.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.763 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.693 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 97.6 mttt -57.72 -39.88 78.3 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.405 -177.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -58.24 -57.12 14.29 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 121.239 0.542 . . . . 0.0 110.924 178.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 25.2 mtp85 -63.58 -29.52 70.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.325 -175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.533 HD21 ' HA ' ' A' ' 95' ' ' ILE . 94.8 mt -68.8 -47.46 66.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.182 0.515 . . . . 0.0 110.294 173.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.2 mt -68.08 -17.73 64.46 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.296 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -96.72 12.58 31.43 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.34 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 59' ' ' LEU . 12.0 mt -82.75 169.52 16.07 Favored 'General case' 0 N--CA 1.432 -1.362 0 CA-C-O 120.945 0.402 . . . . 0.0 110.092 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -104.92 16.21 26.36 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.425 0.631 . . . . 0.0 109.75 -177.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.73 133.14 34.84 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.197 -174.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 7.6 t -79.77 -14.89 58.39 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.887 -173.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 60.5 mtt85 -72.3 -24.45 61.33 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.238 0.542 . . . . 0.0 109.994 179.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.6 mt -81.56 110.17 16.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.738 177.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 64.0 p -85.51 162.94 18.71 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.407 -176.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.4 m -69.31 -16.21 63.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.453 178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.04 -9.04 58.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.591 177.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.52 27.1 33.6 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.892 -0.671 . . . . 0.0 112.086 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.3 t -123.37 136.24 60.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 120.563 0.22 . . . . 0.0 110.475 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.423 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 12.5 tt -115.2 127.87 72.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.479 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 8.3 p -124.02 137.79 55.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.857 -177.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -137.17 164.06 29.37 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.633 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -124.91 106.38 9.95 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.197 174.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -93.4 103.73 15.93 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.1 179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 35' ' ' SER . 37.7 tt0 -140.14 20.18 2.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.448 0.642 . . . . 0.0 109.659 -178.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 20.2 tp60 -81.34 -47.49 13.22 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.385 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.409 ' HD2' ' HB3' ' A' ' 82' ' ' GLN . 3.4 t80 -86.32 176.32 7.97 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.673 -174.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 4.8 tmt_? -70.71 -32.02 69.08 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 -169.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 p -126.12 149.78 48.7 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.183 0.516 . . . . 0.0 112.346 -176.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.594 ' HB3' ' SD ' ' A' ' 37' ' ' MET . 49.5 mt-30 -68.21 -39.22 82.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.75 -178.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.547 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 42.5 tt0 -61.51 -40.58 95.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.576 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.409 ' HB3' ' HD2' ' A' ' 77' ' ' TYR . 66.1 mm-40 -72.42 -38.58 68.34 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.523 178.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -61.0 -35.83 77.88 Favored 'General case' 0 C--O 1.225 -0.23 0 CA-C-O 120.863 0.363 . . . . 0.0 110.108 174.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.547 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 64.3 ttt180 -57.2 -58.68 7.18 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.411 174.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.4 -40.99 88.41 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.604 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.77 -49.8 71.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.513 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.96 -39.58 86.11 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.446 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.523 HD21 HD21 ' A' ' 17' ' ' LEU . 84.0 mt -64.49 -37.56 87.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.844 0.354 . . . . 0.0 110.649 177.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 8.1 tt -66.41 -45.26 80.56 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 176.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 64.4 ttt180 -62.29 -39.4 92.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.328 178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.462 ' O ' HG13 ' A' ' 95' ' ' ILE . 45.7 tp -67.95 -52.21 38.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.248 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 p -61.04 -39.21 88.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.958 -178.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.5 OUTLIER -61.17 -50.27 73.85 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.662 175.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.4 tt -55.66 -43.77 76.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.885 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.533 ' HA ' HD21 ' A' ' 56' ' ' LEU . 75.7 mt -58.88 -48.28 86.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 121.058 0.456 . . . . 0.0 111.06 -179.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.518 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 44.7 t -74.29 -34.83 38.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.411 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 16.9 t-20 -61.54 -37.13 82.65 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.777 -178.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.04 -26.41 68.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.054 0.454 . . . . 0.0 110.939 177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.7 -11.72 52.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.829 178.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.518 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 78.3 mttt -87.39 -26.24 23.42 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 121.086 0.469 . . . . 0.0 110.041 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 90.7 mt -85.52 109.0 18.2 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.271 -0.877 . . . . 0.0 111.314 -174.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -95.26 -148.59 0.29 Allowed 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 20.8 m170 66.85 -164.19 0.23 Allowed 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -124.3 -23.03 4.58 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 171.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.461 ' HB3' ' H ' ' A' ' 106' ' ' HIS . 2.2 t-80 60.36 -96.62 0.06 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.043 -0.981 . . . . 0.0 111.211 173.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.461 ' H ' ' HB3' ' A' ' 105' ' ' HIS . 0.2 OUTLIER -169.95 124.5 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 -178.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 19.2 m80 -101.07 -9.37 21.46 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.331 0.586 . . . . 0.0 109.607 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 . . . . . 0 C--O 1.248 0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.219 172.06 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.6 ttm . . . . . 0 N--CA 1.478 0.938 0 CA-C-O 120.916 0.389 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.9 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 7.5 mp -87.23 102.15 14.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.936 -179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.6 t -76.54 110.53 12.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.505 176.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.8 mt -101.95 -42.56 9.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.306 0.575 . . . . 0.0 109.798 178.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 43.2 m -149.56 -175.43 5.01 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.771 -0.649 . . . . 0.0 109.674 178.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -68.32 -36.7 79.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.914 0.388 . . . . 0.0 110.751 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -112.53 9.93 19.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.989 0.423 . . . . 0.0 111.204 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 47.2 t -124.74 117.63 50.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.221 0.534 . . . . 0.0 109.925 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 71.1 m80 -143.54 144.55 32.0 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.776 -178.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.9 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.5 mt -105.41 110.86 64.8 Favored Pre-proline 0 C--N 1.321 -0.646 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.134 173.004 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.32 139.29 49.34 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 122.911 2.407 . . . . 0.0 111.848 177.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.79 -40.6 72.92 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.182 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.3 -22.91 65.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.256 -0.884 . . . . 0.0 112.961 -177.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.2 -1.07 57.11 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 121.005 0.431 . . . . 0.0 110.971 -178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG22 ' HG ' ' A' ' 17' ' ' LEU . 55.1 mt -107.85 105.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.879 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.091 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.3 tp10 -88.9 107.97 19.29 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.232 0.539 . . . . 0.0 109.979 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.407 HD11 HD21 ' A' ' 88' ' ' LEU . 93.5 mt -110.53 111.92 23.48 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.034 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.568 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -100.08 142.07 32.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.145 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.3 130.89 52.11 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.179 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 52.9 mt -106.9 128.82 61.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.142 0.496 . . . . 0.0 110.728 -177.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.524 ' HA ' ' HA ' ' A' ' 33' ' ' VAL . 40.5 mtp180 -65.04 169.05 5.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.487 174.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.6 129.64 39.72 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 170.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -65.96 109.54 2.57 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.767 0.794 . . . . 0.0 112.411 -173.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -110.44 54.74 0.53 Allowed Glycine 0 N--CA 1.446 -0.696 0 CA-C-N 114.325 -1.307 . . . . 0.0 110.056 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -85.01 127.84 34.37 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.805 -0.698 . . . . 0.0 111.341 -174.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.55 -68.47 3.54 Favored Glycine 0 N--CA 1.446 -0.637 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.016 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -136.71 -168.51 11.45 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 111.556 -0.617 . . . . 0.0 111.556 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 66.8 99.9 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.83 0.824 . . . . 0.0 110.861 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -81.59 92.87 6.61 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.216 -176.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.2 m -131.9 113.53 22.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.492 0.663 . . . . 0.0 111.338 -178.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -103.44 81.4 1.92 Allowed 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 122.042 0.925 . . . . 0.0 108.932 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -127.1 147.31 50.17 Favored 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 113.757 -1.565 . . . . 0.0 110.277 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.524 ' HA ' ' HA ' ' A' ' 21' ' ' ARG . 42.4 t -99.57 122.16 51.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 171.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 7.4 t -95.41 -178.34 4.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.028 0.442 . . . . 0.0 110.924 -170.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.5 m -82.26 0.89 39.29 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.154 -178.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.36 116.44 17.96 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.18 0.514 . . . . 0.0 110.662 -178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.48 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 88.8 mmm -109.06 152.3 25.21 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.305 177.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.568 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 42.5 t-80 -120.02 127.52 52.68 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 177.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.537 HD21 ' HB1' ' A' ' 87' ' ' ALA . 9.0 mp -104.79 135.19 46.62 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.607 -174.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.54 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 8.2 tpt180 -136.07 101.41 4.71 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.264 171.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.538 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 87.0 t80 -129.32 104.66 7.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.939 179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.6 103.59 7.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.84 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.525 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 63.7 mt -59.8 -33.89 53.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.119 -0.696 . . . . 0.0 109.119 174.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -55.01 -56.64 17.44 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.849 177.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.92 1.08 50.02 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 -168.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.5 p -78.09 166.17 23.11 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.055 0.455 . . . . 0.0 111.595 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.1 m -76.53 9.88 2.45 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.247 -176.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.666 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 79.8 mt -63.92 142.62 98.15 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 120.796 0.332 . . . . 0.0 110.69 177.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 18.7 Cg_exo -67.06 136.98 42.83 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.36 2.04 . . . . 0.0 111.379 175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' A' ' 53' ' ' LYS . 10.0 Cg_endo -53.9 -29.18 52.39 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.108 2.538 . . . . 0.0 112.226 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -52.19 -46.67 65.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.576 175.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -77.05 -34.66 57.17 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.46 178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.666 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 99.2 mttt -61.7 -44.81 96.22 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.142 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.26 -38.38 79.95 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.372 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.467 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 96.2 mtt180 -63.55 -45.65 89.54 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.974 0.416 . . . . 0.0 110.749 179.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD13 HD13 ' A' ' 43' ' ' ILE . 95.1 mt -64.08 -46.59 83.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.165 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 73.3 mt -64.1 -25.06 67.93 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.959 -0.564 . . . . 0.0 112.056 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -93.06 9.12 37.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.44 -0.346 . . . . 0.0 111.838 -177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.14 159.82 27.27 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-O 121.242 0.544 . . . . 0.0 110.311 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -96.64 16.51 18.74 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.696 -177.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 9.7 t70 -87.49 160.94 18.07 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.528 -172.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.9 m -100.92 -15.9 17.38 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.62 -174.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 12.7 mmt180 -75.8 -38.4 58.26 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.67 109.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.655 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.6 161.0 27.29 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.043 -179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.4 m -73.99 -5.74 43.16 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.168 0.433 . . . . 0.0 112.168 -169.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.9 m-20 -99.17 0.41 43.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.73 0.3 . . . . 0.0 110.869 177.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 71.09 50.45 22.71 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.503 -0.856 . . . . 0.0 111.864 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.409 HG12 HG23 ' A' ' 71' ' ' VAL . 47.4 t -129.39 137.51 56.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 120.779 0.323 . . . . 0.0 110.189 -178.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.538 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.0 mm -104.14 108.34 24.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.069 176.1 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.479 ' C ' HD12 ' A' ' 72' ' ' LEU . 34.9 t -126.74 112.53 29.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 176.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.479 HD12 ' C ' ' A' ' 71' ' ' VAL . 8.3 mp -135.09 173.92 11.19 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.386 0.612 . . . . 0.0 111.379 -176.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -133.81 107.0 7.62 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.663 -1.153 . . . . 0.0 108.166 177.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.48 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -93.56 114.87 27.32 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.679 -171.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -149.08 94.7 2.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.063 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -140.37 -64.19 0.47 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.45 175.9 10.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.575 -173.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.06 -57.39 13.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.925 -177.105 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 72.4 p -106.89 159.26 16.39 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.232 0.539 . . . . 0.0 112.108 -170.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -60.42 -36.8 79.0 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.665 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -62.29 -50.98 69.54 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.05 -179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -66.77 -32.88 74.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.216 -179.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 60.6 m-20 -65.81 -35.54 80.98 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.176 -0.21 . . . . 0.0 110.839 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 31.3 ttm180 -60.92 -53.58 55.49 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 121.472 0.654 . . . . 0.0 109.934 175.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.6 90.93 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.629 -1.169 . . . . 0.0 111.996 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.54 -53.88 48.13 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.034 0.445 . . . . 0.0 110.782 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.537 ' HB1' HD21 ' A' ' 39' ' ' LEU . . . -60.01 -46.66 88.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.795 -177.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD21 HD11 ' A' ' 17' ' ' LEU . 78.6 mt -63.85 -39.31 93.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.663 0.268 . . . . 0.0 111.371 -178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -66.85 -47.86 70.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.037 0.446 . . . . 0.0 109.859 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -69.34 -28.3 66.11 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.235 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 47.9 tp -63.91 -51.64 63.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.084 0.468 . . . . 0.0 110.218 175.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.3 p -64.96 -35.2 80.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.573 178.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.06 -54.82 40.35 Favored 'General case' 0 C--O 1.22 -0.474 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.083 175.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 tt -52.0 -47.51 64.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.908 -178.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.6 mt -63.23 -52.06 63.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.897 0.379 . . . . 0.0 111.846 -175.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.435 HG12 ' NZ ' ' A' ' 100' ' ' LYS . 40.1 t -73.21 -34.04 43.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.457 0.646 . . . . 0.0 110.718 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 31.9 t30 -68.04 -42.17 80.97 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.531 ' HA ' ' HB3' ' A' ' 101' ' ' LEU . . . -64.43 -14.26 55.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.754 179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.467 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -70.29 -19.27 63.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.908 0.385 . . . . 0.0 111.138 178.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.435 ' NZ ' HG12 ' A' ' 96' ' ' VAL . 12.1 mptt -95.88 -13.35 24.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.283 0.563 . . . . 0.0 110.134 176.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.61 HD11 ' HB2' ' A' ' 105' ' ' HIS . 19.7 tp -108.94 147.56 32.04 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.81 -165.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -154.34 104.3 2.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 108.156 -1.054 . . . . 0.0 108.156 174.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 57.45 -162.91 0.19 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.184 -172.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.7 m170 64.89 14.87 9.55 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.807 0.336 . . . . 0.0 111.025 176.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.61 ' HB2' HD11 ' A' ' 101' ' ' LEU . 48.5 t60 -132.92 153.73 51.11 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -174.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.6 t60 77.69 -42.33 0.37 Allowed 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.039 0.837 . . . . 0.0 110.012 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -154.43 121.89 5.75 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 174.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.426 -0.797 . . . . 0.0 109.847 178.079 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttm . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.934 0.397 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.597 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 58.5 tp -83.17 95.86 8.24 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.177 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.0 109.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.033 175.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.5 mt -93.73 -37.74 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.258 0.552 . . . . 0.0 110.101 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.2 t -151.79 171.4 17.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.544 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -64.21 -27.77 69.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.178 0.513 . . . . 0.0 110.205 178.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -108.01 6.13 26.81 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.281 -178.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.4 t -136.11 118.05 20.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.753 -178.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -133.84 137.26 44.93 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.597 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 67.7 mt -114.61 114.98 44.53 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-O 120.836 0.35 . . . . 0.0 110.89 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -66.32 145.6 78.24 Favored 'Trans proline' 0 N--CA 1.462 -0.325 0 C-N-CA 122.897 2.398 . . . . 0.0 111.924 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -62.69 -29.13 70.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.23 0.538 . . . . 0.0 111.299 -178.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.89 -23.0 66.04 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.168 -0.923 . . . . 0.0 112.198 178.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -88.45 8.97 25.31 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.07 0.462 . . . . 0.0 110.986 -177.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.5 mt -123.74 114.92 43.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.525 175.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -102.09 118.41 36.83 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.217 0.532 . . . . 0.0 110.522 -177.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HG ' ' HE ' ' A' ' 84' ' ' ARG . 3.2 mm? -99.64 110.75 23.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.336 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.586 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -106.41 148.17 28.42 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 177.524 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -103.83 132.9 49.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.0 mt -93.5 105.98 17.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 121.057 0.456 . . . . 0.0 109.884 178.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -75.48 150.94 38.1 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.667 -178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.571 ' HB2' ' HB2' ' A' ' 34' ' ' SER . . . -90.81 118.61 30.36 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.339 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -73.52 140.5 46.41 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.334 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.514 ' HA3' ' HB ' ' A' ' 30' ' ' VAL . . . -160.97 108.06 0.34 Allowed Glycine 0 N--CA 1.443 -0.899 0 C-N-CA 120.778 -0.725 . . . . 0.0 111.982 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -95.31 134.5 38.02 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 145.44 -53.5 0.56 Allowed Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.68 -0.771 . . . . 0.0 111.931 178.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.9 -85.73 0.16 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.058 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.451 ' C ' ' H ' ' A' ' 30' ' ' VAL . 31.9 tp60 -112.41 169.63 8.74 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 -175.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.3 t30 72.87 -16.11 0.48 Allowed 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.191 0.996 . . . . 0.0 111.663 179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.514 ' HB ' ' HA3' ' A' ' 24' ' ' GLY . 14.1 m -112.93 17.39 7.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 122.024 0.916 . . . . 0.0 109.428 175.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -99.97 19.9 15.37 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.108 -1.406 . . . . 0.0 109.441 -176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.6 tttp -90.13 121.6 32.33 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.344 -178.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -71.18 140.09 18.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.841 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.571 ' HB2' ' HB2' ' A' ' 22' ' ' ALA . 13.6 t -84.65 160.21 20.42 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.167 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.4 m -101.57 7.35 42.28 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.884 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.95 122.4 20.77 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.627 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.429 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 93.4 mmm -106.73 148.94 27.83 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.733 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.586 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 32.1 t-80 -116.05 123.79 48.81 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.073 177.079 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.12 131.97 54.66 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.493 -178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 49.9 ttt180 -122.83 119.01 29.29 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.717 173.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.55 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.1 t80 -127.55 102.3 6.79 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.799 176.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -75.73 100.54 4.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.386 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.434 HD11 HD11 ' A' ' 70' ' ' ILE . 76.6 mt -58.34 -29.8 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 121.808 0.814 . . . . 0.0 109.341 173.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -65.73 -48.35 72.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.051 179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.17 9.62 42.51 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 113.163 0.801 . . . . 0.0 113.163 -171.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.1 p -91.48 176.68 6.47 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 120.865 0.365 . . . . 0.0 111.294 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -83.86 19.2 1.77 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.642 -179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 89.1 mt -71.82 126.04 91.5 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.631 177.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 32.2 Cg_exo -59.33 151.58 66.88 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.921 2.414 . . . . 0.0 112.201 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_endo -47.68 -45.32 24.11 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.757 2.972 . . . . 0.0 113.107 -176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -54.39 -52.19 62.47 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.041 0.448 . . . . 0.0 111.331 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.4 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 97.8 m-85 -67.8 -43.61 79.27 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.003 -178.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.422 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 37.5 ttmt -57.57 -45.54 85.06 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.093 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -61.91 -50.05 73.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.219 177.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.7 ttt85 -58.76 -42.13 88.21 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.621 0.768 . . . . 0.0 111.611 -176.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.438 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 96.4 mt -66.28 -46.36 77.26 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.199 0.523 . . . . 0.0 110.865 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.551 HD21 ' HA2' ' A' ' 68' ' ' GLY . 30.5 mt -67.89 -19.05 64.97 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.079 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.02 14.75 28.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.446 -178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.7 mt -81.72 174.97 10.85 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-O 121.192 0.52 . . . . 0.0 110.481 -177.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.54 16.2 24.03 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.537 -175.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.63 -175.87 5.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.974 -172.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.5 m -127.22 -17.34 4.78 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.965 -175.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -75.52 -24.68 56.82 Favored 'General case' 0 CA--C 1.52 -0.174 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 175.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.4 HG12 HD11 ' A' ' 70' ' ' ILE . 62.8 mt -93.63 112.64 26.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 115.003 -0.998 . . . . 0.0 109.841 176.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.6 p -81.49 149.96 28.5 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.499 178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.5 m -65.48 -19.4 65.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.282 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -74.32 -23.89 59.13 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 121.48 0.657 . . . . 0.0 110.135 179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.551 ' HA2' HD21 ' A' ' 57' ' ' LEU . . . 101.86 31.05 5.55 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.849 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.34 128.88 74.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.906 0.384 . . . . 0.0 110.831 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 28.6 mm -87.87 115.07 27.61 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.773 174.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.434 ' C ' HD12 ' A' ' 72' ' ' LEU . 44.0 t -124.29 119.54 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.117 0.485 . . . . 0.0 110.924 -178.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.434 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.0 mp -138.17 172.7 12.52 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.478 177.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -132.25 109.6 10.03 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.387 -0.968 . . . . 0.0 108.387 175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -84.41 112.79 20.68 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.535 -176.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -142.04 27.36 1.79 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.006 177.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.4 tp60 -72.66 -36.68 68.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.618 -177.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -109.37 163.65 13.2 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.643 -177.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -88.17 -32.21 18.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.33 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.5 p -85.54 126.85 34.18 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.263 177.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -58.24 -39.98 80.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.746 -175.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -69.71 -48.77 58.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.891 0.377 . . . . 0.0 111.21 -177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -68.88 -32.84 72.79 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.714 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -65.66 -36.79 84.7 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 121.321 0.581 . . . . 0.0 109.958 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.584 ' HE ' ' HG ' ' A' ' 17' ' ' LEU . 45.0 ttt180 -62.08 -50.59 71.36 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.68 174.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.43 80.98 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.101 -0.954 . . . . 0.0 111.571 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 26.1 t70 -58.63 -53.46 58.12 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 110.319 177.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.5 -35.68 78.36 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.676 -178.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 92.6 mt -66.35 -45.21 80.96 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-O 121.004 0.431 . . . . 0.0 110.91 178.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.42 -41.34 89.36 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 86' ' ' ASP . 6.7 ttt180 -62.76 -41.23 99.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.106 -0.952 . . . . 0.0 110.908 -179.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.495 ' O ' HG13 ' A' ' 95' ' ' ILE . 52.5 tp -62.11 -52.31 64.4 Favored 'General case' 0 CA--C 1.517 -0.305 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.832 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 p -62.38 -40.29 95.98 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.184 -178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -59.25 -49.53 77.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.063 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -59.63 -44.26 93.54 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.719 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 91' ' ' LEU . 82.0 mt -59.09 -48.02 88.15 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 CA-C-O 120.782 0.325 . . . . 0.0 111.288 -178.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.434 ' O ' ' HG3' ' A' ' 100' ' ' LYS . 50.8 t -71.73 -39.6 68.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.022 0.439 . . . . 0.0 110.67 -178.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.417 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 10.8 t-20 -62.82 -41.43 99.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.442 -179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -67.26 -32.53 73.61 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.004 178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.61 -24.04 63.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.119 0.485 . . . . 0.0 110.82 177.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 96' ' ' VAL . 56.7 mtpt -72.48 -21.03 61.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.37 0.605 . . . . 0.0 110.392 177.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 89.1 mt -99.51 148.02 24.7 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.167 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -92.91 -47.43 7.03 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.451 0.643 . . . . 0.0 109.566 175.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -156.53 -45.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.938 -1.028 . . . . 0.0 108.762 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.506 ' HB3' ' H ' ' A' ' 105' ' ' HIS . 1.3 t60 55.55 -122.88 1.9 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.885 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.506 ' H ' ' HB3' ' A' ' 104' ' ' HIS . 21.5 p80 -174.21 135.78 0.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 110.415 -0.217 . . . . 0.0 110.415 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -138.07 52.46 1.85 Allowed 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -73.38 118.11 15.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.084 -177.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.8 p80 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.37 -0.824 . . . . 0.0 109.823 -178.618 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.427 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 52.9 ttm . . . . . 0 N--CA 1.479 0.984 0 CA-C-O 120.841 0.353 . . . . 0.0 110.086 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.928 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 6.5 mp -82.47 89.01 6.59 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.058 0.456 . . . . 0.0 109.968 -179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 45.8 t -84.12 109.12 17.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.977 177.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.5 mt -100.76 -41.39 8.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.307 0.575 . . . . 0.0 109.67 179.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.704 ' HB2' ' HB ' ' A' ' 8' ' ' VAL . 18.6 m -127.73 163.05 25.17 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.608 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -61.07 -35.99 78.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.817 0.342 . . . . 0.0 110.783 -177.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -108.12 10.74 27.99 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.105 0.478 . . . . 0.0 110.841 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.704 ' HB ' ' HB2' ' A' ' 5' ' ' SER . 91.0 t -130.25 117.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 110.274 -178.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.427 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 13.5 m80 -133.8 148.9 51.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.985 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.928 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 34.1 mt -112.64 117.82 46.15 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-O 120.75 0.31 . . . . 0.0 110.606 173.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -73.05 142.81 35.1 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.896 2.397 . . . . 0.0 111.89 176.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -56.53 -39.21 72.97 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.233 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.94 67.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.024 -0.989 . . . . 0.0 113.236 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.17 -5.03 59.19 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.092 0.473 . . . . 0.0 111.161 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.6 mt -104.96 114.04 43.56 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.399 178.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.513 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 5.5 tp10 -92.72 108.59 20.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.004 0.431 . . . . 0.0 110.679 -175.717 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 17' ' ' LEU . 4.0 mm? -94.1 110.39 22.1 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.683 176.288 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.646 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -103.21 157.06 17.27 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 176.806 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -114.35 133.98 55.3 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.156 0.503 . . . . 0.0 111.364 -177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.527 ' HB ' ' HB1' ' A' ' 36' ' ' ALA . 19.3 mt -109.0 168.16 3.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 176.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.429 ' N ' HG22 ' A' ' 20' ' ' ILE . 70.2 ttt180 -131.92 135.06 46.34 Favored 'General case' 0 C--N 1.314 -0.941 0 N-CA-C 110.074 -0.343 . . . . 0.0 110.074 177.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.36 123.57 18.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -68.45 154.03 42.62 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.787 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.65 44.85 3.01 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.659 179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -157.07 119.24 3.86 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 171.04 144.55 4.42 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.923 -0.656 . . . . 0.0 112.323 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -93.14 69.65 1.56 Allowed Glycine 0 N--CA 1.454 -0.126 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.037 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 47.0 tt0 -160.96 139.87 10.19 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -70.79 97.82 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.425 0.631 . . . . 0.0 111.015 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.0 m -109.91 99.73 9.29 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.879 176.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -93.49 19.35 8.54 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.893 0.854 . . . . 0.0 109.804 -178.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -165.12 144.33 6.68 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 114.755 -1.112 . . . . 0.0 108.547 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.4 p -63.06 125.53 19.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 120.92 0.39 . . . . 0.0 110.082 175.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.6 m -56.81 140.12 48.92 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.3 p -53.35 -60.33 3.44 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 123.821 0.7 . . . . 0.0 110.494 177.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.527 ' HB1' ' HB ' ' A' ' 20' ' ' ILE . . . 47.86 85.28 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.196 0 O-C-N 124.222 0.951 . . . . 0.0 113.455 173.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.634 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 25.8 mtt -100.04 153.48 19.17 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.58 0.705 . . . . 0.0 110.249 171.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.646 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 37.5 t-80 -114.48 122.37 46.39 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.039 -0.982 . . . . 0.0 108.738 178.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.58 ' O ' ' HA ' ' A' ' 71' ' ' VAL . 4.6 mm? -96.83 126.52 42.04 Favored 'General case' 0 C--N 1.307 -1.248 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.696 -174.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.513 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 60.4 ttt180 -128.89 118.27 22.41 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.055 170.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.606 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 89.7 t80 -130.86 111.58 12.23 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 173.228 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -79.12 99.56 7.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.207 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.638 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 59.7 mt -61.16 -34.1 58.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.012 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.76 -49.77 71.66 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.346 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.32 1.83 49.93 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.2 p -77.63 161.16 28.02 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.875 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.3 t -73.51 2.76 7.21 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.437 -176.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.551 ' HG ' HD21 ' A' ' 10' ' ' LEU . 78.3 mt -62.27 141.43 96.19 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 111.012 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 16.1 Cg_exo -69.05 153.75 71.66 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 122.668 2.245 . . . . 0.0 111.286 173.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -54.63 -27.67 52.24 Favored 'Trans proline' 0 C--N 1.344 0.311 0 C-N-CA 123.101 2.534 . . . . 0.0 112.433 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.413 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.0 t80 -53.7 -52.44 60.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.143 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 56.5 m-85 -74.28 -35.64 63.76 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.89 -178.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.638 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.4 mttt -59.07 -42.76 91.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.328 176.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -57.09 -52.2 66.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.892 178.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.549 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 23.5 mmm180 -54.76 -39.83 68.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.045 -0.98 . . . . 0.0 111.582 -178.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' ' HB2' ' A' ' 59' ' ' LEU . 93.2 mt -73.51 -46.32 48.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.335 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 51.3 tp -64.8 -41.95 95.39 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -85.13 21.43 1.67 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.199 -176.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 8.2 mt -87.8 175.23 7.93 Favored 'General case' 0 N--CA 1.437 -1.099 0 CA-C-O 121.446 0.641 . . . . 0.0 111.255 178.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -111.2 15.49 21.48 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.311 1.053 . . . . 0.0 108.735 176.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.628 ' OD1' ' HG2' ' A' ' 63' ' ' ARG . 2.7 t70 -86.51 127.68 34.9 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.717 -1.128 . . . . 0.0 110.713 -171.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.4 p -83.66 4.56 28.0 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.604 -0.725 . . . . 0.0 112.908 -173.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.628 ' HG2' ' OD1' ' A' ' 61' ' ' ASP . 4.9 ptp180 -89.83 -6.68 55.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 172.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 68.9 mt -109.65 130.73 62.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.066 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 66.8 p -90.89 150.64 21.44 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.574 178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.6 m -64.29 -14.53 56.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -177.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -87.21 -12.72 45.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.183 0.516 . . . . 0.0 110.507 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.34 38.69 5.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.523 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.7 t -124.22 130.28 73.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 120.732 0.301 . . . . 0.0 110.432 178.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.606 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 36.4 mm -95.36 119.19 43.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.797 176.097 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.58 ' HA ' ' O ' ' A' ' 39' ' ' LEU . 3.5 p -136.09 118.06 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.458 0.647 . . . . 0.0 110.95 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.466 HD12 ' C ' ' A' ' 71' ' ' VAL . 7.1 mp -137.41 176.46 8.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.435 -178.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -124.53 114.76 19.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.14 -0.936 . . . . 0.0 109.107 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -93.75 102.18 14.32 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.557 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.3 tt0 -136.55 24.18 3.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.815 0.817 . . . . 0.0 109.443 179.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -73.58 -57.31 4.08 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.697 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -83.07 162.37 21.38 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.763 -178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.1 ttt180 -71.54 -36.75 71.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.522 -178.325 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.4 p -99.57 160.18 14.49 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.96 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -74.99 -44.41 48.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.182 -179.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -64.33 -35.53 81.18 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -174.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -71.4 -33.08 69.14 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.64 0.257 . . . . 0.0 110.562 177.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -66.95 -44.73 79.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.256 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.56 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 29.0 ttt-85 -51.17 -53.02 38.57 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.456 174.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -54.74 -47.98 73.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.974 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.616 ' O ' ' HG2' ' A' ' 90' ' ' ARG . 17.3 t70 -66.19 -44.29 84.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.063 0.459 . . . . 0.0 110.329 -179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.36 -40.83 78.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.385 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 90.3 mt -64.62 -35.22 80.3 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.055 0.455 . . . . 0.0 110.464 177.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.418 ' HA ' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -69.53 -39.59 77.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.447 178.674 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.616 ' HG2' ' O ' ' A' ' 86' ' ' ASP . 23.6 mmt180 -66.26 -34.14 77.33 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.44 178.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.7 tp -64.42 -50.83 66.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.434 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.2 p -66.62 -40.66 88.87 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.961 179.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 3.5 tm-20 -55.41 -48.27 74.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.002 175.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD13 HH11 ' A' ' 63' ' ' ARG . 62.5 tp -56.14 -44.74 79.52 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.622 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.8 mt -63.02 -46.78 95.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.777 -178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.9 t -66.68 -37.38 79.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.166 0.508 . . . . 0.0 110.165 177.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 3.3 t-20 -61.41 -45.33 94.78 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.615 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.479 ' HB2' HD11 ' A' ' 59' ' ' LEU . . . -66.76 -24.24 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.68 -179.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -87.21 -24.7 24.34 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.856 0.36 . . . . 0.0 110.959 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -94.8 -26.66 16.14 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.052 0.453 . . . . 0.0 111.444 -175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 62.2 mt -117.09 168.54 10.18 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.594 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.449 ' O ' ' HB2' ' A' ' 103' ' ' HIS . 33.1 tt0 -121.75 123.02 40.83 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.326 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.449 ' HB2' ' O ' ' A' ' 102' ' ' GLU . 43.5 m80 77.35 -41.97 0.38 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.508 0.723 . . . . 0.0 111.758 179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 6.4 t-160 70.12 100.22 0.06 Allowed 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 -175.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -69.25 114.18 7.28 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.804 -170.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -165.92 138.97 4.18 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 170.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -94.03 90.54 6.47 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.275 0.559 . . . . 0.0 111.7 -177.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 39.3 t60 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.231 -0.89 . . . . 0.0 108.811 176.287 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.1 ttm . . . . . 0 N--CA 1.484 1.257 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.661 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 48.2 tp -93.89 98.13 10.85 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 177.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 52.9 t -87.46 110.63 20.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.33 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 60.1 mt -95.99 -38.45 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.444 0.64 . . . . 0.0 110.03 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 t -151.11 176.25 11.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.224 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -59.88 -42.27 93.4 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.145 0.498 . . . . 0.0 110.859 -176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.24 10.16 31.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.185 0.517 . . . . 0.0 110.787 -175.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -128.84 118.01 45.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.079 0.466 . . . . 0.0 110.727 -178.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -133.13 152.56 51.94 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.508 178.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.661 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.2 mt -123.44 132.63 24.28 Favored Pre-proline 0 C--N 1.323 -0.545 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 175.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.491 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 13.2 Cg_exo -69.6 135.44 30.85 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.749 2.299 . . . . 0.0 112.165 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -57.55 -39.66 77.15 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.101 -179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.19 -26.33 60.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.869 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -87.33 6.73 32.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.068 0.461 . . . . 0.0 111.099 -177.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -116.52 118.87 60.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.553 176.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 13.4 tp10 -99.3 108.76 21.38 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.018 -175.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.7 110.64 22.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.948 176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.565 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -115.91 153.09 32.18 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.211 -179.078 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -108.43 126.75 53.24 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.711 0.291 . . . . 0.0 110.666 178.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 69.1 mt -81.85 119.82 32.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.353 0.597 . . . . 0.0 110.574 -178.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.7 mmt180 -90.36 145.13 25.19 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.121 -179.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.86 147.55 24.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.257 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -80.75 141.65 34.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.566 -179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -100.44 56.99 0.78 Allowed Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.64 171.26 14.71 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 -177.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.57 -91.5 1.68 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.649 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.49 -147.98 7.6 Favored Glycine 0 N--CA 1.445 -0.702 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.629 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.45 ' C ' ' H ' ' A' ' 30' ' ' VAL . 18.6 pt20 -104.13 -175.82 2.91 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.14 -0.689 . . . . 0.0 109.14 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 57.9 t30 70.43 -15.35 0.36 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 123.749 0.656 . . . . 0.0 111.748 176.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.45 ' H ' ' C ' ' A' ' 28' ' ' GLN . 10.4 m -90.26 64.24 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-O 122.081 0.943 . . . . 0.0 110.812 179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.1 m120 -135.97 18.53 3.24 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 114.93 -1.032 . . . . 0.0 109.55 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.7 mmtp -88.95 142.58 27.52 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.01 -177.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.9 127.66 37.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 108.607 -0.886 . . . . 0.0 108.607 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.1 t -80.26 157.74 26.38 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.075 0.464 . . . . 0.0 111.099 -173.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.483 ' HA ' ' HB2' ' A' ' 80' ' ' GLN . 43.3 m -98.72 7.47 46.04 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.106 177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.58 117.16 18.74 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.41 179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 77.7 mtp -99.12 147.78 24.73 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 121.486 0.66 . . . . 0.0 111.261 179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.565 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 19.2 t-80 -107.69 126.83 53.08 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.908 -1.042 . . . . 0.0 108.782 174.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.6 tp -120.73 128.7 53.18 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.194 -177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 29.3 ttt180 -121.3 113.26 19.67 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.08 174.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 86.4 t80 -110.95 105.74 14.62 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 172.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.564 ' O ' ' HB3' ' A' ' 46' ' ' SER . 8.5 t70 -74.19 120.25 19.5 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.26 -174.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.506 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 62.8 mt -80.24 -37.34 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -178.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -61.64 -57.66 11.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.252 -177.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -91.05 13.94 15.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.215 -175.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 83.0 p -68.37 146.11 53.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.651 0.262 . . . . 0.0 110.793 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.5 m -75.96 15.93 0.48 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.75 0.31 . . . . 0.0 111.628 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.46 ' HB3' ' HB2' ' A' ' 52' ' ' TYR . 87.5 mt -80.35 124.04 82.67 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 116.673 -0.24 . . . . 0.0 110.451 179.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 52' ' ' TYR . 73.1 Cg_exo -51.13 160.58 2.01 Favored 'Trans proline' 0 CA--C 1.535 0.529 0 C-N-CA 123.335 2.69 . . . . 0.0 112.87 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.89 -31.43 33.83 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 123.363 2.708 . . . . 0.0 112.601 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -53.76 -50.05 66.87 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 120.966 0.412 . . . . 0.0 110.716 176.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' HB2' ' HB3' ' A' ' 48' ' ' LEU . 95.6 m-85 -69.98 -40.98 75.04 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.55 -179.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.506 ' HE3' ' O ' ' A' ' 43' ' ' ILE . 42.3 mmtm -50.28 -53.14 30.59 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.328 175.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -55.82 -47.33 77.39 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.174 -0.467 . . . . 0.0 112.105 -177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.477 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 16.6 mmt-85 -60.49 -39.61 88.34 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.605 0.24 . . . . 0.0 111.633 -179.302 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.8 -47.76 43.79 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 76.4 mt -62.64 -27.96 69.58 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.078 -178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.29 16.05 25.64 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 111.675 0.25 . . . . 0.0 111.675 -177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.07 157.58 18.28 Favored 'General case' 0 N--CA 1.444 -0.747 0 CA-C-O 121.345 0.593 . . . . 0.0 110.664 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -100.42 16.0 25.99 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.029 179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -86.24 144.36 27.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.051 -0.977 . . . . 0.0 110.436 -174.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 6.8 m -76.58 -14.63 59.99 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.079 -0.964 . . . . 0.0 111.687 -177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.412 ' HB3' HD12 ' A' ' 70' ' ' ILE . 27.9 mmt180 -67.62 -26.33 66.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.053 0.454 . . . . 0.0 110.114 176.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 46.4 mm -77.99 115.26 19.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.052 179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 28.2 p -106.92 159.67 16.09 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.208 -177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 p -70.55 -25.86 63.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.219 0.533 . . . . 0.0 110.508 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -70.04 -30.19 67.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.41 0.624 . . . . 0.0 109.647 176.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.99 39.39 5.48 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.597 176.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.476 ' CG1' ' HG3' ' A' ' 40' ' ' ARG . 59.1 t -141.06 137.74 34.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.75 0.31 . . . . 0.0 110.956 -178.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.554 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 40.9 mm -84.26 109.41 17.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 171.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.2 t -117.54 126.49 74.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.385 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -144.22 163.08 34.69 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.388 0.613 . . . . 0.0 111.151 177.309 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -136.98 106.47 6.11 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.672 -1.149 . . . . 0.0 108.157 178.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -111.99 114.31 27.13 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 -168.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -121.16 30.29 6.9 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 166.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -57.18 -40.8 78.07 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 114.26 -1.337 . . . . 0.0 111.045 -175.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.456 ' HD1' ' H ' ' A' ' 79' ' ' THR . 3.8 t80 -102.1 160.99 14.03 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -64.8 -41.61 95.68 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.75 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.456 ' H ' ' HD1' ' A' ' 77' ' ' TYR . 3.3 p -101.93 145.37 29.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.692 -176.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.483 ' HB2' ' HA ' ' A' ' 35' ' ' SER . 8.3 tt0 -69.46 -36.87 77.01 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.086 -178.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.504 ' CD ' ' H ' ' A' ' 81' ' ' GLU . 1.4 mp0 -58.59 -37.83 76.64 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.658 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -75.1 -38.92 61.01 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.243 178.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -56.91 -39.74 75.0 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.939 0.4 . . . . 0.0 110.346 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -55.9 -57.32 12.55 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.215 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.66 -34.73 74.39 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.434 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -63.02 -53.1 59.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.792 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.44 -45.76 92.5 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.614 -0.721 . . . . 0.0 111.617 -178.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.7 mt -62.94 -35.27 79.56 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.239 -178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.5 -53.14 46.73 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.849 179.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -67.5 -28.49 67.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.726 -177.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -61.56 -50.85 70.98 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 175.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.9 t -65.34 -36.57 84.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.295 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -63.02 -47.82 81.41 Favored 'General case' 0 C--O 1.221 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.877 178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -56.72 -40.58 75.94 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 123.311 0.382 . . . . 0.0 110.907 -178.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 87.6 mt -56.61 -48.9 79.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.047 0.451 . . . . 0.0 110.979 179.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.53 HG12 ' HE2' ' A' ' 100' ' ' LYS . 36.5 t -76.46 -34.17 24.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.255 0.55 . . . . 0.0 110.105 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -53.39 -54.82 31.23 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.374 178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.3 -32.35 64.53 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.722 -179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.477 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -72.44 -23.8 61.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.339 -178.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.53 ' HE2' HG12 ' A' ' 96' ' ' VAL . 66.1 mttm -85.69 -26.52 25.9 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.842 0.353 . . . . 0.0 111.295 -177.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.18 114.94 21.04 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.934 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -87.98 -66.27 0.93 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.229 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 -127.82 83.22 2.14 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.989 179.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -139.54 115.92 10.56 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.152 0.501 . . . . 0.0 111.878 -177.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -94.29 165.18 12.72 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 170.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 65.27 94.45 0.06 Allowed 'General case' 0 CA--C 1.531 0.243 0 O-C-N 123.674 0.609 . . . . 0.0 111.036 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.5 t-80 -120.06 6.9 10.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.406 0.622 . . . . 0.0 109.568 175.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.552 -0.737 . . . . 0.0 109.839 177.687 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.413 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 56.4 ttp . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 121.083 0.468 . . . . 0.0 110.465 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.404 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 58.8 tp -88.15 99.97 12.6 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.632 -178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.8 t -84.28 109.89 18.15 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.062 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.978 177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 58.4 mt -79.9 -43.08 22.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.633 0.73 . . . . 0.0 109.938 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.9 m -151.5 172.47 15.94 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.14 -0.937 . . . . 0.0 108.731 177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -45.69 -46.69 15.0 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 112.525 0.565 . . . . 0.0 112.525 -176.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -106.25 13.79 28.37 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.5 t -124.62 117.5 50.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.413 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 22.8 m80 -131.4 135.77 47.46 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.899 -176.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 10' ' ' LEU . 27.0 mt -113.07 104.57 55.82 Favored Pre-proline 0 C--N 1.321 -0.644 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 173.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -57.77 145.52 89.87 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.871 2.381 . . . . 0.0 112.149 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -55.91 -40.82 73.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.308 -179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.2 -29.84 70.93 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.734 -1.121 . . . . 0.0 112.824 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -89.44 2.25 54.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.995 0.426 . . . . 0.0 111.587 -173.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.406 HG22 ' HG ' ' A' ' 17' ' ' LEU . 58.5 mt -100.18 102.48 13.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.485 176.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 8.5 tp10 -81.99 104.24 12.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.229 0.538 . . . . 0.0 110.301 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.476 HD13 ' HE ' ' A' ' 84' ' ' ARG . 90.4 mt -110.38 134.61 52.14 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.629 -178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.92 156.17 47.48 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.349 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.54 127.76 51.32 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.9 mt -89.11 112.43 24.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 63.9 mtt180 -76.28 155.13 34.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.981 -174.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -117.65 109.36 16.56 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.33 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -97.3 141.19 30.7 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.277 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' HA3' HG21 ' A' ' 30' ' ' VAL . . . -130.51 124.85 4.4 Favored Glycine 0 N--CA 1.443 -0.888 0 C-N-CA 120.976 -0.63 . . . . 0.0 111.806 -178.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.7 156.24 28.57 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.705 -0.248 . . . . 0.0 110.584 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 107.26 -143.25 15.86 Favored Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.843 -0.694 . . . . 0.0 111.84 -178.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -130.6 49.54 0.92 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.901 -0.666 . . . . 0.0 111.78 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -124.29 156.57 36.71 Favored 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 -178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -68.95 105.52 2.42 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-O 121.379 0.609 . . . . 0.0 111.281 -176.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.44 HG21 ' HA3' ' A' ' 24' ' ' GLY . 4.1 m -131.5 89.63 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.246 -0.888 . . . . 0.0 109.738 176.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -131.61 17.83 4.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.504 0.668 . . . . 0.0 110.474 -173.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.6 tttp -106.13 139.7 40.24 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.078 -178.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.77 24.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.71 0.767 . . . . 0.0 111.372 -172.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 42.9 t 64.0 167.68 0.16 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.858 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.584 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 44.6 m -134.69 7.44 3.52 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.863 178.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.99 102.65 11.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.32 -176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 94.4 mmm -96.62 141.44 29.87 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.788 177.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -119.21 126.93 52.71 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.682 -177.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' HG ' HD23 ' A' ' 17' ' ' LEU . 8.3 mp -115.36 136.88 52.63 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.79 -177.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.48 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 26.7 ttt180 -126.32 124.54 40.51 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.476 -0.783 . . . . 0.0 109.242 173.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -121.0 100.46 7.09 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 120.868 0.365 . . . . 0.0 110.064 178.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.89 92.72 1.28 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.194 177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.542 HD13 ' HB3' ' A' ' 56' ' ' LEU . 64.6 mt -57.43 -37.12 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 121.43 0.634 . . . . 0.0 110.261 178.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -68.89 -44.59 72.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.3 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.68 -22.81 25.87 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -171.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.4 p -61.81 161.89 9.61 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 111.544 -177.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.7 p -88.28 23.19 2.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.923 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 47.1 mt -68.55 148.13 98.09 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.137 177.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -60.4 141.27 95.19 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.604 2.203 . . . . 0.0 111.492 174.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.537 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 9.5 Cg_endo -50.94 -38.79 59.2 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.432 2.755 . . . . 0.0 112.895 -177.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -55.37 -49.15 73.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.204 0.526 . . . . 0.0 111.185 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 77.2 m-85 -70.83 -36.67 73.02 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.941 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.428 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 94.0 mttt -58.87 -41.64 87.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.965 176.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.537 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 48.1 mt-10 -59.74 -46.03 90.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.829 0.347 . . . . 0.0 111.002 179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 21.9 mmt180 -62.35 -36.13 81.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.402 178.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 43' ' ' ILE . 94.4 mt -73.3 -46.16 51.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.154 178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 89.9 mt -63.1 -39.13 93.78 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.238 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.8 45.3 0.97 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.466 178.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 0.9 OUTLIER -84.64 -173.17 4.58 Favored 'General case' 0 N--CA 1.443 -0.785 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.066 178.822 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -114.47 16.29 17.73 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.594 -175.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -87.14 173.23 9.37 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.76 -176.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.6 m -119.76 -16.88 8.7 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.694 -175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 63' ' ' ARG . 55.9 mtt-85 -94.07 -14.99 25.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.025 0.44 . . . . 0.0 110.062 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.0 mt -60.93 114.48 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.183 170.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.62 162.29 24.3 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 -176.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.9 m -86.72 10.42 15.85 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -166.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -106.75 0.11 23.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.541 0.686 . . . . 0.0 109.374 173.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.12 53.67 2.0 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.407 177.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.8 t -138.34 135.27 44.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.993 0.425 . . . . 0.0 110.778 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -97.96 133.09 41.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.386 173.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -133.2 129.87 57.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.756 -0.202 . . . . 0.0 110.73 -177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.3 mp -141.58 164.44 30.22 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 177.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -142.57 106.38 4.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 121.726 0.774 . . . . 0.0 109.956 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.78 102.0 14.7 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 115.091 -0.958 . . . . 0.0 110.495 -175.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -132.77 46.75 2.58 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.141 177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.655 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -108.35 -43.06 4.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.719 -1.128 . . . . 0.0 111.301 -173.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.35 168.84 11.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.708 0.289 . . . . 0.0 110.99 -175.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.412 HH11 ' HD3' ' A' ' 78' ' ' ARG . 40.1 ttt-85 -68.89 -42.91 76.29 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -173.211 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.8 p -108.93 157.88 18.22 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.81 0.338 . . . . 0.0 111.455 -175.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.584 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 89.0 mt-30 -63.84 -43.37 96.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.424 -178.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -62.36 -37.4 85.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.555 -175.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -70.61 -39.7 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.894 179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 55.0 m-80 -66.75 -37.32 84.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.197 0.523 . . . . 0.0 109.828 174.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.476 ' HE ' HD13 ' A' ' 17' ' ' LEU . 36.9 ttt180 -62.88 -48.8 77.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.194 179.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.53 89.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.065 179.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -56.47 -52.74 63.58 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.18 0.514 . . . . 0.0 110.874 178.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.05 -44.26 91.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.001 -0.999 . . . . 0.0 111.45 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.97 -42.26 94.73 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.865 0.365 . . . . 0.0 111.103 179.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 6.4 tt -60.23 -51.56 69.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.296 0.57 . . . . 0.0 109.536 177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 31.1 ttt180 -62.66 -42.78 99.8 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.286 -178.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.1 tt -62.16 -48.17 81.28 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.298 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 22.7 t -63.23 -39.4 94.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.765 -179.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -67.09 -43.74 81.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.129 0.49 . . . . 0.0 109.956 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.45 -44.1 76.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.459 178.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.541 ' HA ' HD21 ' A' ' 56' ' ' LEU . 70.7 mt -57.96 -49.27 81.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.108 179.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.0 t -66.44 -41.46 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.111 0.481 . . . . 0.0 110.417 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.455 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 7.2 t-20 -63.43 -34.58 78.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.791 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.07 -32.17 70.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.999 0.428 . . . . 0.0 111.446 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.71 -18.72 62.8 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.937 179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -95.32 -21.25 18.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.538 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 78.1 mt -83.17 109.74 17.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.959 -173.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -80.2 98.62 7.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.599 175.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -67.32 107.31 2.35 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.97 176.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -84.53 82.63 8.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.446 0.641 . . . . 0.0 110.715 -177.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 26.8 t-80 -176.16 130.46 0.23 Allowed 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 174.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 31.1 m170 -76.17 142.97 41.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.888 0.375 . . . . 0.0 111.103 -172.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 69.12 -78.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.958 -1.019 . . . . 0.0 111.554 -178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 84.2 m-70 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.927 -0.559 . . . . 0.0 110.266 -178.834 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ttt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 109.557 -0.535 . . . . 0.0 109.557 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.671 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -95.59 100.83 12.52 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.748 -176.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.5 t -87.16 110.48 20.52 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.922 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.177 179.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.1 mt -94.34 -65.94 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.059 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 t -127.92 -170.71 2.29 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -66.8 -45.39 78.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 -177.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 67.0 t30 -96.77 2.38 51.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.174 0.512 . . . . 0.0 111.459 -175.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 47.9 t -125.19 116.89 48.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.071 0.462 . . . . 0.0 110.684 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 20.3 m80 -135.48 141.39 45.33 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 175.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.671 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 69.7 mt -106.9 101.92 39.81 Favored Pre-proline 0 C--N 1.317 -0.817 0 CA-C-O 120.856 0.36 . . . . 0.0 110.09 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -61.92 147.31 95.47 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.587 2.191 . . . . 0.0 111.445 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.75 -33.69 64.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.601 179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.58 -25.18 67.29 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.494 178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -89.39 -4.51 58.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.224 0.535 . . . . 0.0 110.51 -177.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.553 HG22 ' HG ' ' A' ' 17' ' ' LEU . 45.2 mm -115.13 121.71 67.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.494 -177.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.546 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 31.5 tt0 -101.7 95.35 6.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.116 0.484 . . . . 0.0 109.934 175.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.553 ' HG ' HG22 ' A' ' 15' ' ' ILE . 94.9 mt -100.31 109.36 21.56 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 174.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.69 126.96 55.82 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-O 120.907 0.384 . . . . 0.0 111.276 -178.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.98 120.0 32.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.302 178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.1 mt -117.54 160.17 17.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 -176.279 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -91.97 -168.71 2.07 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 175.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -146.67 137.67 24.12 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.107 176.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.569 ' HA ' HG21 ' A' ' 30' ' ' VAL . 65.0 tt0 -88.11 133.39 34.01 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.27 0.557 . . . . 0.0 109.829 178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.5 90.53 1.34 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.107 -0.951 . . . . 0.0 111.055 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.24 114.16 1.04 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.34 0.67 . . . . 0.0 111.389 -176.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.77 -3.09 8.05 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -176.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.47 52.08 11.12 Favored Glycine 0 N--CA 1.443 -0.885 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.358 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -90.97 5.92 46.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.662 0.267 . . . . 0.0 111.211 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 57.84 91.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.01 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.569 HG21 ' HA ' ' A' ' 23' ' ' GLN . 2.5 m -90.1 87.8 2.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.688 0.756 . . . . 0.0 111.581 -176.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.5 t30 -97.74 18.3 16.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.043 0.925 . . . . 0.0 109.113 175.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.4 mtpp -117.98 154.83 31.3 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.839 -177.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.2 p -86.39 137.77 20.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-O 121.128 0.489 . . . . 0.0 110.444 -179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.3 m -103.91 164.41 11.71 Favored 'General case' 0 N--CA 1.441 -0.906 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.803 -178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.6 p -90.57 29.47 1.3 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.295 -0.411 . . . . 0.0 112.007 -176.669 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.2 114.72 25.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.191 0.52 . . . . 0.0 111.396 -176.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.732 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 70.4 mtp -114.57 154.48 28.23 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 121.111 0.481 . . . . 0.0 111.003 174.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -123.9 131.49 53.59 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.3 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.7 mp -113.57 139.95 48.57 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.268 177.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.546 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 38.9 ttt180 -144.54 107.51 4.5 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.159 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.529 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 57.5 t80 -123.34 112.98 18.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.091 0.472 . . . . 0.0 111.101 -176.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 46' ' ' SER . 1.2 m-20 -75.03 97.77 3.48 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.472 176.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 57.1 mt -71.21 -34.6 55.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.414 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -43.67 92.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.485 -176.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -106.68 15.99 25.04 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -177.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 42' ' ' ASP . 96.3 p -72.47 177.05 4.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.017 0.437 . . . . 0.0 111.367 -177.755 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.9 t -85.84 3.57 41.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.545 HD11 HD21 ' A' ' 10' ' ' LEU . 8.9 mp -68.43 136.97 90.96 Favored Pre-proline 0 CA--C 1.521 -0.172 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.586 178.078 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -57.75 145.64 89.2 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.602 2.201 . . . . 0.0 111.311 174.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_endo -47.99 -37.56 29.93 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.684 2.923 . . . . 0.0 113.147 -175.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.526 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 88.6 t80 -57.82 -54.08 50.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 0.0 111.401 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -69.23 -40.68 77.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.876 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 39.6 ttmt -59.54 -46.5 88.68 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.966 -179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.49 -45.62 91.17 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.623 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' A' ' 51' ' ' PHE . 57.4 mtp85 -58.74 -43.79 90.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 85.4 mt -65.17 -45.42 85.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.268 0.556 . . . . 0.0 111.085 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 73.4 mt -60.76 -29.04 69.17 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.96 -179.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -106.44 31.58 5.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.816 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 59' ' ' LEU . 8.0 mt -87.59 170.05 11.63 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.023 0.44 . . . . 0.0 111.056 178.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.92 16.06 25.69 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.647 0.737 . . . . 0.0 109.128 -179.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -79.8 165.47 22.72 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.995 -174.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.2 p -105.9 -12.27 15.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.712 -0.677 . . . . 0.0 112.132 -176.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -87.34 -39.57 15.22 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 177.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 62.0 mt -84.38 118.13 31.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.088 175.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.1 p -87.53 156.22 19.62 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.886 -0.326 . . . . 0.0 110.447 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 m -69.6 -7.61 40.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 178.194 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -74.79 -18.77 60.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.318 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' CD2' ' A' ' 57' ' ' LEU . . . 105.0 13.76 24.46 Favored Glycine 0 N--CA 1.447 -0.607 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.594 178.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.5 t -128.47 135.82 61.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -178.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.556 HG12 HD11 ' A' ' 72' ' ' LEU . 12.0 tt -99.72 120.6 49.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 174.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.1 t -112.21 132.28 61.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.104 -176.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.583 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 4.0 mp -136.99 160.46 38.86 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.238 0.542 . . . . 0.0 110.251 -178.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -130.35 104.85 7.51 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 174.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.732 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -87.86 101.8 14.08 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.404 -174.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.1 87.23 1.26 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.195 179.272 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -139.5 -42.42 0.45 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.175 0.512 . . . . 0.0 110.318 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.85 178.15 8.31 Favored 'General case' 0 N--CA 1.445 -0.712 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.256 -178.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -70.55 -43.24 69.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.808 -177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 31.4 p -112.7 161.14 17.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.842 0.353 . . . . 0.0 111.5 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -67.92 -35.49 78.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.552 0.692 . . . . 0.0 109.268 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -59.47 -37.68 78.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.887 -176.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -75.5 -40.43 57.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.826 0.346 . . . . 0.0 110.68 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.585 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 91.3 m-20 -63.39 -34.42 77.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.241 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.4 ttt180 -55.31 -48.69 73.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.744 175.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.47 -42.43 74.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.701 -0.682 . . . . 0.0 111.516 -176.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.66 -49.43 76.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.271 0.557 . . . . 0.0 110.354 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.19 -42.71 99.06 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.89 -177.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -66.8 -37.71 85.07 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.905 0.383 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.95 -43.12 83.97 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.3 0.572 . . . . 0.0 109.753 176.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 90' ' ' ARG . 3.8 ttt180 -61.17 -41.42 96.75 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.793 -178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 49.3 tp -58.63 -51.41 70.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.628 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.0 m -60.76 -44.9 96.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.301 -0.863 . . . . 0.0 110.893 -179.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -59.21 -41.07 87.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.505 178.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -60.29 -47.11 87.4 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.6 mt -58.09 -47.81 85.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.071 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.29 -41.67 93.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 -179.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -66.71 -38.3 86.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.329 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.35 -14.61 63.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.712 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.25 -34.83 71.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.946 0.403 . . . . 0.0 110.887 178.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 100' ' ' LYS . 0.7 OUTLIER -96.01 -20.41 18.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.266 -179.069 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 86.1 mt -86.11 125.01 33.16 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.549 178.049 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.68 14.57 4.42 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.133 0.492 . . . . 0.0 111.004 179.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -144.15 178.68 7.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.367 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 47.0 t-80 -60.48 -50.88 71.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.9 t60 68.12 -69.12 0.15 Allowed 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.684 0.615 . . . . 0.0 110.645 -178.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 107' ' ' HIS . 4.2 t60 178.02 -101.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 177.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.516 ' HB2' ' O ' ' A' ' 106' ' ' HIS . 17.7 t-80 171.91 -65.62 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.77 0.669 . . . . 0.0 109.248 171.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 36.5 t-80 . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.442 -0.789 . . . . 0.0 109.559 174.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 ttm . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.894 0.378 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 10' ' ' LEU . 3.8 mm? -97.17 103.3 15.22 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 121.208 0.528 . . . . 0.0 110.168 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.9 t -80.67 110.85 16.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.982 177.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.1 mt -93.73 -41.47 12.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.283 0.563 . . . . 0.0 110.032 179.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.6 t -148.52 -177.2 5.64 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.154 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -58.08 -48.29 80.59 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 123.153 0.283 . . . . 0.0 111.489 -177.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -111.89 19.26 18.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.37 0.605 . . . . 0.0 110.581 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.49 118.49 53.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.747 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 66.9 m80 -139.06 143.53 38.4 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.583 -175.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.77 ' HB2' ' HB2' ' A' ' 2' ' ' LEU . 76.4 mt -109.45 103.62 53.24 Favored Pre-proline 0 C--N 1.322 -0.615 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 170.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.78 140.11 78.45 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.678 2.252 . . . . 0.0 111.486 177.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -53.12 -39.04 63.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.16 -178.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.82 -27.42 69.31 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.632 -178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -84.63 0.12 51.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.057 0.456 . . . . 0.0 111.201 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -113.66 118.37 58.05 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.425 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.571 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 10.6 tp10 -73.86 103.74 4.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.958 0.409 . . . . 0.0 110.334 -177.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.0 mt -102.2 111.27 23.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.109 -179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.656 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.2 m -119.86 158.77 25.95 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.214 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.01 134.02 52.58 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 177.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.519 HD11 ' HB2' ' A' ' 38' ' ' HIS . 53.9 mt -106.13 99.28 8.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 120.875 0.369 . . . . 0.0 110.055 179.327 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -80.43 128.76 33.95 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 176.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.06 113.19 25.26 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.183 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -73.96 132.65 42.64 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.913 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -117.33 -100.79 2.12 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.338 -176.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 69.37 106.5 0.06 Allowed 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 123.161 0.584 . . . . 0.0 110.676 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -171.39 -143.29 3.97 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.674 -177.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.69 -42.33 47.26 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.111 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -97.86 120.39 38.16 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 29.7 p-10 -54.85 142.59 28.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.128 -0.942 . . . . 0.0 111.21 -178.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.6 p -112.35 105.44 18.8 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-O 122.205 1.002 . . . . 0.0 111.626 -176.025 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -111.58 13.87 21.3 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.467 -1.242 . . . . 0.0 108.478 175.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -108.71 114.21 27.82 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 114.057 -1.428 . . . . 0.0 110.032 -176.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.442 ' O ' ' HB3' ' A' ' 34' ' ' SER . 7.3 p -84.62 32.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.742 0.782 . . . . 0.0 110.981 -173.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.442 ' HB3' ' O ' ' A' ' 33' ' ' VAL . 40.4 t 66.32 166.61 0.21 Allowed 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.378 -177.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.57 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 12.2 p -123.55 10.19 9.09 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.822 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -84.51 116.74 23.28 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.039 -0.982 . . . . 0.0 112.017 -172.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.572 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 2.2 mmt -100.66 145.6 28.21 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.212 -0.904 . . . . 0.0 109.04 172.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.656 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 34.3 t-80 -115.56 123.36 48.28 Favored 'General case' 0 C--N 1.314 -0.952 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 178.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.9 mp -118.94 124.44 47.06 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.416 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.571 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 19.8 ttt180 -118.92 113.3 20.81 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 171.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -113.46 104.89 12.73 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.086 178.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -78.82 100.13 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.154 177.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.21 -38.17 79.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.252 0.548 . . . . 0.0 109.911 178.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 -56.42 -52.07 66.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.594 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.69 14.46 31.89 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -170.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 9.7 p -96.39 161.37 13.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 122.152 -0.343 . . . . 0.0 110.754 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 p -78.73 41.51 0.42 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.052 -177.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.54 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 58.6 mt -86.48 147.96 45.52 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 176.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.444 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 16.7 Cg_exo -69.25 141.95 48.78 Favored 'Trans proline' 0 CA--C 1.533 0.438 0 C-N-CA 122.476 2.118 . . . . 0.0 111.477 173.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 78.2 Cg_exo -51.38 -38.63 63.37 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 123.407 2.738 . . . . 0.0 113.39 -177.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -53.6 -50.54 65.42 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.024 0.44 . . . . 0.0 111.262 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -72.36 -31.82 65.94 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.274 -177.158 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.54 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 93.0 mttt -63.99 -40.09 95.6 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -60.31 -46.91 88.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.664 178.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.445 ' HG3' ' HA ' ' A' ' 99' ' ' ALA . 13.9 mmt180 -64.91 -34.79 79.25 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -177.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' A' ' 95' ' ' ILE . 93.1 mt -66.75 -45.09 79.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.112 0.482 . . . . 0.0 110.334 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 47.7 mt -70.13 -17.64 63.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.598 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -91.92 5.61 49.38 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.432 179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.6 mt -84.39 153.17 23.59 Favored 'General case' 0 N--CA 1.427 -1.595 0 CA-C-O 120.935 0.398 . . . . 0.0 110.086 179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' OD1' ' HB2' ' A' ' 107' ' ' HIS . 8.4 t-20 -96.77 16.11 20.06 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-O 121.631 0.729 . . . . 0.0 109.767 -178.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -83.78 133.73 34.76 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.51 -174.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.488 ' HB2' ' CE1' ' A' ' 107' ' ' HIS . 23.2 t -84.31 -3.6 58.35 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 112.991 0.737 . . . . 0.0 112.991 -172.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -86.44 -15.15 41.13 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 177.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.459 HG12 HD11 ' A' ' 70' ' ' ILE . 64.4 mt -81.03 108.24 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-N 114.995 -1.002 . . . . 0.0 109.637 176.122 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 44.2 p -76.16 156.87 33.33 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.269 -175.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.4 m -61.88 -25.99 67.88 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.232 -178.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -73.41 -14.96 61.36 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.9 178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.44 42.32 7.95 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.467 -175.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.1 t -124.0 132.07 71.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.816 0.341 . . . . 0.0 110.49 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.521 HG22 HD11 ' A' ' 72' ' ' LEU . 48.4 mm -102.51 115.49 44.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.017 178.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.0 t -110.21 126.13 67.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.08 179.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.521 HD11 HG22 ' A' ' 70' ' ' ILE . 3.0 mp -125.47 157.15 37.66 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.543 0.687 . . . . 0.0 110.935 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -129.82 104.84 7.62 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.57 -1.195 . . . . 0.0 108.472 172.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.572 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -88.15 100.02 12.64 Favored 'General case' 0 C--N 1.308 -1.201 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.898 -178.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -146.66 76.21 1.42 Allowed 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 108.547 -0.908 . . . . 0.0 108.547 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -140.92 -37.32 0.44 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.77 -177.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -83.4 164.64 19.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.86 177.046 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -68.38 -40.08 81.52 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.726 -175.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.6 p -113.57 151.74 31.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.744 0.307 . . . . 0.0 111.522 -177.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.57 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 50.6 mt-30 -61.23 -36.67 80.58 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.941 178.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -58.32 -50.77 72.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.272 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -66.53 -37.08 84.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.933 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -63.1 -40.31 97.28 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.606 -0.27 . . . . 0.0 110.274 175.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 5.1 ttt180 -62.49 -47.74 82.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.116 -179.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.56 93.19 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.371 -179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 90' ' ' ARG . 31.7 t70 -64.75 -49.51 70.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.371 -179.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.67 -43.01 89.75 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.784 -178.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 93.8 mt -63.66 -38.05 89.65 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-O 120.769 0.318 . . . . 0.0 110.857 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.3 tp -69.77 -39.71 76.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.269 179.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 86' ' ' ASP . 28.0 mtp180 -67.58 -39.16 84.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.083 179.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.76 -51.38 69.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.912 -178.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.7 p -66.51 -42.9 86.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.442 -178.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -61.29 -42.6 98.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.161 178.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.53 -42.25 82.52 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.728 -178.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.511 ' HA ' HD21 ' A' ' 56' ' ' LEU . 67.0 mt -60.74 -43.8 95.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.979 0.419 . . . . 0.0 110.998 -179.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.7 t -74.01 -34.64 39.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 121.309 0.576 . . . . 0.0 110.195 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.435 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 2.4 t-20 -64.4 -41.95 96.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.48 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -35.27 68.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.004 -178.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.445 ' HA ' ' HG3' ' A' ' 55' ' ' ARG . . . -70.61 -18.62 62.88 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.917 0.389 . . . . 0.0 111.038 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.699 ' HA ' ' HE3' ' A' ' 100' ' ' LYS . 0.0 OUTLIER -95.38 -16.16 22.53 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.126 0.489 . . . . 0.0 110.79 -178.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 87.1 mt -97.62 126.77 43.12 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.03 -173.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -123.28 69.67 1.02 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.846 0.832 . . . . 0.0 110.07 167.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 25.6 m170 -85.44 106.7 16.99 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 177.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -60.92 -77.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.944 -166.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 21.4 p80 -168.83 122.37 0.83 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.548 0.69 . . . . 0.0 112.232 175.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -140.85 31.86 1.81 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 169.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.488 ' CE1' ' HB2' ' A' ' 62' ' ' SER . 6.3 t60 -70.18 151.72 45.07 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 113.86 -1.518 . . . . 0.0 111.328 -170.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.388 -0.815 . . . . 0.0 109.674 173.279 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.3 ttm . . . . . 0 N--CA 1.477 0.887 0 CA-C-O 120.766 0.317 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.522 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 59.8 tp -86.39 96.41 10.0 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.7 t -77.64 110.87 13.81 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.752 177.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.0 mt -99.03 -41.63 10.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.382 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -153.26 -175.22 5.25 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.883 -178.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 -176.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -107.93 12.39 27.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.398 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.73 117.19 49.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.201 0.524 . . . . 0.0 110.357 -179.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -141.09 138.91 33.88 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.429 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 66.1 mt -118.16 123.21 29.63 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.583 0.23 . . . . 0.0 110.742 177.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.482 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 32.3 Cg_exo -61.96 141.11 88.21 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 122.523 2.149 . . . . 0.0 111.362 173.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -55.96 -39.98 72.55 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.936 -177.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -61.31 -20.32 62.79 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.975 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.482 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 28.4 mt-10 -84.13 2.15 40.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.201 0.524 . . . . 0.0 111.01 -177.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.4 mt -118.19 114.15 44.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.452 176.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.629 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 29.4 tt0 -79.97 106.73 12.21 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.885 0.374 . . . . 0.0 110.034 179.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.4 mt -95.09 108.56 20.66 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.45 167.53 16.13 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.947 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -121.28 146.61 46.64 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.545 178.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.5 mt -104.88 112.02 36.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 N-CA-C 109.446 -0.576 . . . . 0.0 109.446 177.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 22' ' ' ALA . 0.4 OUTLIER -97.68 128.17 44.17 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.179 -0.464 . . . . 0.0 109.979 -176.495 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' HD3' ' A' ' 21' ' ' ARG . . . -58.86 139.27 56.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.324 -0.853 . . . . 0.0 112.203 -174.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.434 ' CD ' ' H ' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -101.71 -175.82 2.96 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.966 178.376 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.87 -147.59 11.0 Favored Glycine 0 N--CA 1.44 -1.057 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.505 177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -75.61 96.88 3.63 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.022 0.439 . . . . 0.0 110.477 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.64 -49.77 3.95 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.379 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.38 1.63 27.87 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.3 -178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -88.86 5.08 45.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.84 0.829 . . . . 0.0 110.187 -178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 24.2 p-10 -114.41 -8.93 12.8 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.014 -0.994 . . . . 0.0 110.966 -178.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 m -117.37 73.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.629 0.728 . . . . 0.0 111.447 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -96.26 16.71 17.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.84 0.828 . . . . 0.0 109.497 179.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 pttt -103.56 139.38 38.95 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.336 -1.302 . . . . 0.0 109.55 178.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 p -82.95 138.01 20.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.949 0.404 . . . . 0.0 110.034 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.1 m -91.31 153.54 19.86 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.745 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 58.8 p -84.82 -11.35 55.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.785 0.326 . . . . 0.0 110.892 -177.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.18 107.35 1.03 Allowed 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.937 179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 93.5 mmm -96.23 147.41 23.8 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.057 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -109.15 122.82 48.12 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.542 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 3.5 mm? -111.69 130.12 55.88 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.558 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 42.8 ttt180 -137.92 106.91 5.98 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 179.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -116.01 124.28 50.09 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.216 -177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -90.48 107.35 19.1 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.099 0.476 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.434 HD13 ' HB3' ' A' ' 56' ' ' LEU . 35.8 mt -78.04 -24.22 13.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 CA-C-O 121.417 0.627 . . . . 0.0 110.037 -177.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -65.24 -52.1 56.7 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.905 -175.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.6 12.73 18.58 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -171.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.5 p -74.92 172.55 12.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 117.864 0.302 . . . . 0.0 111.186 179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -79.93 16.19 1.25 Allowed 'General case' 0 CA--C 1.534 0.329 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.89 -178.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.549 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 52.1 mt -76.12 135.14 70.29 Favored Pre-proline 0 C--N 1.327 -0.372 0 CA-C-N 116.74 -0.209 . . . . 0.0 110.767 176.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 48' ' ' LEU . 31.3 Cg_exo -60.4 147.45 94.01 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.72 2.28 . . . . 0.0 111.566 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -50.0 -33.14 33.33 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 123.485 2.79 . . . . 0.0 113.041 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.594 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 78.6 t80 -55.14 -53.19 59.08 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.81 0.338 . . . . 0.0 110.767 177.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -67.78 -36.33 80.26 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.952 -179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.549 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 96.1 mttt -58.86 -51.64 69.14 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.948 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -54.35 -41.51 69.19 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 123.315 0.385 . . . . 0.0 111.934 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.594 ' HG2' ' O ' ' A' ' 51' ' ' PHE . 7.0 mmm180 -58.03 -51.26 70.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.023 0.439 . . . . 0.0 111.065 -178.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' HB3' HD13 ' A' ' 43' ' ' ILE . 87.9 mt -74.0 -42.41 60.43 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.836 -177.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 60.2 mt -67.67 -22.5 65.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.072 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -100.02 14.06 31.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.069 0.462 . . . . 0.0 110.644 176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.505 ' HG ' ' H ' ' A' ' 61' ' ' ASP . 22.4 tp -86.92 144.71 26.84 Favored 'General case' 0 N--CA 1.439 -0.986 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -91.78 15.22 13.34 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.622 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' ' 64' ' ' ILE . 10.8 t70 -70.17 132.16 45.37 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.414 -176.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 28.9 m -62.93 -19.21 64.02 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.424 -176.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -83.07 -8.54 59.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.918 0.389 . . . . 0.0 110.85 179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' ' 61' ' ' ASP . 49.3 mm -93.54 120.67 43.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.943 -0.572 . . . . 0.0 109.929 177.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.2 p -94.08 160.5 14.68 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.637 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.3 m -70.03 -14.64 62.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.126 0.489 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -78.37 -14.05 59.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.054 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.85 28.49 15.63 Favored Glycine 0 N--CA 1.449 -0.475 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.071 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.07 136.55 58.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 -178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 13.2 tt -107.91 127.85 63.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 121.03 0.443 . . . . 0.0 109.809 174.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.8 p -118.81 133.55 65.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.489 -178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.535 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.8 mp -132.81 159.45 39.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.08 0.467 . . . . 0.0 110.411 -178.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -131.94 108.48 9.4 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.009 177.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.36 101.85 13.6 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.823 -177.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -129.96 26.2 5.24 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.606 0.717 . . . . 0.0 109.428 179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -69.36 -51.66 34.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.097 -0.956 . . . . 0.0 111.088 -177.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -92.99 165.02 13.06 Favored 'General case' 0 N--CA 1.439 -1.012 0 CA-C-O 121.354 0.597 . . . . 0.0 112.578 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -68.88 -35.65 77.14 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.789 -1.096 . . . . 0.0 111.467 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.3 p -105.34 163.27 12.74 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.565 -177.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -75.57 -33.15 60.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.377 176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -58.71 -50.56 73.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.366 -175.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -67.39 -39.5 85.62 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.959 -178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -62.84 -36.42 83.16 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.713 0.292 . . . . 0.0 110.667 176.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 29.1 ttt180 -65.87 -52.53 49.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.026 0.441 . . . . 0.0 110.218 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.44 87.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.591 -176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -67.34 -51.49 51.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.757 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.28 -42.91 87.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.701 -177.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.32 -33.37 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.684 0.278 . . . . 0.0 111.187 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -72.71 -46.62 52.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 178.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 90' ' ' ARG . 19.7 mtt180 -64.33 -35.03 79.55 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.392 179.415 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 37.0 tp -66.15 -51.1 61.08 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.126 0.489 . . . . 0.0 110.922 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 5.8 p -62.62 -41.93 99.29 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.2 -178.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -63.71 -40.93 97.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.195 177.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.4 tp -56.03 -38.26 70.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 111.296 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.12 -44.05 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.745 178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 33.4 t -75.96 -33.28 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.408 0.623 . . . . 0.0 110.113 177.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -58.69 -35.74 73.1 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.511 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.46 -23.73 67.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.07 178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -85.49 -9.45 57.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 178.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -85.67 -20.41 29.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.339 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 87.2 mt -80.38 -167.21 1.25 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.396 -175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -77.65 -164.72 0.53 Allowed 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.126 178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.494 ' O ' ' HB3' ' A' ' 104' ' ' HIS . 43.3 m80 -53.41 -87.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 123.788 0.68 . . . . 0.0 112.101 -175.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.494 ' HB3' ' O ' ' A' ' 103' ' ' HIS . 49.2 p-80 168.99 37.1 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 122.893 0.477 . . . . 0.0 110.379 176.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -132.62 147.47 52.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.87 0.367 . . . . 0.0 111.374 179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -179.15 -33.93 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.188 -0.915 . . . . 0.0 108.896 174.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -132.62 -37.23 1.06 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.275 -0.875 . . . . 0.0 108.893 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--O 1.248 0.979 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.398 177.738 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.9 ttm . . . . . 0 N--CA 1.479 1.02 0 CA-C-O 121.042 0.449 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.599 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 56.6 tp -96.95 99.81 11.35 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.296 0.57 . . . . 0.0 109.856 179.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.404 HG22 ' HD2' ' A' ' 9' ' ' HIS . 47.9 t -80.39 110.69 16.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.238 176.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.0 mt -88.1 -41.88 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.126 0.489 . . . . 0.0 110.043 179.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.2 t -154.82 175.5 13.67 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 -179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -61.33 -32.85 72.74 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.884 0.374 . . . . 0.0 110.934 -177.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -103.89 9.74 36.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.689 -177.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.0 t -136.55 118.19 19.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.298 0 CA-C-O 121.053 0.454 . . . . 0.0 110.872 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.404 ' HD2' HG22 ' A' ' 3' ' ' VAL . 54.2 m80 -132.2 136.02 46.74 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.933 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.599 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 80.4 mt -108.45 105.51 56.89 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-O 120.88 0.371 . . . . 0.0 110.305 175.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.409 ' HD2' ' OE1' ' A' ' 14' ' ' GLU . 25.6 Cg_exo -64.17 141.8 77.56 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.991 2.461 . . . . 0.0 112.331 177.735 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -50.85 -41.62 58.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.641 179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.24 -22.73 67.06 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.598 -176.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.409 ' OE1' ' HD2' ' A' ' 11' ' ' PRO . 96.5 mt-10 -89.45 3.72 51.42 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.242 0.544 . . . . 0.0 111.106 -175.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.0 mt -119.47 121.8 67.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.573 177.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.574 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 14.8 tp10 -99.43 109.05 21.66 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.878 0.371 . . . . 0.0 110.404 -177.233 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -99.41 123.87 44.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.704 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.637 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -126.26 157.78 37.42 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 176.384 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -115.97 135.1 54.29 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 34' ' ' SER . 60.6 mt -98.19 103.42 14.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.115 0.483 . . . . 0.0 110.611 -177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -103.31 122.94 45.84 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.503 174.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.49 145.46 27.4 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.019 -175.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 22.2 pt20 -102.76 154.88 18.73 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.293 177.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -73.84 -65.49 2.2 Favored Glycine 0 N--CA 1.445 -0.746 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.578 -176.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 65.13 174.32 0.21 Allowed 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 123.21 0.604 . . . . 0.0 111.105 -177.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.0 -117.04 10.3 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.162 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -106.77 36.15 4.58 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.04 -0.6 . . . . 0.0 111.988 178.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? 72.48 126.92 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 123.713 0.805 . . . . 0.0 110.869 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -158.81 88.18 0.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.63 174.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 4.4 m -128.25 112.86 28.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.789 -178.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -99.57 46.0 0.98 Allowed 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.723 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.4 tttt 72.3 170.28 0.32 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 114.491 -1.231 . . . . 0.0 110.181 -178.016 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -48.83 132.22 6.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 CA-C-O 121.327 0.585 . . . . 0.0 111.23 178.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.437 ' HB2' ' O ' ' A' ' 20' ' ' ILE . 6.7 m -71.84 155.71 40.11 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.345 -177.136 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.521 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . 17.9 p -103.83 12.3 34.66 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.709 -176.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -89.65 126.76 35.76 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 121.153 0.501 . . . . 0.0 110.421 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 62.7 mtp -106.99 152.8 23.49 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.756 177.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.637 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 46.7 t-80 -120.92 122.91 41.21 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.81 -176.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.562 ' HB2' ' HG ' ' A' ' 72' ' ' LEU . 8.9 mp -114.06 133.08 55.76 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.986 -177.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.574 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.1 ttt180 -122.34 109.63 14.67 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.394 172.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.52 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 71.1 t80 -109.37 109.21 20.02 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 -78.02 87.33 4.18 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.878 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 56.9 mt -56.37 -40.44 66.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.264 0.554 . . . . 0.0 110.197 179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -56.49 -52.6 64.1 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.06 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.34 -22.2 35.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.028 -0.533 . . . . 0.0 112.409 -172.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.9 p -59.5 160.26 7.19 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.221 0.534 . . . . 0.0 112.001 -175.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 t -81.29 14.3 2.48 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.597 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.568 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 60.9 mt -62.89 141.73 97.45 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.786 0.327 . . . . 0.0 111.138 178.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -63.25 150.41 88.66 Favored 'Trans proline' 0 CA--C 1.533 0.45 0 C-N-CA 122.677 2.251 . . . . 0.0 111.88 174.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_exo -52.8 -39.33 77.72 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 123.387 2.725 . . . . 0.0 113.006 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -53.18 -46.52 68.99 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-O 121.26 0.552 . . . . 0.0 111.119 179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -71.08 -44.41 65.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.702 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.588 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 97.9 mttt -59.89 -53.33 59.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.631 -177.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.2 mm-40 -55.5 -44.16 76.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 -173.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -71.43 -31.65 67.46 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 121.153 -0.219 . . . . 0.0 111.465 -177.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.8 mt -73.31 -45.32 56.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.319 0.581 . . . . 0.0 110.667 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 89.8 mt -59.36 -40.11 85.41 Favored 'General case' 0 N--CA 1.448 -0.543 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.19 179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.22 31.16 2.85 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.092 -179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.9 tp -83.73 161.73 20.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.875 0.369 . . . . 0.0 110.148 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.503 ' OD1' ' HA ' ' A' ' 106' ' ' HIS . 9.0 t30 -84.88 4.9 31.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.624 0.726 . . . . 0.0 110.242 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.437 ' OD1' ' HB2' ' A' ' 63' ' ' ARG . 7.3 t70 -84.92 117.97 24.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.229 -175.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 16.3 m -76.31 0.29 19.88 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.173 -174.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' HB2' ' OD1' ' A' ' 61' ' ' ASP . 17.0 mtm180 -92.57 -6.17 50.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.0 109.931 175.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.8 mt -98.8 115.11 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-N 115.312 -0.858 . . . . 0.0 109.184 173.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 60.1 p -76.9 154.43 33.72 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.267 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -74.19 0.26 14.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.426 -178.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -93.26 -5.53 49.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.429 . . . . 0.0 110.465 174.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.401 ' HA2' ' CD2' ' A' ' 57' ' ' LEU . . . 91.18 34.88 7.32 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.625 -0.798 . . . . 0.0 112.897 176.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.16 131.72 65.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 178.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.52 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 13.3 tt -104.24 129.19 56.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-O 121.196 0.522 . . . . 0.0 110.052 176.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 51.6 t -118.94 132.12 69.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.97 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.562 ' HG ' ' HB2' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -141.81 159.08 42.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.43 0.633 . . . . 0.0 111.383 -179.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.5 mtmt -127.48 105.57 8.6 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.54 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.67 102.67 15.42 Favored 'General case' 0 C--N 1.311 -1.095 0 CA-C-N 115.185 -0.916 . . . . 0.0 111.009 -175.301 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.85 25.52 3.98 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.28 176.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.706 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -72.69 -43.68 62.76 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.875 -176.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -92.41 174.34 7.34 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 tpt85 -74.83 -32.55 61.97 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.651 0.611 . . . . 0.0 112.651 -170.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.6 p -124.78 164.0 20.91 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.492 0.552 . . . . 0.0 112.492 -175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.521 ' HG3' ' HA ' ' A' ' 35' ' ' SER . 50.1 mt-30 -63.78 -56.4 15.83 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.452 -178.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -55.48 -33.85 64.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.651 -174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -76.19 -40.06 53.22 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.719 177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 56.2 m-20 -62.54 -29.41 70.55 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.8 0.333 . . . . 0.0 110.445 174.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 84' ' ' ARG . 29.3 ttt180 -57.68 -55.11 39.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.407 176.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.61 73.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.954 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -63.94 -53.33 52.0 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.854 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.48 -44.69 85.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.468 -178.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 90.6 mt -62.21 -36.71 82.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.877 0.37 . . . . 0.0 110.987 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -70.69 -44.16 67.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.637 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 39.9 mtt180 -70.51 -29.7 66.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.537 179.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -68.9 -51.63 38.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.958 0.409 . . . . 0.0 110.624 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 96' ' ' VAL . 9.4 p -60.18 -44.28 95.18 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.857 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -59.98 -39.83 87.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.103 176.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.2 tt -59.31 -46.47 88.47 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 70.4 mt -60.74 -46.31 96.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.093 0.473 . . . . 0.0 111.043 -179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 92' ' ' SER . 23.3 t -73.05 -36.04 49.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.07 -176.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -69.02 -33.52 73.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.167 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -66.48 -23.62 66.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.223 179.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.22 -24.43 64.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.89 -11.57 58.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.196 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 85.2 mt -82.01 103.84 11.94 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 121.151 0.501 . . . . 0.0 111.144 -175.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -96.5 -35.61 11.06 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.195 175.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.53 ' H ' ' CD2' ' A' ' 103' ' ' HIS . 1.6 p80 -68.5 92.35 0.44 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.89 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -110.63 103.66 12.26 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.495 -177.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.9 m80 -153.09 -176.43 5.77 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.96 -1.496 . . . . 0.0 106.96 170.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.503 ' HA ' ' OD1' ' A' ' 60' ' ' ASN . 14.2 m80 -83.8 90.28 7.32 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 119.847 -0.741 . . . . 0.0 109.554 173.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -72.15 -28.81 63.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.001 -1.0 . . . . 0.0 110.383 -173.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 32.4 p80 . . . . . 0 C--O 1.247 0.969 0 CA-C-O 117.466 -1.254 . . . . 0.0 108.955 175.795 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.481 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 50.9 ttm . . . . . 0 N--CA 1.475 0.793 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.619 ' HB3' ' HB2' ' A' ' 10' ' ' LEU . 55.3 tp -84.54 99.5 10.78 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.7 t -85.34 109.77 18.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.953 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.061 177.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 63.1 mt -90.96 -41.07 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.038 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 t -153.85 -175.48 5.39 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -66.87 -42.96 84.75 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.997 0.427 . . . . 0.0 111.158 -174.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -100.17 8.42 43.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.993 -176.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.8 t -127.95 118.24 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.949 0.404 . . . . 0.0 110.506 -177.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.481 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 31.6 m80 -135.59 139.72 44.07 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.621 179.514 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.619 ' HB2' ' HB3' ' A' ' 2' ' ' LEU . 51.8 mt -117.12 116.41 37.68 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-O 120.72 0.295 . . . . 0.0 110.964 176.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 22.3 Cg_exo -65.33 145.0 82.43 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 123.05 2.5 . . . . 0.0 112.206 177.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.32 -38.27 76.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.187 0.518 . . . . 0.0 110.931 179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.89 -27.78 65.53 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.32 -0.855 . . . . 0.0 112.779 -178.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -83.45 -2.47 55.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 111.365 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mt -117.19 115.25 48.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.952 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.593 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 20.6 tt0 -83.34 115.73 22.14 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.83 0.348 . . . . 0.0 110.953 -178.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -109.23 108.35 18.93 Favored 'General case' 0 C--N 1.316 -0.878 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 168.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.468 ' OG1' ' HB3' ' A' ' 38' ' ' HIS . 7.3 p -126.77 156.58 40.99 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.362 179.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.49 135.71 50.74 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.233 176.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.535 HD11 ' HB2' ' A' ' 38' ' ' HIS . 63.2 mt -106.74 112.93 41.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 120.903 0.383 . . . . 0.0 110.733 -179.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.4 ttt180 -84.69 123.49 30.43 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 176.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -98.05 -171.29 2.13 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.899 -174.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -70.43 136.2 49.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 0.0 110.6 -179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.66 -142.71 9.25 Favored Glycine 0 N--CA 1.441 -1.005 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 -178.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 56.78 42.38 26.76 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.068 0.461 . . . . 0.0 111.135 177.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -84.64 -150.89 12.46 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.918 178.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -59.31 -55.84 28.46 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.491 -0.862 . . . . 0.0 111.487 176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 56.5 tt0 -136.15 11.96 3.31 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.945 0.878 . . . . 0.0 109.29 172.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -84.6 100.74 11.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.611 -177.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.2 t 64.97 101.79 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 121.675 0.75 . . . . 0.0 110.672 -179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -100.95 14.45 31.86 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.595 -174.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -137.08 146.29 44.97 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.472 -177.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.1 p -66.86 140.79 18.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.178 176.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -58.12 137.86 56.59 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.849 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.529 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 13.3 p -81.2 20.76 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.946 0.403 . . . . 0.0 111.635 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.47 110.53 18.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.012 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.545 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 84.6 mmm -97.13 150.61 20.67 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.054 175.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.535 ' HB2' HD11 ' A' ' 20' ' ' ILE . 57.8 t-80 -122.31 135.78 54.78 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 178.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 7.2 mp -123.63 143.66 50.1 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.53 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.593 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 7.7 tpt180 -135.86 127.82 29.53 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.859 -0.61 . . . . 0.0 109.638 177.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -144.34 102.01 3.78 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.317 178.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -75.82 103.26 5.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.119 176.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.564 HD13 HD13 ' A' ' 56' ' ' LEU . 64.4 mt -58.98 -45.19 92.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 121.153 0.501 . . . . 0.0 110.159 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -57.86 -45.12 86.76 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.31 -177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.59 11.43 39.2 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 -170.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 33.3 p -91.41 175.98 6.73 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.022 179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.7 m -85.97 16.33 4.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.982 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.589 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 67.4 mt -68.62 143.55 95.24 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-O 120.715 0.293 . . . . 0.0 111.049 177.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.454 ' HA ' ' HD3' ' A' ' 50' ' ' PRO . 27.9 Cg_exo -63.87 147.94 91.99 Favored 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.794 2.329 . . . . 0.0 112.02 175.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 76.8 Cg_exo -52.19 -39.67 70.91 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.738 2.959 . . . . 0.0 114.048 -176.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -58.6 -45.53 88.94 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.006 0.431 . . . . 0.0 110.883 -178.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -61.44 -45.17 95.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.462 178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.589 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 98.9 mttt -64.41 -36.89 85.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.166 -179.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.69 -55.92 28.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 111.278 -178.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -58.35 -34.8 71.05 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.043 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.564 HD13 HD13 ' A' ' 43' ' ' ILE . 77.4 mt -73.07 -46.35 52.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.407 178.35 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 33.8 mt -63.94 -21.82 66.65 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.797 -178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.38 30.49 7.08 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.93 179.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.512 HD23 ' H ' ' A' ' 60' ' ' ASN . 0.4 OUTLIER -90.37 155.5 18.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.793 178.663 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' H ' HD23 ' A' ' 59' ' ' LEU . 65.2 t30 -84.93 13.47 5.93 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.946 -179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -84.99 140.76 30.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.487 -175.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.4 m -100.07 -0.98 38.01 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.41 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -79.77 -36.88 36.52 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 173.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.503 HG12 HD11 ' A' ' 70' ' ' ILE . 79.8 mt -64.03 112.99 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.333 -1.303 . . . . 0.0 110.279 172.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 22.3 p -76.41 163.34 27.06 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.055 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.0 m -62.39 -25.94 68.2 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.576 -176.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -76.82 -15.54 59.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.399 0.619 . . . . 0.0 110.695 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.36 46.97 4.8 Favored Glycine 0 N--CA 1.448 -0.56 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 -175.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.404 HG11 ' CZ ' ' A' ' 40' ' ' ARG . 48.7 t -128.74 139.52 51.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 120.686 0.279 . . . . 0.0 111.427 -176.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.503 HD11 HG12 ' A' ' 64' ' ' ILE . 35.2 mm -105.65 127.96 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.982 174.003 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.2 t -127.44 132.45 69.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.71 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 3.7 mp -130.74 161.26 32.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.202 0.525 . . . . 0.0 111.13 -178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 37' ' ' MET . 18.2 ptpt -153.29 115.1 4.28 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.428 173.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.38 121.35 44.09 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.178 -174.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -133.04 19.71 4.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.956 -179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -68.8 -58.89 3.55 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.905 -171.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -80.94 170.04 16.77 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -175.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -76.47 -15.27 59.95 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.212 -175.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.7 p -118.1 149.35 41.17 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.936 -178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.529 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 91.9 mt-30 -70.63 -31.87 68.98 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 174.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -62.3 -52.03 65.33 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.847 -178.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -67.58 -34.94 78.06 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.228 -0.189 . . . . 0.0 111.03 -178.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -65.98 -37.85 87.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.15 174.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.446 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 40.2 ttt180 -65.31 -52.14 56.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.383 178.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -58.79 -44.41 90.72 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.485 -179.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -63.12 -48.19 79.58 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.344 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.7 -40.68 80.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.865 -179.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.9 mt -63.67 -44.79 92.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.919 0.39 . . . . 0.0 110.777 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.504 ' O ' ' HB2' ' A' ' 93' ' ' GLU . 2.2 tm? -67.64 -43.98 79.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.418 0.627 . . . . 0.0 109.312 178.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 -59.91 -40.73 89.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.155 -0.929 . . . . 0.0 111.049 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.516 ' O ' HG13 ' A' ' 95' ' ' ILE . 37.0 tp -66.97 -51.55 53.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.842 -179.07 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.482 ' HB3' HD21 ' A' ' 2' ' ' LEU . 10.8 p -61.79 -40.79 96.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.906 -179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.504 ' HB2' ' O ' ' A' ' 89' ' ' LEU . 0.9 OUTLIER -58.43 -45.8 87.74 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.878 175.018 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.51 -40.09 93.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.864 179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 91' ' ' LEU . 85.1 mt -58.78 -45.3 91.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.724 178.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.1 t -63.74 -44.67 98.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.193 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -60.75 -37.97 83.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.18 179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.408 ' HB1' HD21 ' A' ' 56' ' ' LEU . . . -62.26 -33.5 74.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.791 -177.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -75.36 -15.43 60.48 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.572 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -95.58 -25.73 16.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.975 -178.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 95.5 mt -95.35 167.3 11.42 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.91 -173.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.509 ' HG2' ' HA ' ' A' ' 59' ' ' LEU . 6.6 tp10 63.75 89.87 0.09 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.618 175.015 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -151.13 136.36 17.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.785 179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 64.16 18.57 11.33 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.239 0.542 . . . . 0.0 110.733 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.483 ' HB3' ' OE1' ' A' ' 102' ' ' GLU . 38.8 t-80 -133.69 -82.41 0.46 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.78 -177.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 93.6 m-70 56.21 104.16 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 123.691 0.796 . . . . 0.0 112.766 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 -123.43 106.22 10.46 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.998 179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 68.2 t60 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.442 -0.79 . . . . 0.0 109.968 176.872 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' HB3' ' A' ' 9' ' ' HIS . 48.2 ttm . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.735 0.303 . . . . 0.0 110.658 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 pp -118.45 116.17 26.14 Favored 'General case' 0 N--CA 1.439 -0.978 0 CA-C-O 121.656 0.741 . . . . 0.0 109.457 175.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.4 t -81.93 111.15 18.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.865 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.1 mt -85.95 -45.24 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.376 0.607 . . . . 0.0 109.542 176.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 t -146.44 -178.46 6.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.278 -0.874 . . . . 0.0 108.801 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -69.93 -33.13 71.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.125 0.488 . . . . 0.0 110.867 -176.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -99.9 0.34 41.09 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.163 0.506 . . . . 0.0 110.802 -177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 57.8 t -129.06 117.84 45.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.289 0.566 . . . . 0.0 110.971 -176.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.438 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 9.4 m80 -134.21 123.45 24.33 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 176.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.506 ' HA ' ' HD3' ' A' ' 11' ' ' PRO . 41.4 mt -102.77 134.31 19.94 Favored Pre-proline 0 C--N 1.321 -0.648 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.65 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.506 ' HD3' ' HA ' ' A' ' 10' ' ' LEU . 5.3 Cg_exo -80.46 139.22 12.75 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.388 2.726 . . . . 0.0 111.866 174.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.64 -39.79 65.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.657 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -57.18 -28.35 62.74 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -176.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -86.24 0.77 53.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.275 0.56 . . . . 0.0 111.024 -174.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.2 mt -118.94 108.66 24.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.777 177.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.545 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 11.4 tp10 -82.02 105.32 13.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.18 0.514 . . . . 0.0 110.787 -177.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 75.9 mt -96.66 109.1 21.79 Favored 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 115.485 -0.779 . . . . 0.0 109.529 176.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.616 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 m -116.63 153.84 31.57 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.23 125.89 51.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.21 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 61.2 mt -90.2 113.14 25.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.367 -177.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 76.9 mtt180 -76.71 156.17 32.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.729 178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.88 125.96 41.69 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.171 0.51 . . . . 0.0 111.55 -174.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.523 ' NE2' ' HA2' ' A' ' 26' ' ' GLY . 29.4 tt0 -119.21 137.31 53.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.911 176.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -93.43 81.34 1.04 Allowed Glycine 0 N--CA 1.446 -0.683 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.817 -174.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 67.63 22.0 9.2 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 173.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.523 ' HA2' ' NE2' ' A' ' 23' ' ' GLN . . . 102.57 127.41 6.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.429 -0.891 . . . . 0.0 113.874 173.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.01 -25.38 6.89 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 121.382 -0.437 . . . . 0.0 113.951 171.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -119.87 116.03 25.02 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.831 0.348 . . . . 0.0 111.508 -173.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.427 HD22 ' HA ' ' A' ' 29' ' ' ASN . 3.3 m120 -78.49 127.51 32.27 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 168.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.4 m -76.29 14.82 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.915 0.709 . . . . 0.0 112.915 -172.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 66.3 t30 64.81 14.9 9.5 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.895 0.855 . . . . 0.0 110.976 176.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmp? -139.92 128.85 23.45 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.0 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.0 t -94.07 123.21 46.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.894 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 50.1 m -74.12 167.16 22.12 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-O 121.172 0.511 . . . . 0.0 111.331 -178.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.535 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 6.6 p -83.98 5.56 25.18 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.61 106.31 1.43 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.484 0.659 . . . . 0.0 111.619 -177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.763 ' HB2' ' HB3' ' A' ' 74' ' ' ALA . 86.0 mmm -97.19 143.5 27.93 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.24 177.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.616 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 29.3 t-80 -108.35 119.32 39.16 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.226 -0.897 . . . . 0.0 108.903 175.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 72' ' ' LEU . 2.7 mm? -107.77 121.83 45.52 Favored 'General case' 0 C--N 1.307 -1.247 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.635 -176.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.545 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 16.5 ttt180 -121.19 103.52 9.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.644 170.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.504 ' HB3' ' CG2' ' A' ' 70' ' ' ILE . 83.6 t80 -97.07 117.6 31.61 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 173.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -82.91 127.24 33.33 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 -176.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.8 mt -103.87 -13.6 8.79 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.908 0 CA-C-O 121.284 0.564 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.458 ' HB2' ' HA3' ' A' ' 68' ' ' GLY . 17.1 t-20 -88.28 -55.04 3.9 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.947 -178.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -97.58 20.62 11.51 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.973 -173.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.8 p -91.4 160.39 15.49 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.933 0.397 . . . . 0.0 111.41 179.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.7 p -80.06 5.99 12.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.669 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 ' HB2' ' HD3' ' A' ' 53' ' ' LYS . 91.5 mt -58.66 131.33 85.72 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.999 178.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.559 ' HG2' ' CD1' ' A' ' 52' ' ' TYR . 10.2 Cg_endo -54.4 150.98 31.67 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.064 2.51 . . . . 0.0 112.312 176.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 49' ' ' PRO . 73.7 Cg_exo -50.25 -36.69 47.55 Favored 'Trans proline' 0 C--N 1.348 0.51 0 C-N-CA 123.434 2.756 . . . . 0.0 112.973 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.487 ' O ' ' HG2' ' A' ' 55' ' ' ARG . 89.2 t80 -57.31 -48.88 77.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.514 178.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.559 ' CD1' ' HG2' ' A' ' 49' ' ' PRO . 25.8 m-85 -70.74 -37.48 73.46 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.011 -178.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HD3' ' HB2' ' A' ' 48' ' ' LEU . 13.2 mmtm -50.91 -56.3 13.01 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.092 0.473 . . . . 0.0 110.771 174.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 59.9 mm-40 -60.3 -47.39 86.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.739 -177.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.592 ' NH2' ' HB3' ' A' ' 102' ' ' GLU . 27.7 mmm180 -61.51 -40.88 96.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.793 -176.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.96 -44.71 79.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.993 0.425 . . . . 0.0 110.594 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.6 mt -65.13 -27.85 69.02 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.701 179.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -101.47 19.56 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' HG ' ' H ' ' A' ' 60' ' ' ASN . 14.2 tp -78.42 169.74 17.76 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 120.962 0.411 . . . . 0.0 110.206 -178.1 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.409 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 4.7 t30 -93.13 10.46 31.57 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.373 0.606 . . . . 0.0 110.71 -177.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -93.33 118.78 31.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.113 0.482 . . . . 0.0 109.941 -176.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 18.8 m -76.22 -7.53 55.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.197 -174.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.4 mtt85 -79.79 -15.93 56.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.255 0.55 . . . . 0.0 109.518 177.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.0 mt -85.65 116.72 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.278 -0.873 . . . . 0.0 110.095 177.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 67.3 p -95.38 153.11 17.85 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.552 179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.2 m -68.2 -11.19 58.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.997 0.427 . . . . 0.0 110.831 179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -72.02 -14.4 61.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.611 0.72 . . . . 0.0 109.917 174.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 44' ' ' ASN . . . 92.76 32.32 8.11 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.309 178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.411 HG13 ' HG3' ' A' ' 40' ' ' ARG . 47.7 t -134.57 134.11 54.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.674 0.273 . . . . 0.0 110.542 179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.504 ' CG2' ' HB3' ' A' ' 41' ' ' PHE . 10.5 tt -115.22 124.38 71.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 172.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.8 t -108.61 132.65 55.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.681 -175.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.549 ' HB2' ' HB2' ' A' ' 39' ' ' LEU . 4.2 mp -133.76 161.78 33.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.97 0.414 . . . . 0.0 110.404 179.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -127.6 114.18 17.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.366 175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.763 ' HB3' ' HB2' ' A' ' 37' ' ' MET . . . -96.9 101.44 13.02 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.497 175.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -138.82 13.28 2.69 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.548 0.689 . . . . 0.0 109.599 -174.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -80.89 -41.7 22.63 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.377 -174.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -89.39 171.58 9.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-O 120.924 0.392 . . . . 0.0 111.645 -177.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -85.74 -34.64 21.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.15 -173.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 40.7 p -106.44 152.38 23.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.943 0.401 . . . . 0.0 110.966 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.564 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 89.3 mt-30 -66.07 -34.58 78.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.291 177.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.407 ' HA ' ' HD2' ' A' ' 84' ' ' ARG . 37.8 tt0 -59.7 -47.05 87.17 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.54 -178.697 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -65.52 -38.27 89.18 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.044 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' HB3' ' HB1' ' A' ' 74' ' ' ALA . 63.8 m-20 -65.61 -32.44 74.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.75 176.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 99.8 mtt180 -62.4 -52.91 61.71 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-O 120.986 0.422 . . . . 0.0 110.501 175.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.55 -43.39 98.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.241 -177.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.81 -43.16 94.05 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.0 110.748 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.76 92.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.887 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 95.4 mt -65.16 -38.0 89.17 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.137 179.43 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.5 tp -60.6 -53.15 60.95 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 110.048 -0.353 . . . . 0.0 110.048 176.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 29.0 ttt85 -62.76 -36.28 82.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.041 179.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.418 ' O ' HG13 ' A' ' 95' ' ' ILE . 8.7 tp -60.94 -47.59 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.879 0.371 . . . . 0.0 110.266 -179.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -66.13 -38.29 87.78 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.468 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 34.4 mm-40 -59.22 -48.31 82.11 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.976 0.417 . . . . 0.0 110.182 175.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -57.88 -44.39 86.64 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.639 -178.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 91' ' ' LEU . 81.6 mt -63.79 -42.83 97.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.325 -178.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 73.8 t -72.9 -41.16 60.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.138 0.494 . . . . 0.0 110.61 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.453 ' HA ' ' HD3' ' A' ' 100' ' ' LYS . 63.1 m-20 -65.25 -28.16 69.15 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.84 -178.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.96 -24.09 50.44 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.622 177.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -88.29 -20.75 25.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.949 0.404 . . . . 0.0 110.877 177.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.453 ' HD3' ' HA ' ' A' ' 97' ' ' ASN . 44.0 mtpt -95.36 -26.04 16.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.417 0.627 . . . . 0.0 111.113 -175.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 98.9 mt -84.75 159.1 20.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 115.473 -0.785 . . . . 0.0 108.953 175.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.592 ' HB3' ' NH2' ' A' ' 55' ' ' ARG . 0.6 OUTLIER 56.97 65.58 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.75 0.786 . . . . 0.0 108.977 -174.605 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -102.14 47.38 0.9 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.776 -177.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -142.91 10.64 1.78 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.646 177.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 108' ' ' HIS . 6.7 t-80 51.78 52.49 14.45 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.67 176.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -59.56 -42.58 92.75 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.518 -0.764 . . . . 0.0 110.836 -177.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -93.98 95.54 9.11 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.411 ' HA ' ' CE1' ' A' ' 105' ' ' HIS . 14.5 p80 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 118.656 -0.688 . . . . 0.0 110.327 -178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.3 ptp . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.846 HD23 HD12 ' A' ' 10' ' ' LEU . 42.2 tp -86.32 94.46 9.35 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.362 0.601 . . . . 0.0 109.754 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.9 t -80.54 113.21 19.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.404 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 64.2 mt -103.54 -39.73 6.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 0.0 110.324 179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.3 m -156.99 -167.85 2.47 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.581 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -68.41 -52.5 32.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.735 0.302 . . . . 0.0 110.812 179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -88.07 -0.04 56.57 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.318 0.58 . . . . 0.0 111.038 -174.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.39 116.46 47.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.335 0.588 . . . . 0.0 110.783 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.0 m170 -139.55 142.15 37.2 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.846 HD12 HD23 ' A' ' 2' ' ' LEU . 78.2 mt -117.31 104.0 50.7 Favored Pre-proline 0 C--N 1.319 -0.753 0 CA-C-O 120.771 0.32 . . . . 0.0 110.183 177.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.78 141.94 97.75 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.266 2.644 . . . . 0.0 112.592 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -52.34 -40.24 61.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.461 -0.79 . . . . 0.0 111.041 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.45 -26.03 66.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.069 -0.969 . . . . 0.0 112.615 -176.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -84.86 1.95 44.73 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.006 0.431 . . . . 0.0 111.069 -176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.8 mt -120.11 135.89 58.93 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.797 178.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 9.9 tp10 -100.96 108.97 20.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.773 0.321 . . . . 0.0 110.19 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 39' ' ' LEU . 6.3 mp -103.57 108.75 20.16 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 121.049 0.452 . . . . 0.0 110.157 179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.69 161.0 22.16 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.708 -0.678 . . . . 0.0 109.919 -176.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.72 145.57 28.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.8 mt -105.51 106.87 21.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.964 0.411 . . . . 0.0 110.176 178.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 50.1 ttt-85 -100.69 141.0 34.18 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.198 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.91 145.4 51.23 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.154 178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.621 HE21 ' HB3' ' A' ' 25' ' ' ALA . 17.5 pt20 -71.46 147.92 47.35 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.881 0.372 . . . . 0.0 110.795 177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -94.9 42.22 2.42 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -176.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.621 ' HB3' HE21 ' A' ' 23' ' ' GLN . . . -115.53 20.58 14.64 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.111 0.482 . . . . 0.0 110.657 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -125.06 53.6 0.77 Allowed Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.22 -178.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 166.71 -144.84 9.4 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.997 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.526 ' HG3' ' OD1' ' A' ' 29' ' ' ASN . 27.2 tp60 -146.83 127.03 13.82 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 -178.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.526 ' OD1' ' HG3' ' A' ' 28' ' ' GLN . 18.8 m120 70.69 26.33 3.89 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.257 0.623 . . . . 0.0 110.832 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.7 m -109.99 100.15 10.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.422 -178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 73.7 m-20 -126.34 19.46 7.51 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.595 176.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -106.11 138.05 42.98 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.587 -177.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.3 p -66.37 151.07 10.59 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.884 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 m -70.11 154.34 42.04 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.407 -179.08 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.4 t -103.24 7.06 38.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.718 0.771 . . . . 0.0 109.701 178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -75.35 119.06 18.94 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.215 -175.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.512 ' HE3' ' HB3' ' A' ' 80' ' ' GLN . 13.0 mmt -97.98 154.6 17.57 Favored 'General case' 0 C--N 1.313 -0.978 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.615 174.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -122.95 126.1 46.57 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.628 -178.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.4 ' HG ' ' HG ' ' A' ' 17' ' ' LEU . 7.2 mp -127.49 129.93 48.3 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.761 179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.579 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 62.8 ttt180 -115.17 125.9 53.97 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.882 174.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.58 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 74.0 t80 -119.93 105.93 11.54 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.512 174.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.94 113.52 19.2 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.782 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.481 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 70.2 mt -74.96 -27.21 19.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.298 0.57 . . . . 0.0 110.497 -178.019 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -73.04 -53.48 11.02 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.393 -174.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -89.45 -1.46 58.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -172.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.4 p -81.04 170.0 16.77 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.086 0.47 . . . . 0.0 111.722 -177.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 47.4 m -82.1 17.78 1.53 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.05 -177.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 67.6 mt -57.89 129.11 81.7 Favored Pre-proline 0 C--O 1.233 0.217 0 CA-C-N 116.686 -0.233 . . . . 0.0 110.83 175.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HB2' ' HD2' ' A' ' 52' ' ' TYR . 43.0 Cg_exo -57.12 142.37 94.32 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.497 2.132 . . . . 0.0 111.16 176.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.498 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 96.6 Cg_exo -44.37 -50.2 8.18 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.693 2.928 . . . . 0.0 113.252 -174.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -53.16 -48.51 67.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.01 0.433 . . . . 0.0 111.44 -178.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.405 ' HD2' ' HB2' ' A' ' 49' ' ' PRO . 98.1 m-85 -74.73 -36.16 62.65 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.368 -176.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.481 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 40.2 ttmt -64.05 -43.7 94.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.655 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 50' ' ' PRO . 10.5 mm-40 -62.03 -46.68 88.13 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.272 176.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -54.53 -44.05 72.48 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.633 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.43 -44.61 62.18 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.375 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 52.7 tp -63.63 -38.28 90.53 Favored 'General case' 0 N--CA 1.444 -0.742 0 CA-C-O 121.245 0.545 . . . . 0.0 111.151 -178.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -102.68 32.85 3.43 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.417 -178.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.619 HD21 ' HB1' ' A' ' 98' ' ' ALA . 13.2 tp -92.03 173.87 7.62 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.013 0.435 . . . . 0.0 110.736 -176.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' H ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -103.46 12.12 35.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.37 0.605 . . . . 0.0 109.581 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -87.06 125.75 34.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.565 -174.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.7 m -81.7 -2.53 50.83 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.318 -177.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -82.55 -17.89 43.35 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.489 0.661 . . . . 0.0 109.266 173.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.498 HG12 HD11 ' A' ' 70' ' ' ILE . 60.8 mt -96.95 118.25 43.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 CA-C-N 114.999 -1.0 . . . . 0.0 109.438 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -70.1 153.74 42.79 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.804 -0.359 . . . . 0.0 110.49 179.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m -66.36 -5.68 11.61 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.103 -174.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -101.94 -12.93 17.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.951 0.405 . . . . 0.0 110.816 178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.94 36.72 5.42 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.115 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 38.2 t -124.5 130.81 73.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.57 179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 41' ' ' PHE . 50.1 mm -103.16 121.66 54.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.174 177.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.1 t -122.84 121.87 64.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 178.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -109.76 165.0 12.03 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.732 0.777 . . . . 0.0 111.583 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -134.97 104.56 6.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.128 -1.396 . . . . 0.0 108.089 174.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.435 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -101.36 102.1 12.86 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.107 -173.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -140.88 29.12 1.9 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 109.84 177.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -86.92 -26.03 24.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.641 -176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -111.06 165.63 11.73 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.628 -175.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -64.16 -50.32 68.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.708 -177.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.4 p -99.52 139.99 34.36 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.125 0.488 . . . . 0.0 112.279 -173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.512 ' HB3' ' HE3' ' A' ' 37' ' ' MET . 78.1 mt-30 -54.21 -40.91 68.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.249 -0.887 . . . . 0.0 111.847 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.37 -40.29 95.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.776 -176.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -75.24 -32.49 61.12 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.335 179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -61.64 -37.23 83.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.663 174.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.493 ' HG3' ' HG3' ' A' ' 37' ' ' MET . 62.1 mtt180 -61.94 -39.57 92.55 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.775 0.321 . . . . 0.0 110.899 175.26 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -70.93 -40.12 72.26 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.987 0.422 . . . . 0.0 110.757 179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -56.78 -48.25 78.31 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.398 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.563 ' HA ' ' HD3' ' A' ' 90' ' ' ARG . . . -59.08 -38.04 78.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.055 -0.975 . . . . 0.0 111.625 179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.3 mt -67.97 -40.32 83.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.798 0.333 . . . . 0.0 110.894 178.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.47 -52.57 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.113 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.563 ' HD3' ' HA ' ' A' ' 87' ' ' ALA . 9.1 ptm180 -67.2 -27.71 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.944 -178.299 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 87' ' ' ALA . 6.0 tt -65.8 -50.41 64.79 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 176.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -65.71 -34.52 78.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.717 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -59.22 -50.67 73.12 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.8 tt -52.59 -48.87 65.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.0 mt -56.59 -51.05 70.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.914 -175.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.8 t -76.94 -38.84 29.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.015 0.436 . . . . 0.0 111.304 -175.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -72.44 -46.75 53.6 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.897 -173.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.619 ' HB1' HD21 ' A' ' 59' ' ' LEU . . . -75.6 -21.69 57.56 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -175.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -74.09 -3.52 30.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.873 0.368 . . . . 0.0 111.13 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -91.73 -12.75 33.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.84 105.33 1.27 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.948 -176.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -105.79 -21.43 13.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.596 174.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -93.1 150.09 20.76 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.533 -178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -116.25 165.6 12.99 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.951 177.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -93.49 113.62 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 15.6 t-80 -63.99 100.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.263 0.352 . . . . 0.0 110.467 -176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 27.2 m80 61.15 -101.98 0.12 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.57 -176.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.347 -0.835 . . . . 0.0 109.853 -173.502 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.7 ttm . . . . . 0 N--CA 1.482 1.133 0 CA-C-O 120.96 0.41 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.731 HD23 HD12 ' A' ' 10' ' ' LEU . 47.9 tp -89.79 96.78 10.84 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.311 0.577 . . . . 0.0 109.656 179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.3 t -81.63 110.34 16.85 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.881 177.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 65.6 mt -94.29 -45.73 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.219 0.533 . . . . 0.0 109.565 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.527 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 32.8 t -136.0 177.45 7.83 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.258 -0.883 . . . . 0.0 109.231 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -58.98 -50.56 73.63 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.738 0.304 . . . . 0.0 110.951 -178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -103.05 10.09 38.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.441 0.639 . . . . 0.0 110.895 -176.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 5' ' ' SER . 58.9 t -123.12 116.7 49.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 121.182 0.515 . . . . 0.0 109.821 -179.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 18.7 m80 -134.19 144.2 48.32 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.741 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.731 HD12 HD23 ' A' ' 2' ' ' LEU . 65.4 mt -109.66 117.63 52.1 Favored Pre-proline 0 C--N 1.321 -0.641 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . 0.78 ' HG2' ' HB2' ' A' ' 14' ' ' GLU . 10.3 Cg_endo -57.52 145.76 87.21 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.78 2.32 . . . . 0.0 112.004 178.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -58.05 -38.06 75.57 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.019 179.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.25 -6.11 49.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.122 -177.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.78 ' HB2' ' HG2' ' A' ' 11' ' ' PRO . 20.3 tt0 -94.93 -0.86 53.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.851 0.834 . . . . 0.0 110.125 -178.522 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.7 mt -103.45 100.82 11.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.174 -0.921 . . . . 0.0 109.685 176.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.958 ' HG2' ' HE ' ' A' ' 40' ' ' ARG . 8.2 tp10 -87.5 101.8 13.96 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.501 -175.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.484 HD23 ' HG ' ' A' ' 39' ' ' LEU . 87.5 mt -108.6 110.36 21.8 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.035 -0.53 . . . . 0.0 109.703 177.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.618 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.6 OUTLIER -111.31 157.26 20.38 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.345 -0.388 . . . . 0.0 109.956 179.601 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.528 ' HA ' ' HE2' ' A' ' 37' ' ' MET . . . -107.73 122.45 46.77 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.2 mt -81.39 101.62 6.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.201 0.524 . . . . 0.0 109.699 179.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 40.1 ttt-85 -86.21 127.22 34.7 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.452 -178.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -151.9 173.47 14.77 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.182 -179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.791 HE22 ' HB2' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -134.19 -169.45 2.32 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.811 179.383 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.42 -47.71 81.23 Favored Glycine 0 C--N 1.335 0.478 0 O-C-N 123.52 0.512 . . . . 0.0 113.614 -175.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.791 ' HB2' HE22 ' A' ' 23' ' ' GLN . . . 55.76 38.92 30.67 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.94 0.4 . . . . 0.0 111.287 178.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 125.43 -26.06 5.55 Favored Glycine 0 N--CA 1.447 -0.632 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -177.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -68.67 112.84 4.88 Favored Glycine 0 N--CA 1.443 -0.847 0 N-CA-C 111.518 -0.633 . . . . 0.0 111.518 175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 29' ' ' ASN . 63.8 tt0 -87.87 129.06 35.33 Favored 'General case' 0 N--CA 1.439 -0.988 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 -177.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.504 ' HB3' ' O ' ' A' ' 28' ' ' GLN . 7.8 t30 79.52 -13.03 1.0 Allowed 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.502 1.126 . . . . 0.0 110.556 178.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.2 m -117.58 90.86 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.796 0.808 . . . . 0.0 111.117 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -123.23 82.82 2.04 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 175.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.434 ' HE2' ' HB2' ' A' ' 32' ' ' LYS . 9.0 tppt? -116.82 143.48 45.63 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.679 -175.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -66.56 126.47 26.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.217 0.532 . . . . 0.0 109.839 176.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.0 m -57.27 136.35 56.51 Favored 'General case' 0 N--CA 1.441 -0.882 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.822 -178.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.41 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 8.7 p -83.16 11.05 6.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.217 177.393 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.65 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -76.64 120.04 21.27 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.016 -176.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.528 ' HE2' ' HA ' ' A' ' 19' ' ' ALA . 4.0 mmt -95.43 140.97 29.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.465 175.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 16.4 t-80 -105.7 121.62 44.39 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.743 179.158 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.484 ' HG ' HD23 ' A' ' 17' ' ' LEU . 6.7 mp -120.57 140.77 51.02 Favored 'General case' 0 C--N 1.31 -1.152 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.994 -179.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.958 ' HE ' ' HG2' ' A' ' 16' ' ' GLU . 32.8 ptt180 -134.64 98.89 4.18 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.37 0.605 . . . . 0.0 110.16 173.021 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.489 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 72.2 t80 -96.48 103.21 15.1 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.327 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -83.49 111.73 19.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.078 -179.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.512 HD13 ' HB3' ' A' ' 56' ' ' LEU . 70.5 mt -69.29 -26.74 32.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.796 -176.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -74.91 -46.27 37.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.194 -175.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -92.89 -10.13 37.73 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -174.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.6 p -63.95 150.4 45.18 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 120.793 0.33 . . . . 0.0 111.214 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 16.6 m -75.89 26.96 0.11 Allowed 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -176.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.7 ' O ' ' HE3' ' A' ' 53' ' ' LYS . 94.7 mt -88.73 142.17 30.55 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 178.1 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -63.89 155.17 65.61 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 122.449 2.099 . . . . 0.0 112.301 175.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.521 ' HA ' ' HB2' ' A' ' 53' ' ' LYS . 54.0 Cg_exo -53.14 -30.82 51.98 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 123.115 2.543 . . . . 0.0 112.098 176.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -49.76 -50.19 45.45 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.848 176.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 51.0 m-85 -76.04 -39.18 56.17 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.787 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.7 ' HE3' ' O ' ' A' ' 48' ' ' LEU . 94.2 mttt -60.24 -37.83 81.57 Favored 'General case' 0 CA--C 1.529 0.16 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -174.426 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 50' ' ' PRO . 46.1 mt-10 -57.87 -49.42 76.77 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.287 0.565 . . . . 0.0 111.209 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.574 ' HD3' ' HA ' ' A' ' 99' ' ' ALA . 78.5 mtt85 -75.4 -23.94 57.11 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.335 -174.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 43' ' ' ILE . 88.5 mt -71.04 -44.11 66.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.112 0.482 . . . . 0.0 110.301 172.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.6 tt -63.49 -47.06 83.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.397 177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -88.91 33.92 0.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.465 -177.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 56' ' ' LEU . 1.2 mt -76.98 160.91 28.78 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.605 0.717 . . . . 0.0 110.648 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -93.66 15.35 16.5 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.671 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.412 ' HB3' HG12 ' A' ' 64' ' ' ILE . 11.2 t70 -97.73 153.6 18.14 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.849 -171.194 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.5 m -85.82 -13.4 48.23 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.598 -176.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -84.17 -5.56 59.27 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.982 0.42 . . . . 0.0 110.646 178.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.425 HD13 HD11 ' A' ' 70' ' ' ILE . 40.6 mm -71.11 106.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.985 177.152 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 31.4 p -96.23 165.11 12.37 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.186 -176.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.8 m -72.15 -21.48 61.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.161 0.505 . . . . 0.0 109.957 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.0 -19.98 59.84 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.559 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.61 34.93 42.62 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.562 -176.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.1 t -118.46 131.04 72.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.825 0.345 . . . . 0.0 110.978 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.596 HG22 HD11 ' A' ' 72' ' ' LEU . 30.7 mm -97.99 108.4 21.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.922 -0.581 . . . . 0.0 109.776 174.405 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 40.0 t -103.7 127.64 57.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.596 HD11 HG22 ' A' ' 70' ' ' ILE . 2.7 mp -125.16 156.4 38.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.51 0.672 . . . . 0.0 111.231 -178.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -131.52 104.35 6.92 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.645 172.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.65 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -86.76 102.21 14.04 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.99 -175.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -122.84 20.03 10.12 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.544 179.407 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -68.63 -56.34 8.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.037 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -87.51 164.68 16.0 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.834 179.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.445 ' HD2' ' HA ' ' A' ' 78' ' ' ARG . 17.1 tpt180 -90.07 -10.9 43.05 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.343 0.592 . . . . 0.0 110.221 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -108.77 134.65 51.18 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.505 176.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 35' ' ' SER . 90.8 mt-30 -66.21 -44.35 84.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.19 -175.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.477 ' O ' ' HB3' ' A' ' 84' ' ' ARG . 5.8 tp10 -64.35 -32.53 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -178.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -75.83 -36.5 59.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.642 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -60.36 -36.38 77.9 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 121.155 0.503 . . . . 0.0 110.07 173.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' A' ' 81' ' ' GLU . 14.8 ttt180 -52.81 -52.24 57.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.36 175.438 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.48 -41.15 96.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.42 -0.809 . . . . 0.0 112.001 -178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -66.1 -47.94 72.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.188 0.518 . . . . 0.0 110.255 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.59 -44.77 89.95 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.322 -0.854 . . . . 0.0 111.226 179.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 82.5 mt -62.0 -40.66 96.41 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.696 0.284 . . . . 0.0 110.866 178.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.84 -51.88 65.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.107 0.48 . . . . 0.0 110.09 178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.1 mtt180 -65.14 -30.97 71.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.373 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.75 -51.49 62.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.972 0.415 . . . . 0.0 110.112 176.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 26.0 p -62.44 -36.69 83.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.107 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.483 ' O ' ' HB2' ' A' ' 97' ' ' ASN . 2.9 mm-40 -59.6 -47.79 84.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.411 175.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 56.3 tp -59.58 -43.36 93.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.8 mt -62.13 -49.42 84.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.919 0.39 . . . . 0.0 111.066 -179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.38 -41.73 86.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.61 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 93' ' ' GLU . 8.9 t-20 -61.19 -37.87 84.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.933 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.55 -36.3 80.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.42 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.574 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . . . -88.23 -11.87 45.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.248 0.547 . . . . 0.0 111.115 179.375 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -96.39 -22.66 17.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.996 -173.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.596 ' O ' HD12 ' A' ' 101' ' ' LEU . 2.5 pp -64.27 113.61 3.7 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.109 0.957 . . . . 0.0 112.324 -174.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -96.16 -17.73 20.62 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.788 -1.096 . . . . 0.0 109.876 175.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 21.0 t-160 -116.66 128.59 55.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.533 -0.758 . . . . 0.0 108.978 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -86.54 137.7 32.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.13 0.49 . . . . 0.0 110.7 -176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 60.9 m-70 -96.1 -31.43 13.01 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.182 -173.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -145.98 -42.13 0.21 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.72 -172.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -90.92 130.64 36.84 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -176.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 7.6 t60 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.779 -0.629 . . . . 0.0 110.52 -177.683 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.3 ttm . . . . . 0 N--CA 1.483 1.191 0 CA-C-O 120.571 0.224 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.823 HD23 HD12 ' A' ' 10' ' ' LEU . 48.8 tp -88.04 96.74 10.63 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.363 0.601 . . . . 0.0 109.773 178.688 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 49.7 t -79.04 110.41 14.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.159 177.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 62.9 mt -93.92 -35.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.401 0.62 . . . . 0.0 110.048 179.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -153.37 -177.53 6.39 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.745 -179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -61.11 -40.29 93.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.867 -179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -116.09 16.42 16.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.243 -177.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.9 t -125.27 118.54 52.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.047 0.451 . . . . 0.0 109.871 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -137.22 143.19 42.16 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.587 -178.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.823 HD12 HD23 ' A' ' 2' ' ' LEU . 40.6 mt -110.88 111.02 56.77 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.045 171.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.56 139.63 59.38 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 123.184 2.589 . . . . 0.0 112.474 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -57.02 -37.32 71.56 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.456 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -58.29 -24.45 59.56 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.254 -0.884 . . . . 0.0 112.477 -178.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -83.3 0.62 44.91 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.126 0.489 . . . . 0.0 111.195 -177.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.492 HG22 ' HG ' ' A' ' 17' ' ' LEU . 62.8 mt -106.75 116.41 50.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.894 -178.495 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.551 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 6.4 tp10 -93.86 101.38 13.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.817 -0.628 . . . . 0.0 109.858 176.231 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 ' HG ' HG22 ' A' ' 15' ' ' ILE . 84.6 mt -103.39 110.11 22.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.294 178.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.573 ' HB ' ' HB3' ' A' ' 38' ' ' HIS . 0.2 OUTLIER -120.25 152.72 37.36 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.215 -179.717 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -107.66 132.94 52.79 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 110.063 -0.347 . . . . 0.0 110.063 175.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.1 mt -96.5 119.76 44.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 120.802 0.334 . . . . 0.0 110.139 -178.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.886 ' HA ' HG23 ' A' ' 33' ' ' VAL . 40.5 ptt180 -66.9 164.78 16.74 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.1 -162.57 0.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.011 -177.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -74.66 155.51 37.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.378 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -119.42 -120.94 2.92 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.644 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.16 -123.43 0.73 Allowed 'General case' 0 C--O 1.236 0.355 0 C-N-CA 122.304 0.242 . . . . 0.0 110.968 178.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -81.01 -145.21 4.34 Favored Glycine 0 N--CA 1.447 -0.622 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.362 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.93 -59.12 4.77 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 111.687 -0.565 . . . . 0.0 111.687 -179.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 67.17 4.81 3.82 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.86 0.838 . . . . 0.0 111.602 175.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.8 m-80 -117.0 3.87 12.78 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.962 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.8 m -82.68 80.81 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.682 0.754 . . . . 0.0 110.961 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -112.5 14.33 20.22 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.355 179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -126.79 147.3 50.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.235 -175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.886 HG23 ' HA ' ' A' ' 21' ' ' ARG . 14.8 p -93.65 151.88 3.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.163 -179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.1 t -81.75 174.77 11.03 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.5 p -83.9 -3.17 57.73 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.725 0.298 . . . . 0.0 111.037 -178.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.517 ' HA ' ' HB3' ' A' ' 75' ' ' GLN . . . -61.67 107.94 0.9 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.612 -178.045 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 92.0 mmm -97.71 148.3 23.48 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.367 176.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.573 ' HB3' ' HB ' ' A' ' 18' ' ' THR . 23.9 t-80 -110.38 128.49 55.6 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-N 115.188 -0.914 . . . . 0.0 109.184 176.247 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.528 HD22 ' HB1' ' A' ' 87' ' ' ALA . 60.8 tp -121.71 125.45 46.64 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.518 -179.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 70' ' ' ILE . 20.5 ttt180 -124.01 118.34 26.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.055 170.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.564 ' HB3' ' HB ' ' A' ' 70' ' ' ILE . 58.4 t80 -110.87 113.45 26.03 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 108.425 -0.954 . . . . 0.0 108.425 172.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -88.3 100.16 12.79 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.096 0.474 . . . . 0.0 109.865 -177.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.622 ' O ' ' HE2' ' A' ' 53' ' ' LYS . 52.3 mt -66.74 -31.89 55.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.651 -176.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -57.56 -53.4 58.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.773 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.3 5.43 47.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.44 -179.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 t -75.05 157.39 34.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.963 0.411 . . . . 0.0 111.242 -178.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.0 m -84.05 6.23 22.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.916 178.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD12 HG23 ' A' ' 43' ' ' ILE . 50.2 mt -54.71 138.07 62.65 Favored Pre-proline 0 C--O 1.235 0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.603 177.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.48 147.84 92.9 Favored 'Trans proline' 0 C--O 1.235 0.356 0 C-N-CA 122.986 2.457 . . . . 0.0 112.024 176.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.4 -42.63 40.72 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.377 2.718 . . . . 0.0 113.165 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 62.7 t80 -54.39 -52.81 60.53 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.142 0.496 . . . . 0.0 111.509 -179.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.415 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 87.9 m-85 -64.0 -40.76 97.09 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.152 -177.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.622 ' HE2' ' O ' ' A' ' 43' ' ' ILE . 96.3 mttt -59.48 -47.13 86.69 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.655 0.264 . . . . 0.0 110.885 176.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.08 -43.05 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.661 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' A' ' 59' ' ' LEU . 5.4 mmt180 -63.61 -42.88 98.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.737 178.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' O ' HG21 ' A' ' 64' ' ' ILE . 92.9 mt -60.89 -46.91 88.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.89 0.376 . . . . 0.0 110.652 177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 58.2 mt -63.44 -24.12 67.69 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.176 -179.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.62 5.64 47.63 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 55' ' ' ARG . 22.5 mt -72.65 156.93 38.46 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-O 121.098 0.475 . . . . 0.0 111.91 -177.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -92.63 15.29 14.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 122.338 1.066 . . . . 0.0 108.917 173.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.481 ' HB3' HG12 ' A' ' 64' ' ' ILE . 18.9 t70 -79.92 122.62 26.91 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-N 114.481 -1.236 . . . . 0.0 109.956 -178.572 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.6 m -74.83 -10.95 59.99 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.117 -175.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -85.14 -20.08 30.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.241 0.543 . . . . 0.0 109.809 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.509 HG21 ' O ' ' A' ' 56' ' ' LEU . 43.7 mm -80.26 127.57 39.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.013 177.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.7 p -100.53 154.54 18.47 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.263 176.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.7 m -69.44 -20.86 63.77 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.962 0.41 . . . . 0.0 110.685 -178.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -74.57 -14.77 60.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.691 177.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 81.63 43.51 8.38 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.827 -176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 39.9 t -122.18 128.57 75.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 120.83 0.348 . . . . 0.0 110.822 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.652 ' O ' ' HA ' ' A' ' 40' ' ' ARG . 49.9 mm -98.27 112.68 30.92 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.066 177.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.443 ' C ' HD12 ' A' ' 72' ' ' LEU . 25.3 t -123.47 117.89 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-O 120.944 0.402 . . . . 0.0 111.04 -179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.443 HD12 ' C ' ' A' ' 71' ' ' VAL . 9.6 mp -128.59 174.55 9.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.15 0.5 . . . . 0.0 111.205 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 59.0 mttp -136.6 109.32 7.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.049 -0.978 . . . . 0.0 108.52 176.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -109.18 104.72 13.94 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.493 -174.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.517 ' HB3' ' HA ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -131.96 26.68 4.6 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.186 0.517 . . . . 0.0 110.25 176.327 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -62.06 -47.75 83.3 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.082 -0.963 . . . . 0.0 111.601 -177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -95.73 163.14 13.31 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.972 -177.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -71.65 -38.26 70.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.284 176.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.8 p -92.56 133.6 35.8 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.0 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.421 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 97.6 mt-30 -65.79 -31.29 72.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.333 -177.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -58.64 -43.05 89.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -68.31 -36.32 79.14 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.651 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -65.39 -32.78 74.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.63 178.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 80' ' ' GLN . 86.7 mtt180 -63.39 -49.64 73.01 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.922 0.392 . . . . 0.0 109.971 175.269 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.76 -42.14 95.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.223 -178.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -61.04 -46.59 90.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.16 0.505 . . . . 0.0 110.396 179.262 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.528 ' HB1' HD22 ' A' ' 39' ' ' LEU . . . -60.22 -48.28 82.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.502 178.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 84' ' ' ARG . 92.3 mt -63.85 -39.0 93.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.883 0.373 . . . . 0.0 110.952 179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -60.21 -50.7 72.64 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.542 177.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 28.8 ttm105 -60.29 -34.94 74.46 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.334 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 95' ' ' ILE . 44.3 tp -62.36 -52.13 64.86 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.139 0.495 . . . . 0.0 110.554 178.516 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.4 t -63.96 -40.81 97.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.539 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 41.1 tp10 -59.04 -47.88 83.62 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.464 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 63.5 tp -57.7 -44.69 86.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.865 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 91' ' ' LEU . 79.9 mt -57.7 -48.29 83.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.348 . . . . 0.0 111.158 -178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.38 -38.16 81.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.032 -178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.425 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 21.7 m-80 -74.61 -43.79 53.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.969 -178.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.438 ' HB1' HD11 ' A' ' 59' ' ' LEU . . . -63.29 -28.08 69.77 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.22 -27.62 68.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.039 0.447 . . . . 0.0 110.762 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -96.04 -19.73 19.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.264 0.554 . . . . 0.0 111.302 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 97' ' ' ASN . 84.9 mt -76.79 114.98 16.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.913 -179.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.434 ' HA ' ' NH1' ' A' ' 55' ' ' ARG . 0.6 OUTLIER -81.74 -64.37 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.735 178.71 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 33.0 m170 -132.63 -171.91 2.78 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 65.48 -165.71 0.23 Allowed 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.513 0.508 . . . . 0.0 111.034 178.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.412 ' O ' ' HB2' ' A' ' 106' ' ' HIS . 59.6 t-80 -128.79 -67.18 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.782 -179.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 105' ' ' HIS . 13.6 m-70 68.38 141.96 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.861 0.725 . . . . 0.0 110.652 -172.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 64.19 179.55 0.17 Allowed 'General case' 0 C--O 1.238 0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.667 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 49.9 t-80 . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.631 -0.7 . . . . 0.0 109.339 175.831 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 ttm . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.051 0.453 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.764 HD11 ' HB3' ' A' ' 88' ' ' LEU . 3.2 mm? -92.51 105.31 17.51 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.943 -177.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 59.9 t -75.55 109.67 9.31 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.689 176.139 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.5 mm -94.57 -44.96 13.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -145.32 175.89 9.96 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.678 -1.146 . . . . 0.0 108.223 176.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.6 -28.29 66.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.17 0.51 . . . . 0.0 110.397 177.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -104.55 -1.51 26.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.321 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.3 t -130.97 119.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.096 0.474 . . . . 0.0 110.85 -176.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -132.64 145.13 50.83 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.202 179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 2' ' ' LEU . 1.1 tt -108.27 105.46 56.64 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 175.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -67.6 146.2 72.74 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.875 2.383 . . . . 0.0 112.738 -176.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -57.14 -38.81 74.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.719 177.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.83 -0.59 16.33 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.891 -1.049 . . . . 0.0 113.05 -175.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -109.97 10.06 24.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.458 0.647 . . . . 0.0 110.855 176.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.5 mt -123.76 122.76 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 171.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.555 ' HB3' ' HB3' ' A' ' 40' ' ' ARG . 35.4 tt0 -78.04 97.86 5.54 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.035 0.445 . . . . 0.0 111.11 -175.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.2 mp -94.57 110.65 22.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.729 -0.669 . . . . 0.0 109.86 175.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -116.0 130.21 56.72 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.966 177.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -89.16 116.36 27.36 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.726 0.298 . . . . 0.0 111.292 -176.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 38' ' ' HIS . 60.7 mt -94.39 115.22 32.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.047 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -95.5 178.03 5.62 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.246 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.95 140.38 35.3 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 174.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -87.61 132.51 34.05 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.418 0.628 . . . . 0.0 111.067 -176.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.56 61.32 3.87 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.03 -0.987 . . . . 0.0 111.61 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.33 103.06 5.36 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.771 0.32 . . . . 0.0 110.228 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 94.89 125.9 4.61 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.983 -0.627 . . . . 0.0 112.051 -176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 82.12 -52.92 4.7 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.097 -0.573 . . . . 0.0 112.344 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 64.66 15.38 9.68 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 123.453 0.701 . . . . 0.0 111.134 176.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -103.73 -8.12 20.11 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.388 179.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.5 m -85.43 64.45 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-O 121.529 0.68 . . . . 0.0 111.122 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -100.83 16.6 24.57 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.954 -179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.55 ' H ' ' HD3' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -96.41 111.79 23.76 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 172.315 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.2 p -64.91 125.78 22.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.423 -171.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.9 m -68.71 148.69 50.02 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.948 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 11.6 p -94.22 12.99 24.79 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.03 -178.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' ' O ' ' A' ' 74' ' ' ALA . . . -71.05 108.93 4.84 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.233 -175.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.535 ' O ' ' HA ' ' A' ' 73' ' ' LYS . 53.5 mtp -100.03 130.03 46.15 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.142 0.496 . . . . 0.0 110.199 175.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.516 ' HB2' HD11 ' A' ' 20' ' ' ILE . 32.8 t-80 -95.78 122.04 38.14 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.013 177.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.419 ' HA ' ' O ' ' A' ' 16' ' ' GLU . 8.3 mp -115.52 118.68 33.83 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.711 -177.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.555 ' HB3' ' HB3' ' A' ' 16' ' ' GLU . 51.3 ttt180 -110.78 113.3 25.78 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.285 172.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -110.2 105.84 15.05 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.181 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -84.08 93.12 8.04 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.121 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.539 HD13 HD13 ' A' ' 56' ' ' LEU . 59.8 mt -58.9 -37.81 69.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.884 176.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -58.99 -48.78 80.33 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.927 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -96.85 18.71 13.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.088 -0.505 . . . . 0.0 112.086 -175.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 96.5 p -87.35 158.17 19.1 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.82 0.343 . . . . 0.0 110.645 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.6 m -86.9 13.96 8.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.244 177.515 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 79.5 mt -65.09 137.03 96.9 Favored Pre-proline 0 C--N 1.331 -0.201 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.356 178.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_exo -50.73 149.33 14.25 Favored 'Trans proline' 0 CA--C 1.534 0.492 0 C-N-CA 123.564 2.843 . . . . 0.0 113.437 -179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_endo -50.03 -36.79 45.74 Favored 'Trans proline' 0 C--N 1.35 0.626 0 C-N-CA 123.737 2.958 . . . . 0.0 113.385 -178.175 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -53.29 -47.29 69.32 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.201 0.524 . . . . 0.0 110.642 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -71.95 -37.75 69.92 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.743 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 57' ' ' LEU . 20.6 mmtm -53.62 -55.4 26.17 Favored 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.057 0.456 . . . . 0.0 110.588 175.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -62.56 -49.24 76.08 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.542 -175.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -56.41 -44.31 80.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.796 -179.303 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.57 HD22 HD13 ' A' ' 64' ' ' ILE . 86.5 mt -73.34 -47.63 40.88 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.639 -0.255 . . . . 0.0 111.377 -178.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 53' ' ' LYS . 3.0 tt -53.3 -39.83 64.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.329 -178.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.89 35.58 4.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.156 -177.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.52 HD23 HD12 ' A' ' 64' ' ' ILE . 19.1 tp -81.27 163.81 22.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.098 0.475 . . . . 0.0 110.796 -177.378 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -90.92 9.95 28.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.652 0.739 . . . . 0.0 109.683 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -74.56 151.5 39.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.953 -1.022 . . . . 0.0 110.06 -177.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.0 p -106.21 1.02 25.73 Favored 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.829 -175.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 63' ' ' ARG . 1.9 mmp_? -107.12 -44.04 4.47 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 175.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.751 HD11 HD11 ' A' ' 94' ' ' LEU . 68.0 mt -71.35 117.68 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.303 177.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.1 p -89.78 157.63 17.86 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.001 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.7 p -65.98 -8.26 21.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.116 0.484 . . . . 0.0 111.522 178.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -77.9 -24.5 48.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.324 0.583 . . . . 0.0 110.087 175.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.22 46.5 9.09 Favored Glycine 0 N--CA 1.446 -0.669 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.57 -175.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 42.9 t -125.51 128.04 72.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.586 HD11 HG12 ' A' ' 64' ' ' ILE . 38.2 mm -125.26 128.72 72.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.329 178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 59.0 t -128.07 130.65 69.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.448 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.1 mp -136.83 166.99 22.32 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.039 0.447 . . . . 0.0 110.896 178.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.535 ' HA ' ' O ' ' A' ' 37' ' ' MET . 0.2 OUTLIER -143.99 110.02 5.36 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.798 0.808 . . . . 0.0 109.667 169.46 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' O ' ' HA ' ' A' ' 36' ' ' ALA . . . -88.43 108.98 19.65 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 114.781 -1.1 . . . . 0.0 110.867 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.62 20.97 2.19 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.083 178.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -77.91 -33.28 51.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.701 -174.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -102.07 162.46 12.9 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.8 ttt-85 -74.63 -42.97 57.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.107 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 p -84.35 127.86 34.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.236 0.541 . . . . 0.0 111.373 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -65.55 -30.97 71.78 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.405 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -60.57 -47.74 84.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.16 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 59.9 mt-30 -74.01 -30.49 62.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.33 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -57.49 -40.61 79.0 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.185 171.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.409 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 75.6 ttt180 -59.3 -55.44 34.8 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-O 121.354 0.597 . . . . 0.0 110.145 175.352 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -57.87 -43.42 86.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.092 -178.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.04 -50.93 70.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.204 0.526 . . . . 0.0 110.771 -176.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.3 -43.41 96.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.197 -179.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.764 ' HB3' HD11 ' A' ' 2' ' ' LEU . 88.5 mt -64.92 -37.9 89.19 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.866 0.365 . . . . 0.0 110.885 179.417 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.04 -48.4 76.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.869 178.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 90' ' ' ARG . 1.5 mpt_? -61.97 -38.24 87.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.115 178.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.54 -47.34 82.0 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 32.6 t -62.42 -41.82 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.94 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -61.13 -43.13 99.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.776 178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.751 HD11 HD11 ' A' ' 64' ' ' ILE . 3.3 tm? -59.73 -40.26 87.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.758 -179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 84.1 mt -57.84 -45.14 87.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.877 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.9 t -75.84 -34.52 28.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.133 178.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.466 ' O ' ' HG ' ' A' ' 101' ' ' LEU . 4.0 t-20 -55.65 -53.2 59.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.742 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.09 -25.42 67.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.642 -177.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -80.21 -24.33 40.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.899 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.7 tppt? -87.24 -25.83 23.8 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.194 -178.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD13 ' HB2' ' A' ' 104' ' ' HIS . 97.2 mt -87.0 156.62 19.69 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.979 -173.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -109.87 -43.24 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.043 170.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -147.58 127.42 13.51 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.775 178.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.534 ' HB2' HD13 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -166.54 127.14 1.65 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 178.872 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -75.15 -39.52 60.35 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 123.259 0.349 . . . . 0.0 111.186 -179.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 55.64 37.71 29.23 Favored 'General case' 0 CA--C 1.534 0.328 0 CA-C-O 121.847 0.832 . . . . 0.0 109.851 175.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 61.4 t-80 -92.05 135.53 33.89 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.294 -0.867 . . . . 0.0 111.555 -170.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.237 171.943 . . . . . . . . 0 0 . 1 stop_ save_