data_6qkq_residue ############################ # Computer software used # ############################ 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 6qkq _Structure_validation_residue.Date_analyzed 2019-07-12 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 ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 121.07 0.462 . . . . 74.32 110.336 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.57 77.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.132 -0.94 . . . . 75.54 110.909 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.459 HG12 ' CD1' ' A' ' 108' ' ' TYR . 67.2 mt -60.44 -44.06 95.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 109.438 -0.578 . . . . 62.14 109.438 176.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -64.76 -43.55 92.93 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.961 -0.563 . . . . 74.3 111.079 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.9 -39.7 79.58 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 116.644 -0.253 . . . . 75.32 111.656 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -63.57 -39.8 95.32 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.265 0.555 . . . . 75.3 109.675 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.05 76.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.57 -0.741 . . . . 73.35 109.758 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -60.65 -41.51 95.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.297 -0.411 . . . . 75.22 110.525 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -58.96 -39.14 80.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.483 1.113 . . . . 74.12 111.059 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 . . . . . 0 C--N 1.316 -0.872 0 N-CA-C 112.279 0.474 . . . . 65.11 112.279 178.48 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.24 0.589 0 N-CA-C 111.321 -0.3 . . . . 75.52 111.321 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.3 71.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.935 -0.575 . . . . 64.31 110.075 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.02 -32.07 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 63.04 110.088 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.75 -39.56 60.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.04 110.248 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.026 -0.731 . . . . 74.33 109.026 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.817 -1.083 . . . . 71.21 110.256 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.91 93.75 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.563 -0.744 . . . . 72.21 110.431 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.459 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.0 t80 -58.23 -43.31 87.67 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.194 0.997 . . . . 74.21 110.635 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -72.52 -39.87 67.25 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.451 -0.795 . . . . 73.55 112.562 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.992 0 CA-C-O 120.758 0.314 . . . . 72.31 111.749 179.772 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.278 -1.008 . . . . 71.22 108.278 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.17 -37.26 79.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.575 -1.193 . . . . 74.35 110.286 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 108' ' ' TYR . 49.8 mt -64.93 -41.11 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.047 -0.723 . . . . 73.31 109.047 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -62.87 -41.25 99.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.155 -0.93 . . . . 73.55 110.242 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.15 -46.21 81.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.241 0.543 . . . . 65.31 110.135 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.12 -43.11 91.92 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.479 -0.782 . . . . 74.45 110.14 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.84 99.18 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.327 -0.851 . . . . 75.43 110.374 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -68.12 -37.2 80.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.683 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -63.94 -45.35 89.56 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.619 0.247 . . . . 74.11 111.185 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 0 CA--C 1.501 -0.912 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.213 179.062 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.459 ' O ' HG13 ' A' ' 105' ' ' ILE . 21.8 Cg_exo . . . . . 0 C--O 1.231 0.161 0 N-CA-C 111.797 -0.117 . . . . 54.32 111.797 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -27.85 68.33 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.184 0.516 . . . . 73.32 109.704 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.55 -44.9 93.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.041 -0.982 . . . . 75.42 109.376 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.6 -34.79 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.092 -0.958 . . . . 75.33 110.247 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 101' ' ' PRO . 66.0 mt -64.71 -43.98 96.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.705 -0.679 . . . . 72.22 110.542 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.54 -40.29 95.32 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.262 0.553 . . . . 63.21 109.676 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.92 88.18 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.493 -0.776 . . . . 71.12 109.929 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.478 ' CD1' HG12 ' A' ' 83' ' ' ILE . 74.7 t80 -56.26 -52.64 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 124.152 0.981 . . . . 74.34 111.348 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -63.43 -34.18 77.17 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.55 0.574 . . . . 74.33 112.55 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.771 0 N-CA-C 112.894 0.702 . . . . 73.42 112.894 -179.73 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.272 0 CA-C-O 120.82 0.343 . . . . 70.23 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.91 77.49 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.992 -0.549 . . . . 72.53 110.337 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.7 mt -68.15 -39.72 81.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.906 -0.775 . . . . 71.23 108.906 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 61.8 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.67 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.698 -0.683 . . . . 71.12 111.287 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.454 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 74.7 t90 -61.35 -37.99 85.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.676 0.75 . . . . 74.12 109.624 176.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.14 96.01 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.471 -0.786 . . . . 62.15 110.52 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 24.2 mtp180 -67.36 -37.71 83.64 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.447 0.642 . . . . 74.01 110.144 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 50.3 ttt180 -57.81 -43.5 85.73 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.778 -1.101 . . . . 74.44 110.61 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 116.039 -0.528 . . . . 73.32 112.346 178.444 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 CA--C 1.514 -0.509 0 CA-C-O 120.87 0.279 . . . . 64.12 112.705 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.69 -39.87 59.06 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.333 1.053 . . . . 41.54 110.062 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.18 -47.18 78.82 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 114.801 -1.09 . . . . 74.02 110.702 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.74 -41.02 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.45 0.469 . . . . 72.2 110.447 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.45 -48.59 86.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.725 -0.671 . . . . 75.32 110.549 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.93 -40.67 95.4 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.299 -0.41 . . . . 74.45 110.282 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.97 89.41 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.604 -0.726 . . . . 71.52 110.534 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.59 -42.33 96.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 71.41 109.775 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -75.39 -24.59 57.23 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.364 -0.834 . . . . 74.22 112.19 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.12 0 N-CA-C 111.988 0.366 . . . . 62.12 111.988 -178.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.858 0 N-CA-C 108.608 -0.886 . . . . 73.25 108.608 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.96 -32.97 74.7 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.952 -1.022 . . . . 73.2 110.208 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.455 HG12 ' CD1' ' A' ' 108' ' ' TYR . 66.2 mt -60.11 -44.12 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.954 -0.758 . . . . 75.35 108.954 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.07 -44.9 94.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.161 -0.927 . . . . 74.33 110.257 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.33 -32.15 66.27 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.914 0.709 . . . . 75.2 112.914 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -64.33 -40.41 95.84 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.702 0.763 . . . . 72.3 108.96 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.91 87.47 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.311 -0.858 . . . . 73.23 109.44 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -63.28 -34.89 78.67 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.371 0.508 . . . . 63.32 112.371 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -60.93 -39.35 89.11 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.281 0.632 . . . . 74.02 109.333 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.286 -0.87 . . . . 74.22 111.0 176.932 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo . . . . . 0 N--CA 1.459 -0.501 0 CA-C-O 121.123 0.385 . . . . 74.44 112.073 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.63 71.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.498 -0.774 . . . . 74.12 110.239 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.096 -0.956 . . . . 74.33 110.71 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 t -71.82 -35.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 CA-C-N 115.111 -0.95 . . . . 75.51 110.113 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.21 -43.89 99.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.025 -0.534 . . . . 74.44 109.681 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.0 -45.22 95.7 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.774 -0.648 . . . . 65.34 110.031 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.91 87.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.954 -1.021 . . . . 60.53 110.498 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.455 ' CD1' HG12 ' A' ' 83' ' ' ILE . 76.8 t80 -61.16 -45.71 93.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.992 0.517 . . . . 75.34 110.839 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -69.74 -23.19 63.35 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 113.014 0.746 . . . . 74.2 113.014 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.205 0 N-CA-C 109.956 -0.387 . . . . 73.22 109.956 176.265 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . . . . . . 0 C--O 1.241 0.643 0 CA-C-O 120.607 0.241 . . . . 73.35 110.811 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.89 81.95 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.304 -0.862 . . . . 74.33 110.866 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.408 HG12 ' CD1' ' A' ' 108' ' ' TYR . 77.9 mt -61.66 -44.19 98.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 116.299 -0.41 . . . . 75.52 109.991 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 81' ' ' ALA . 24.8 mtp-105 -62.28 -45.7 92.09 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.928 -0.578 . . . . 75.1 110.34 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.42 -43.55 90.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.392 -0.822 . . . . 73.22 111.826 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -61.66 -44.54 96.77 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.951 0.501 . . . . 73.42 109.988 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -53.09 62.05 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.554 -0.748 . . . . 71.12 111.406 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -68.5 -30.88 69.8 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.008 -0.542 . . . . 75.55 111.341 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -64.38 -44.18 92.17 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.392 -0.595 . . . . 74.35 109.392 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 . . . . . 0 CA--C 1.493 -1.213 0 CA-C-N 115.991 -0.55 . . . . 75.23 110.508 176.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo . . . . . 0 N--CA 1.456 -0.719 0 CA-C-O 120.904 0.293 . . . . 70.01 112.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.84 -30.74 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.301 -0.863 . . . . 71.22 109.453 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.5 -38.18 90.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.883 -1.053 . . . . 74.21 110.659 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.76 -36.67 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 73.21 109.754 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.4 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.556 -0.747 . . . . 73.24 109.963 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.38 -39.56 94.1 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.384 -0.599 . . . . 51.33 109.384 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.58 93.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.729 -0.668 . . . . 74.45 110.22 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.408 ' CD1' HG12 ' A' ' 83' ' ' ILE . 85.0 t80 -60.63 -47.54 85.76 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.888 0.875 . . . . 64.31 110.402 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -74.55 -17.18 60.77 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.215 -0.902 . . . . 74.0 112.759 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.922 0 N-CA-C 111.883 0.327 . . . . 73.12 111.883 178.1 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 CA--C 1.507 -0.681 0 N-CA-C 110.095 -0.335 . . . . 73.52 110.095 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.99 74.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 74.41 111.447 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.452 HG12 ' CD2' ' A' ' 108' ' ' TYR . 75.0 mt -62.55 -46.72 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.471 -0.566 . . . . 64.4 109.471 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -61.35 -42.19 98.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.776 -0.647 . . . . 75.32 109.676 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 3.9 mm-40 -69.68 -38.03 76.88 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 115.655 -0.702 . . . . 62.41 111.142 -177.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.463 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 73.8 t90 -64.74 -42.25 95.34 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.748 0.785 . . . . 74.42 109.083 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.57 91.33 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.274 -0.875 . . . . 64.54 110.556 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.418 HH21 ' CD ' ' A' ' 85' ' ' GLU . 74.1 mtm180 -75.07 -32.12 61.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.768 0.318 . . . . 75.35 110.907 176.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 61.1 ttt180 -57.04 -43.32 81.86 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.187 1.395 . . . . 74.32 108.948 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 114.85 -1.068 . . . . 74.32 110.44 175.653 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.459 -0.529 0 N-CA-C 110.812 -0.495 . . . . 74.3 110.812 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.77 72.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.855 -0.611 . . . . 72.42 109.726 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.76 -37.58 88.08 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.041 -0.981 . . . . 51.42 110.029 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -68.78 -42.73 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 75.14 110.327 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.33 -49.89 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 64.11 110.349 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.78 -37.31 84.33 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.035 -0.53 . . . . 65.42 110.778 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.59 98.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.738 -0.664 . . . . 73.13 109.887 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.452 ' CD2' HG12 ' A' ' 83' ' ' ILE . 61.2 t80 -59.32 -45.21 91.97 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.632 0.773 . . . . 75.4 110.694 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -70.06 -24.23 63.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.983 -0.553 . . . . 74.33 112.264 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.096 0.474 . . . . 71.3 110.708 176.126 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.752 0.31 . . . . 72.02 111.148 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.76 76.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.565 . . . . 72.34 110.64 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.75 -39.91 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.848 -0.615 . . . . 63.04 109.569 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.13 -38.37 78.8 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.913 0.387 . . . . 74.41 109.959 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 30.6 mm-40 -64.05 -44.2 93.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.914 -0.585 . . . . 64.1 110.019 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.78 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.585 0.754 . . . . 73.31 110.152 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.43 85.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.073 -0.512 . . . . 75.4 110.574 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -70.54 -31.34 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.95 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.09 -39.56 92.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.898 -0.778 . . . . 73.31 108.898 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 . . . . . 0 C--N 1.305 -1.354 0 CA-C-N 115.88 -0.6 . . . . 65.53 110.629 176.747 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 N--CA 1.456 -0.734 0 CA-C-O 120.957 0.315 . . . . 75.01 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.17 -33.15 68.91 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 123.502 0.721 . . . . 43.33 109.777 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.97 -40.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.361 -0.836 . . . . 73.41 109.47 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.55 -40.67 82.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.51 -0.768 . . . . 64.41 110.501 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' ' HD2' ' A' ' 109' ' ' HIS . 71.3 mt -60.79 -48.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.914 0.387 . . . . 73.01 110.241 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.08 -38.48 88.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.338 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.8 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.015 -0.538 . . . . 62.22 109.897 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.59 -48.04 80.48 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.762 0.825 . . . . 73.14 110.729 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . 0.414 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 70.0 m-70 -71.56 -26.16 62.51 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 112.808 0.669 . . . . 72.33 112.808 -178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.97 0 N-CA-C 112.899 0.703 . . . . 55.2 112.899 -178.8 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.213 -0.817 0 N-CA-C 109.62 -0.511 . . . . 74.11 109.62 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.91 97.05 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.181 0.515 . . . . 73.51 110.74 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.71 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.51 -0.768 . . . . 73.12 109.75 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.34 -35.62 78.04 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.446 -0.343 . . . . 75.42 111.327 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 8.9 mm-40 -62.84 -45.98 90.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.064 0.459 . . . . 64.32 110.288 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -64.64 -41.15 96.35 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-O 121.586 0.708 . . . . 74.12 109.686 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.68 93.66 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.163 -0.926 . . . . 73.42 110.605 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -68.58 -31.42 70.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.699 0.259 . . . . 75.34 111.699 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -61.07 -45.51 94.43 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.383 -0.599 . . . . 74.02 109.383 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 . . . . . 0 CA--C 1.506 -0.736 0 CA-C-N 115.382 -0.826 . . . . 75.54 111.176 178.42 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 N--CA 1.458 -0.594 0 N-CA-C 111.07 -0.396 . . . . 75.13 111.07 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.69 71.63 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.688 -0.856 . . . . 55.5 108.688 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.05 -43.22 91.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.405 -1.271 . . . . 72.35 109.581 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.59 -40.35 81.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.858 -0.61 . . . . 73.34 110.157 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.26 -44.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.044 -0.525 . . . . 64.52 110.262 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.27 -40.83 96.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.123 -0.489 . . . . 75.34 110.055 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 74.24 110.453 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.19 -42.49 99.33 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 124.056 0.942 . . . . 72.23 110.938 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -75.32 -27.08 59.12 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.87 -0.605 . . . . 74.22 112.32 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.853 0 CA-C-N 116.472 -0.331 . . . . 75.43 111.384 178.889 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.866 0 N-CA-C 108.825 -0.806 . . . . 62.42 108.825 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.54 71.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.537 -0.756 . . . . 70.33 110.759 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 108' ' ' TYR . 60.4 mt -69.95 -43.76 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.754 -0.832 . . . . 73.25 108.754 177.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.59 -39.61 80.85 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.822 -0.627 . . . . 74.52 110.362 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 22.9 mm-40 -60.61 -58.39 8.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.439 -0.8 . . . . 65.23 110.059 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -53.94 -41.45 67.75 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.977 0.911 . . . . 72.54 110.916 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.01 75.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 73.44 110.585 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.81 62.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.601 0.223 . . . . 72.1 111.601 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 83.1 mtt180 -67.52 -43.12 81.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.648 -0.501 . . . . 75.41 109.648 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 115.866 -0.606 . . . . 65.35 110.968 177.872 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo . . . . . 0 N--CA 1.46 -0.484 0 CA-C-O 121.168 0.403 . . . . 74.23 111.773 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.57 72.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.357 -0.838 . . . . 75.13 109.527 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -41.83 91.07 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.185 -0.916 . . . . 73.41 109.428 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.28 -40.32 82.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 115.655 -0.702 . . . . 63.43 110.437 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.36 -47.33 92.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.266 -0.425 . . . . 75.11 110.597 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.56 -43.7 93.07 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.304 -0.407 . . . . 70.2 110.134 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.89 89.2 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.516 0.51 . . . . 51.33 110.624 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.412 ' CD2' HG12 ' A' ' 83' ' ' ILE . 86.6 t80 -61.52 -42.14 98.36 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.343 0.657 . . . . 71.24 111.028 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -76.19 -27.77 57.02 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.472 0.545 . . . . 71.32 112.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.99 0 N-CA-C 111.985 0.365 . . . . 62.2 111.985 -178.915 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 121.348 0.594 . . . . 60.32 109.454 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.2 71.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.803 -1.09 . . . . 61.43 110.034 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.26 -43.9 84.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.427 -0.583 . . . . 72.1 109.427 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 42.7 mtp180 -58.47 -46.96 85.57 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.271 0.557 . . . . 72.34 110.375 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.1 -40.87 86.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.489 -0.778 . . . . 74.31 110.959 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.83 -42.71 99.37 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.783 0.801 . . . . 71.14 109.34 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.86 95.63 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.022 -0.99 . . . . 62.35 110.852 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 41.8 mtm105 -70.49 -33.13 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.337 0.589 . . . . 74.54 110.373 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -65.97 -34.47 78.18 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.171 0.986 . . . . 74.42 109.096 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 C--N 1.291 -1.952 0 CA-C-N 114.331 -1.304 . . . . 72.43 112.538 -179.63 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' HG13 ' A' ' 105' ' ' ILE . 32.4 Cg_exo . . . . . 0 N--CA 1.471 0.188 0 CA-C-O 120.785 0.244 . . . . 75.33 112.189 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.2 -28.47 69.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.789 0.836 . . . . 63.13 110.29 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -46.28 89.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 108.545 -0.909 . . . . 63.42 108.545 174.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.97 -38.39 81.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.006 0 CA-C-N 114.624 -1.171 . . . . 70.3 110.501 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 101' ' ' PRO . 60.8 mt -62.52 -47.56 92.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.254 -0.43 . . . . 75.04 111.719 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.2 -36.63 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.783 -0.767 . . . . 75.0 109.948 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.44 99.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 73.33 109.89 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.29 -47.81 83.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 123.812 0.845 . . . . 75.4 110.797 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -71.34 -28.0 63.77 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 113.119 0.785 . . . . 71.42 113.119 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.966 0 C-N-CA 120.734 -0.386 . . . . 72.34 111.456 178.504 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.833 -0.432 . . . . 74.02 109.833 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.65 94.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.405 -0.816 . . . . 74.03 110.644 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.94 -43.98 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.953 -0.567 . . . . 74.11 109.857 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -59.42 -46.18 89.44 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.616 -0.265 . . . . 72.22 111.362 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 14.3 mm-40 -63.31 -41.58 98.96 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.52 -0.309 . . . . 73.54 111.403 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.479 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 78.4 t90 -66.66 -41.0 88.87 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-O 121.775 0.798 . . . . 65.25 110.21 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.25 91.37 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.135 -0.938 . . . . 72.12 110.499 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -69.77 -31.84 70.0 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.287 -0.415 . . . . 73.54 110.7 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.479 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 29.9 ttt180 -56.88 -45.63 82.39 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.775 -0.824 . . . . 71.33 108.775 174.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.089 -0.959 . . . . 62.42 110.541 176.356 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.435 ' O ' HG13 ' A' ' 105' ' ' ILE . 51.9 Cg_exo . . . . . 0 CA--C 1.515 -0.439 0 CA-C-O 120.747 0.228 . . . . 64.35 111.883 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.38 -34.17 73.51 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.747 -0.66 . . . . 72.33 109.925 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -58.75 -43.54 90.31 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 115.283 -0.871 . . . . 63.43 109.932 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.22 -40.7 87.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-N 115.324 -0.853 . . . . 75.01 110.352 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 101' ' ' PRO . 67.0 mt -61.17 -48.11 90.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.784 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.627 -0.509 . . . . 72.2 109.627 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.37 95.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 72.21 110.547 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -58.92 -42.41 89.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 123.704 0.802 . . . . 74.24 110.724 177.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -75.24 -35.02 61.47 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.479 -0.782 . . . . 60.43 112.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.911 0 N-CA-C 111.788 0.292 . . . . 75.54 111.788 -179.263 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.143 0.497 . . . . 65.33 110.31 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.78 83.63 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.117 -0.947 . . . . 63.13 110.526 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -66.52 -38.72 82.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 109.113 -0.699 . . . . 73.45 109.113 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 53.5 mtp180 -62.08 -44.92 95.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.731 . . . . 73.2 109.386 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.2 -44.08 76.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 75.24 110.999 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -59.0 -40.8 86.02 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.417 0.627 . . . . 75.35 109.877 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.61 75.01 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.581 -0.736 . . . . 63.24 110.051 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 17.1 mtm180 -63.04 -37.78 88.54 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 110.11 -0.33 . . . . 70.21 110.11 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.9 -45.52 82.55 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.012 0.925 . . . . 73.11 109.788 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 . . . . . 0 CA--C 1.513 -0.477 0 CA-C-N 115.46 -0.791 . . . . 74.52 111.926 179.625 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.456 -0.709 0 CA-C-O 121.274 0.448 . . . . 74.43 112.305 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.43 71.55 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.133 -0.939 . . . . 72.22 109.653 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.33 -42.32 95.38 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.505 -1.294 . . . . 70.4 107.505 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.21 -41.08 83.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 114.736 -1.12 . . . . 71.34 110.571 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.69 -43.76 95.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.842 0.353 . . . . 72.42 110.573 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.774 -0.371 . . . . 75.02 110.237 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.13 98.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.051 -0.522 . . . . 75.5 110.166 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.94 -40.45 93.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.83 0.852 . . . . 75.14 110.862 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -78.69 -26.25 44.88 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 112.732 0.642 . . . . 73.44 112.732 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.094 0 CA-C-O 121.019 0.438 . . . . 72.34 111.609 178.566 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.705 0.288 . . . . 72.35 110.911 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.58 81.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 53.25 111.041 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.81 -39.53 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.545 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.434 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 13.6 mtm180 -63.7 -47.61 80.46 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.661 -0.866 . . . . 74.25 108.661 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 38.4 mm-40 -60.76 -45.84 92.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.02 -0.991 . . . . 73.34 109.966 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -58.36 -46.18 86.79 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.514 0.726 . . . . 71.01 110.12 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.61 98.63 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.512 -0.767 . . . . 74.44 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 26.4 mtp180 -68.46 -35.72 77.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.675 0.274 . . . . 73.44 110.303 178.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.44 -37.74 81.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.741 0.816 . . . . 74.43 110.077 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 . . . . . 0 C--N 1.316 -0.855 0 CA-C-N 115.988 -0.551 . . . . 61.45 111.144 176.806 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo . . . . . 0 CA--C 1.516 -0.407 0 CA-C-O 121.246 0.436 . . . . 72.02 111.571 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.79 -38.82 76.15 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.271 1.028 . . . . 64.14 110.954 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.82 -33.39 75.75 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.033 -0.53 . . . . 63.25 109.844 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 t -70.56 -38.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 116.021 -0.536 . . . . 74.15 110.39 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.78 -46.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.196 0.522 . . . . 75.04 109.656 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.81 -43.1 97.27 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.393 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.82 -0.627 . . . . 74.42 110.286 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -56.08 -51.24 68.59 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.045 0.938 . . . . 65.03 110.399 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -65.95 -31.36 72.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.263 -0.88 . . . . 75.44 112.378 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.094 0 CA-C-O 120.683 0.277 . . . . 71.11 111.48 -179.706 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.027 -0.731 . . . . 75.1 109.027 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.704 -0.68 . . . . 73.33 110.322 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.78 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.414 -0.587 . . . . 71.14 109.414 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.45 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 37.6 mtp180 -61.66 -44.24 97.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.593 -0.276 . . . . 64.24 110.723 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 46.6 mt-10 -62.03 -46.85 87.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 72.25 110.196 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.11 -42.07 89.69 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 123.539 0.736 . . . . 71.53 110.044 175.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.8 71.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.537 -0.756 . . . . 62.13 111.069 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 75.8 mtp180 -75.47 -34.52 60.91 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.097 0.559 . . . . 75.05 110.904 176.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 85.7 mtt180 -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.31 0.576 . . . . 72.34 109.587 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 . . . . . 0 C--N 1.312 -1.029 0 CA-C-N 115.387 -0.824 . . . . 73.31 111.673 179.21 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo . . . . . 0 N--CA 1.445 -1.343 0 N-CA-C 111.118 -0.378 . . . . 73.4 111.118 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.64 68.67 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 108.969 -0.752 . . . . 71.21 108.969 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -61.87 -41.39 97.8 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.852 -1.067 . . . . 74.0 109.052 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.92 -42.07 77.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 115.048 -0.978 . . . . 74.21 110.215 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.25 -42.8 96.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.916 -0.584 . . . . 74.24 109.72 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.36 -42.51 98.81 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.586 -0.734 . . . . 73.41 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.39 94.22 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.167 -0.924 . . . . 54.4 110.398 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -60.41 -41.54 94.13 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.34 0.656 . . . . 74.15 110.763 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -73.3 -27.81 61.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.683 -0.69 . . . . 74.51 111.46 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 CA-C-O 121.474 0.654 . . . . 72.41 109.806 176.358 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.731 0 N-CA-C 110.882 -0.044 . . . . 63.13 110.882 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.53 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.332 0.395 . . . . 71.42 110.327 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.4 mt -63.23 -43.71 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.266 -0.642 . . . . 72.34 109.266 176.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -64.08 -37.43 87.42 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.309 -0.405 . . . . 74.14 110.436 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 13.7 mm-40 -60.25 -54.39 46.34 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 123.321 0.388 . . . . 71.54 110.444 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -55.41 -44.12 75.91 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.753 0.821 . . . . 74.13 110.187 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.48 77.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.616 -0.72 . . . . 60.44 110.329 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.93 -41.83 92.63 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.509 0.724 . . . . 72.25 111.165 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 95.9 mtt180 -64.76 -36.24 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.1 -0.5 . . . . 73.44 111.087 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 CA--C 1.504 -0.807 0 CA-C-N 116.323 -0.398 . . . . 62.34 111.148 176.666 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 N--CA 1.451 -1.021 0 N-CA-C 110.478 -0.624 . . . . 74.44 110.478 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.755 -0.657 . . . . 72.32 109.229 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -44.26 92.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.885 -1.052 . . . . 74.24 109.83 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.01 -43.42 89.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.758 -0.655 . . . . 62.44 110.293 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.25 -45.39 98.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.292 0.568 . . . . 74.32 110.238 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.13 -40.73 90.86 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.748 -0.66 . . . . 64.3 110.391 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.41 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 116.009 -0.541 . . . . 72.52 109.939 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -59.01 -41.71 88.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 123.518 0.727 . . . . 72.31 110.907 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -75.98 -33.91 59.77 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.707 0.632 . . . . 73.33 112.707 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.787 0 CA-C-O 121.37 0.605 . . . . 75.03 111.043 178.74 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.601 0 N-CA-C 109.919 -0.4 . . . . 74.24 109.919 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.15 94.81 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.922 -0.581 . . . . 72.34 109.569 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.37 -43.39 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.21 -0.904 . . . . 74.35 109.237 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -61.99 -46.94 87.04 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.827 -0.624 . . . . 75.11 111.033 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -61.09 -43.84 98.27 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 122.59 0.356 . . . . 74.23 111.301 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.48 -44.91 92.93 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.538 0.685 . . . . 72.4 109.54 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.89 99.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.415 -0.811 . . . . 71.4 110.909 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -67.19 -37.19 83.26 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.496 0.719 . . . . 74.51 110.136 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.33 -36.84 85.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.362 -0.836 . . . . 75.31 110.238 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 . . . . . 0 C--N 1.314 -0.936 0 CA-C-O 121.25 0.548 . . . . 74.15 110.401 175.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 N--CA 1.457 -0.66 0 CA-C-O 121.025 0.344 . . . . 75.32 111.272 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.12 72.12 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.574 -0.739 . . . . 64.42 110.161 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.39 -34.21 77.45 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.472 -0.786 . . . . 73.3 109.829 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.104 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 75.7 mt -60.97 -45.35 98.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.176 0.512 . . . . 73.23 109.793 176.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.57 -40.99 93.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.7 -0.682 . . . . 71.11 110.374 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.83 99.21 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.895 -0.593 . . . . 74.24 110.154 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 60.4 t80 -56.46 -44.19 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.787 0.835 . . . . 74.55 110.638 176.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -72.67 -39.52 67.04 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.391 -0.822 . . . . 75.42 112.556 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.94 0 N-CA-C 112.532 0.567 . . . . 72.42 112.532 -178.425 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.832 0 N-CA-C 110.214 -0.291 . . . . 54.31 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.33 78.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.57 -0.741 . . . . 71.34 111.273 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -71.13 -45.1 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 109.26 -0.644 . . . . 74.35 109.26 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -60.46 -41.03 93.27 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.341 -0.39 . . . . 74.45 110.914 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.91 -39.88 69.22 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.075 -0.511 . . . . 73.24 111.85 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.46 -46.3 90.65 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 121.759 0.79 . . . . 75.3 109.286 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.83 -49.66 75.41 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 114.722 -1.127 . . . . 72.41 111.591 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -76.82 -17.69 58.85 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.004 0.372 . . . . 62.11 112.004 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -68.65 -42.32 78.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.598 -1.26 . . . . 74.23 107.598 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 . . . . . 0 CA--C 1.51 -0.588 0 CA-C-N 115.155 -0.929 . . . . 73.33 110.97 176.107 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.097 -0.386 . . . . 74.04 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.64 69.96 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.935 -0.575 . . . . 74.12 109.742 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.51 -41.43 98.84 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.227 -0.897 . . . . 74.34 109.495 173.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.16 -41.86 84.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-N 115.581 -0.736 . . . . 64.43 110.211 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.08 -46.9 93.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.22 -35.83 81.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.425 . . . . 70.13 110.099 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.65 91.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.706 -0.679 . . . . 75.04 110.344 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.78 -39.45 88.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.312 0.645 . . . . 72.44 110.375 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -77.28 -27.07 52.98 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.806 -0.634 . . . . 71.35 112.603 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.896 0 CA-C-O 120.884 0.373 . . . . 75.15 111.848 -179.789 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 0 CA-C-O 121.19 0.519 . . . . 65.04 110.048 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.76 73.64 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.302 -0.863 . . . . 73.52 110.204 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 108' ' ' TYR . 56.3 mt -68.89 -42.57 82.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.019 -0.734 . . . . 72.43 109.019 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.528 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 75.0 mtt180 -60.82 -44.46 96.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.808 -0.633 . . . . 64.4 110.432 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -74.34 -30.63 62.11 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 112.437 0.532 . . . . 73.23 112.437 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.453 ' CG ' ' HD1' ' A' ' 108' ' ' TYR . 57.4 t90 -66.38 -36.18 82.21 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.066 -0.716 . . . . 72.23 109.066 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.12 96.86 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.268 -0.878 . . . . 75.45 109.451 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.0 mmt180 -62.95 -43.89 97.55 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.057 -0.72 . . . . 75.55 109.057 176.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 37.5 ttm180 -54.55 -44.2 72.68 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.468 1.507 . . . . 72.11 110.76 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 . . . . . 0 CA--C 1.495 -1.143 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.933 177.57 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo . . . . . 0 C--O 1.239 0.561 0 CA-C-O 121.351 0.479 . . . . 74.54 111.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.34 -35.69 72.28 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.01 -0.996 . . . . 74.55 110.032 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.86 -41.42 91.45 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.259 -0.882 . . . . 74.32 109.983 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -66.52 -40.87 87.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.858 -0.61 . . . . 73.45 110.292 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.97 -48.41 86.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.163 -0.472 . . . . 74.42 110.898 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -35.69 80.35 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 120.574 0.226 . . . . 72.05 111.274 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.78 93.87 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.255 -0.43 . . . . 71.24 109.841 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.483 ' CD2' HG12 ' A' ' 83' ' ' ILE . 89.3 t80 -58.58 -47.55 83.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.909 0.484 . . . . 72.42 110.965 178.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -69.79 -29.53 66.86 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 113.146 0.795 . . . . 72.11 113.146 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.539 0 C-N-CA 120.409 -0.516 . . . . 62.22 111.21 178.808 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 110.02 -0.363 . . . . 71.31 110.02 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.87 87.01 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.34 111.065 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.67 -43.29 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.229 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -63.32 -45.97 88.87 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.053 -0.521 . . . . 63.31 110.488 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 28.6 mm-40 -64.21 -42.08 96.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.633 -0.712 . . . . 73.4 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -57.54 -48.16 80.05 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.76 0.824 . . . . 75.24 109.268 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.57 77.18 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.221 -0.9 . . . . 72.54 110.905 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.418 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -71.91 -15.19 62.09 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.976 -0.556 . . . . 70.41 111.46 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -78.4 -45.45 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.658 -0.867 . . . . 74.4 108.658 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--N 1.307 -1.273 0 CA-C-N 114.304 -1.317 . . . . 64.43 111.941 -176.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo . . . . . 0 N--CA 1.445 -1.345 0 CA-C-O 121.303 0.46 . . . . 65.43 111.531 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.78 74.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.233 -0.894 . . . . 73.55 108.765 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.15 -35.97 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.143 -0.935 . . . . 71.34 109.921 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.9 t -68.38 -37.43 77.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.125 -0.488 . . . . 73.15 109.721 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.25 -44.4 99.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.696 -0.483 . . . . 71.12 109.696 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.57 -41.8 97.92 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.604 -0.517 . . . . 74.3 109.604 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.55 85.27 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-N 115.357 -0.838 . . . . 75.44 110.078 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.57 -39.22 76.26 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.705 0.802 . . . . 74.25 110.606 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -81.68 -18.27 45.06 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.542 0.941 . . . . 74.42 113.542 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.863 0 N-CA-C 112.809 0.67 . . . . 72.52 112.809 177.677 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 110.1 -0.333 . . . . 75.5 110.1 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 -34.61 73.18 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.022 -0.535 . . . . 71.25 111.564 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 52.4 mt -67.45 -39.74 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.839 -0.43 . . . . 74.1 109.839 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.408 ' HB2' ' HE ' ' A' ' 84' ' ' ARG . 27.1 mtm180 -63.47 -46.03 88.06 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 74.41 108.565 178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 34.0 mm-40 -62.51 -47.11 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.756 -1.111 . . . . 73.34 110.347 -177.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.32 -42.85 82.65 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 115.739 -0.664 . . . . 73.03 109.98 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.64 97.47 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.427 -0.806 . . . . 75.44 110.914 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -72.33 -30.21 64.54 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 111.762 0.282 . . . . 75.42 111.762 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.992 -0.373 . . . . 72.23 109.992 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.26 -0.427 . . . . 74.32 111.674 177.683 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 110.089 -0.774 . . . . 70.14 110.089 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.947 0.499 . . . . 74.24 110.138 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.94 -37.54 87.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.298 -0.865 . . . . 73.04 109.572 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -70.85 -38.08 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.868 -0.606 . . . . 75.14 110.337 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.23 -43.75 98.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.656 -0.498 . . . . 72.52 109.656 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.75 -42.41 97.34 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.62 -0.718 . . . . 71.13 109.597 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.89 96.32 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.244 -0.889 . . . . 65.05 110.833 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -61.97 -42.65 99.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.149 0.579 . . . . 71.24 110.689 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -70.9 -28.56 64.63 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.906 -0.588 . . . . 71.51 111.878 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.027 0 CA-C-N 116.531 -0.304 . . . . 64.13 111.417 177.748 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.7 ttm . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 107.912 -1.144 . . . . 72.22 107.912 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m 72.83 -46.92 0.66 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.334 1.054 . . . . 74.13 113.331 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.11 45.95 1.8 Allowed Glycine 0 N--CA 1.429 -1.778 0 N-CA-C 109.235 -1.546 . . . . 72.12 109.235 -175.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -66.1 140.89 58.26 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 123.424 0.69 . . . . 75.2 111.749 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.13 87.83 1.09 Allowed Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 109.297 -1.521 . . . . 71.44 109.297 175.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? 63.56 70.82 0.51 Allowed 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 124.372 1.069 . . . . 72.11 110.01 -174.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.52 -37.2 85.08 Favored Glycine 0 CA--C 1.495 -1.162 0 N-CA-C 109.562 -1.415 . . . . 75.41 109.562 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 66.35 -178.59 0.2 Allowed 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.705 1.202 . . . . 73.33 112.057 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.34 83.92 0.05 OUTLIER Glycine 0 N--CA 1.428 -1.852 0 N-CA-C 110.702 -0.959 . . . . 70.43 110.702 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.94 115.83 14.02 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.017 -0.734 . . . . 64.23 109.017 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mm -115.62 146.02 20.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 N-CA-C 106.625 -1.62 . . . . 71.24 106.625 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . 0.267 4.1 m-20 -84.95 71.71 10.89 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 122.431 1.11 . . . . 53.24 111.891 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.3 mtm-85 -179.58 151.09 0.44 Allowed 'General case' 0 CA--C 1.473 -2.005 0 C-N-CA 129.896 3.279 . . . . 74.24 104.762 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.78 115.5 14.44 Favored 'General case' 0 C--N 1.282 -2.369 0 CA-C-O 121.521 0.677 . . . . 71.12 111.783 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.535 ' O ' HG13 ' A' ' 83' ' ' ILE . 84.2 mm-40 -112.49 -18.68 12.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.214 -0.903 . . . . 74.52 111.551 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 m -56.82 -44.42 82.01 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.585 0.587 . . . . 71.45 112.585 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.12 99.37 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.07 0.462 . . . . 74.32 110.336 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.57 77.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.132 -0.94 . . . . 75.54 110.909 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.2 mt -60.44 -44.06 95.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 109.438 -0.578 . . . . 62.14 109.438 176.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -64.76 -43.55 92.93 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.961 -0.563 . . . . 74.3 111.079 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.9 -39.7 79.58 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 116.644 -0.253 . . . . 75.32 111.656 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -63.57 -39.8 95.32 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.265 0.555 . . . . 75.3 109.675 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.05 76.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.57 -0.741 . . . . 73.35 109.758 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -60.65 -41.51 95.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.297 -0.411 . . . . 75.22 110.525 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -58.96 -39.14 80.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.483 1.113 . . . . 74.12 111.059 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -85.63 -17.71 35.36 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.279 0.474 . . . . 65.11 112.279 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.59 13.12 Favored Glycine 0 N--CA 1.44 -1.094 0 C-N-CA 120.944 -0.646 . . . . 65.24 111.558 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -81.06 164.86 22.15 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-O 121.026 0.441 . . . . 62.1 110.113 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -89.06 78.31 7.45 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 122.025 0.917 . . . . 74.0 110.412 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.71 151.59 27.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 104.452 -2.425 . . . . 75.32 104.452 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m 79.68 -39.22 0.2 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.646 1.178 . . . . 64.32 110.171 -176.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.0 p -86.96 -12.41 47.65 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-O 122.439 1.114 . . . . 75.31 107.997 173.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -123.7 147.72 47.19 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 106.572 -1.64 . . . . 71.44 106.572 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.76 154.1 43.09 Favored Glycine 0 C--O 1.254 1.382 0 O-C-N 123.862 0.726 . . . . 64.31 111.838 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 63.23 -173.4 0.16 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.993 0.917 . . . . 75.34 111.694 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt -118.63 120.18 31.98 Favored Pre-proline 0 C--N 1.297 -1.717 0 N-CA-C 106.187 -1.783 . . . . 74.45 106.187 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.7 128.25 27.49 Favored 'Trans proline' 0 C--O 1.24 0.589 0 C-N-CA 122.052 1.835 . . . . 75.52 111.321 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.3 71.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.935 -0.575 . . . . 64.31 110.075 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.02 -32.07 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 63.04 110.088 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.75 -39.56 60.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.04 110.248 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.026 -0.731 . . . . 74.33 109.026 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.817 -1.083 . . . . 71.21 110.256 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.91 93.75 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.563 -0.744 . . . . 72.21 110.431 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.459 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.0 t80 -58.23 -43.31 87.67 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.194 0.997 . . . . 74.21 110.635 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -72.52 -39.87 67.25 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.451 -0.795 . . . . 73.55 112.562 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.16 -34.82 68.77 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 120.758 0.314 . . . . 72.31 111.749 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.98 114.94 8.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.511 0.672 . . . . 71.34 112.253 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--N 1.29 -2.013 0 CA-C-N 115.074 -0.966 . . . . 72.15 108.999 176.753 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 CA--C 1.51 -0.56 0 N-CA-C 108.285 -1.005 . . . . 63.13 108.285 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.1 p 59.63 -70.79 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.722 1.749 . . . . 74.21 115.722 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.17 -179.63 52.7 Favored Glycine 0 C--O 1.247 0.968 0 C-N-CA 121.669 -0.3 . . . . 45.54 113.089 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.2 m -158.44 146.67 18.49 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.088 -1.078 . . . . 73.32 108.088 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.12 164.55 40.58 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.679 -0.772 . . . . 73.23 112.589 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -102.09 -47.03 4.67 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.202 -1.036 . . . . 73.22 108.202 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.33 -69.79 2.52 Favored Glycine 0 N--CA 1.428 -1.89 0 CA-C-N 115.171 -0.922 . . . . 63.33 111.342 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -137.49 168.62 19.29 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 108.537 -0.912 . . . . 74.34 108.537 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.62 -154.2 17.09 Favored Glycine 0 N--CA 1.427 -1.927 0 C-N-CA 120.954 -0.641 . . . . 64.41 112.207 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -120.04 144.32 47.62 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 107.485 -1.302 . . . . 75.33 107.485 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -130.41 124.42 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 N-CA-C 108.667 -0.864 . . . . 71.31 108.667 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -148.63 133.72 18.23 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.479 -0.563 . . . . 71.1 109.479 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.485 ' HD3' ' H ' ' A' ' 78' ' ' GLU . 16.7 tpp180 -169.68 161.53 9.37 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.351 -0.981 . . . . 73.15 108.351 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.485 ' H ' ' HD3' ' A' ' 77' ' ' ARG . 36.1 tt0 -50.17 -35.29 25.55 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 126.308 1.843 . . . . 73.42 111.243 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.36 92.67 2.32 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.825 -1.176 . . . . 72.32 107.825 171.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 -43.9 0.52 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 115.486 -0.779 . . . . 64.15 110.325 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.61 -33.0 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.278 -1.008 . . . . 71.22 108.278 173.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.17 -37.26 79.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.575 -1.193 . . . . 74.35 110.286 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.478 HG12 ' CD1' ' A' ' 108' ' ' TYR . 49.8 mt -64.93 -41.11 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.047 -0.723 . . . . 73.31 109.047 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -62.87 -41.25 99.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.155 -0.93 . . . . 73.55 110.242 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.15 -46.21 81.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.241 0.543 . . . . 65.31 110.135 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.12 -43.11 91.92 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.479 -0.782 . . . . 74.45 110.14 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.84 99.18 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.327 -0.851 . . . . 75.43 110.374 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -68.12 -37.2 80.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.683 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -63.94 -45.35 89.56 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.619 0.247 . . . . 74.11 111.185 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -72.22 -32.15 66.5 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.213 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.47 16.35 34.73 Favored Glycine 0 N--CA 1.428 -1.856 0 N-CA-C 111.124 -0.79 . . . . 72.13 111.124 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -73.49 -37.23 65.79 Favored 'General case' 0 CA--C 1.492 -1.267 0 N-CA-C 106.861 -1.533 . . . . 74.22 106.861 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 70.24 177.35 0.27 Allowed 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 112.946 -1.934 . . . . 61.22 109.013 -173.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 99' ' ' ARG . 22.9 t -111.54 -87.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 C-N-CA 119.336 -0.946 . . . . 73.12 109.509 -176.154 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 99' ' ' ARG . 71.1 m -175.85 107.48 0.08 Allowed 'General case' 0 C--O 1.253 1.238 0 N-CA-C 105.72 -1.955 . . . . 70.41 105.72 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 p -64.74 82.02 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.825 0.821 . . . . 72.42 112.773 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -170.45 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 128.366 2.666 . . . . 73.14 105.851 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.0 27.47 4.55 Favored Glycine 0 N--CA 1.438 -1.171 0 N-CA-C 109.586 -1.406 . . . . 64.25 109.586 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.7 tmt_? -108.46 123.37 48.76 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 106.693 -1.595 . . . . 74.4 106.693 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.4 mt -101.5 120.01 55.82 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 109.456 -0.572 . . . . 62.04 109.456 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.459 ' O ' HG13 ' A' ' 105' ' ' ILE . 21.8 Cg_exo -66.81 124.32 12.16 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.589 2.192 . . . . 54.32 111.797 176.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -27.85 68.33 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.184 0.516 . . . . 73.32 109.704 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.55 -44.9 93.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.041 -0.982 . . . . 75.42 109.376 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.6 -34.79 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.092 -0.958 . . . . 75.33 110.247 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 101' ' ' PRO . 66.0 mt -64.71 -43.98 96.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.705 -0.679 . . . . 72.22 110.542 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.54 -40.29 95.32 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.262 0.553 . . . . 63.21 109.676 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.92 88.18 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.493 -0.776 . . . . 71.12 109.929 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.478 ' CD1' HG12 ' A' ' 83' ' ' ILE . 74.7 t80 -56.26 -52.64 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 124.152 0.981 . . . . 74.34 111.348 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -63.43 -34.18 77.17 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.55 0.574 . . . . 74.33 112.55 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.81 -14.58 36.69 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.894 0.702 . . . . 73.42 112.894 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.4 137.62 33.29 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 113.689 0.996 . . . . 75.22 113.689 -177.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 C--N 1.3 -1.544 0 N-CA-C 107.296 -1.372 . . . . 74.02 107.296 173.295 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 112.366 0.506 . . . . 54.33 112.366 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 p -90.55 118.31 29.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.226 0.536 . . . . 74.43 111.321 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.86 -165.87 30.26 Favored Glycine 0 N--CA 1.426 -1.99 0 N-CA-C 110.814 -0.915 . . . . 62.13 110.814 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.5 m 70.54 -62.97 0.42 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.037 1.335 . . . . 54.3 112.326 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.65 -133.88 16.55 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 110.465 -1.054 . . . . 74.32 110.465 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -138.03 152.53 48.94 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 110.165 -0.309 . . . . 74.03 110.165 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.7 -27.18 20.48 Favored Glycine 0 N--CA 1.438 -1.202 0 C-N-CA 120.806 -0.711 . . . . 74.24 111.975 -174.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -109.02 151.53 26.23 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 120.383 -0.527 . . . . 74.11 111.016 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.13 -12.77 55.97 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.903 -0.879 . . . . 63.11 110.903 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.28 121.62 13.99 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 107.8 -1.185 . . . . 71.11 107.8 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 81.5 mt -118.81 131.54 71.31 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 CA-C-O 121.073 0.463 . . . . 74.11 110.529 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -165.61 101.49 0.7 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 114.294 -1.321 . . . . 72.22 107.718 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -169.99 -65.99 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.991 -1.004 . . . . 75.44 108.571 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -93.22 -49.58 5.9 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.759 -0.655 . . . . 61.25 109.618 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -137.68 146.9 44.37 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 109.139 -0.689 . . . . 74.51 109.139 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.3 p -160.13 -46.63 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 124.079 0.862 . . . . 73.31 110.327 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.11 78.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.088 -0.505 . . . . 70.23 110.895 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.91 77.49 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.992 -0.549 . . . . 72.53 110.337 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.7 mt -68.15 -39.72 81.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.906 -0.775 . . . . 71.23 108.906 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 61.8 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.67 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.698 -0.683 . . . . 71.12 111.287 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.454 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 74.7 t90 -61.35 -37.99 85.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.676 0.75 . . . . 74.12 109.624 176.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.14 96.01 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.471 -0.786 . . . . 62.15 110.52 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.522 ' HA ' ' OD1' ' A' ' 93' ' ' ASN . 24.2 mtp180 -67.36 -37.71 83.64 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.447 0.642 . . . . 74.01 110.144 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 50.3 ttt180 -57.81 -43.5 85.73 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.778 -1.101 . . . . 74.44 110.61 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -78.98 -36.14 41.87 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.039 -0.528 . . . . 73.32 112.346 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 118.7 6.37 11.53 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.0 -1.095 . . . . 70.14 112.834 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -73.59 -40.09 64.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.5 -1.667 . . . . 74.4 106.5 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.522 ' OD1' ' HA ' ' A' ' 88' ' ' ARG . 90.4 m-20 61.53 88.92 0.08 Allowed 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 113.691 -1.595 . . . . 75.42 113.605 177.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.8 t -97.8 82.51 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 N-CA-C 107.715 -1.217 . . . . 74.23 107.715 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.7 m -149.38 32.07 0.73 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.316 -1.311 . . . . 64.35 107.867 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 p -89.66 16.74 7.36 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.332 -1.304 . . . . 65.42 109.798 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.52 74.37 0.4 Allowed 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 125.383 1.473 . . . . 71.43 110.499 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.7 -145.68 6.22 Favored Glycine 0 N--CA 1.424 -2.143 0 C-N-CA 118.875 -1.631 . . . . 72.04 113.628 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -89.23 167.58 12.97 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 123.097 0.559 . . . . 71.22 110.339 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.1 mt -100.28 127.28 33.54 Favored Pre-proline 0 N--CA 1.432 -1.364 0 N-CA-C 108.703 -0.851 . . . . 73.4 108.703 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.16 131.1 41.39 Favored 'Trans proline' 0 CA--C 1.514 -0.509 0 C-N-CA 123.047 2.498 . . . . 64.12 112.705 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.69 -39.87 59.06 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.333 1.053 . . . . 41.54 110.062 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.18 -47.18 78.82 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 114.801 -1.09 . . . . 74.02 110.702 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.74 -41.02 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.45 0.469 . . . . 72.2 110.447 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.45 -48.59 86.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.725 -0.671 . . . . 75.32 110.549 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.93 -40.67 95.4 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.299 -0.41 . . . . 74.45 110.282 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.97 89.41 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.604 -0.726 . . . . 71.52 110.534 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.59 -42.33 96.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 71.41 109.775 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -75.39 -24.59 57.23 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.364 -0.834 . . . . 74.22 112.19 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.39 -36.87 18.92 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 111.988 0.366 . . . . 62.12 111.988 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.73 132.45 38.14 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 120.956 0.408 . . . . 62.13 111.346 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.298 -1.658 0 N-CA-C 108.835 -0.802 . . . . 72.0 108.835 177.827 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 46.2 ttm . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 108.526 -0.916 . . . . 75.25 108.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.6 m -75.78 91.63 2.96 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 121.885 0.85 . . . . 64.15 111.427 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.93 -54.57 0.03 OUTLIER Glycine 0 C--N 1.296 -1.678 0 N-CA-C 106.854 -2.499 . . . . 73.42 106.854 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.3 m -94.43 125.77 39.29 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 105.754 -1.943 . . . . 74.42 105.754 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.25 39.68 18.41 Favored Glycine 0 C--O 1.248 1.003 0 N-CA-C 108.85 -1.7 . . . . 62.23 108.85 -173.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -78.34 150.68 33.18 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.262 -0.969 . . . . 72.4 111.521 -176.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.59 141.59 5.48 Favored Glycine 0 N--CA 1.416 -2.686 0 N-CA-C 110.117 -1.193 . . . . 71.32 110.117 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -117.18 1.93 12.55 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 109.277 -0.638 . . . . 71.2 109.277 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.55 -60.73 1.5 Allowed Glycine 0 N--CA 1.439 -1.155 0 N-CA-C 108.289 -1.924 . . . . 74.01 108.289 -173.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.07 146.57 52.41 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 105.375 -2.083 . . . . 64.43 105.375 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.8 mt -69.88 115.69 9.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 CA-C-O 121.969 0.89 . . . . 75.04 111.074 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -140.69 138.22 34.11 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 114.038 -1.437 . . . . 72.41 108.91 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -139.19 160.46 39.75 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 116.583 -0.28 . . . . 72.42 110.903 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 73.68 -38.72 0.41 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.393 1.477 . . . . 73.14 114.502 172.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.604 ' O ' HG13 ' A' ' 83' ' ' ILE . 33.0 mt-30 -66.58 -25.5 66.66 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 112.216 0.451 . . . . 73.41 112.216 -174.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 m -68.77 -32.05 71.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.356 0.598 . . . . 73.42 110.092 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.08 -35.87 61.78 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.608 -0.886 . . . . 73.25 108.608 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.96 -32.97 74.7 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.952 -1.022 . . . . 73.2 110.208 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.2 mt -60.11 -44.12 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.954 -0.758 . . . . 75.35 108.954 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.07 -44.9 94.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.161 -0.927 . . . . 74.33 110.257 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.33 -32.15 66.27 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.914 0.709 . . . . 75.2 112.914 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -64.33 -40.41 95.84 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.702 0.763 . . . . 72.3 108.96 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.91 87.47 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.311 -0.858 . . . . 73.23 109.44 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -63.28 -34.89 78.67 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.371 0.508 . . . . 63.32 112.371 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -60.93 -39.35 89.11 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.281 0.632 . . . . 74.02 109.333 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -79.37 -31.3 42.87 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.286 -0.87 . . . . 74.22 111.0 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.16 28.87 5.07 Favored Glycine 0 C--N 1.308 -0.982 0 CA-C-N 115.721 -0.672 . . . . 53.52 112.359 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -80.64 167.1 20.44 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.524 -0.547 . . . . 73.3 109.524 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -91.03 23.66 3.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.169 0.509 . . . . 70.3 110.993 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.64 125.86 39.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 108.572 -0.899 . . . . 73.42 108.572 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.1 t -77.46 151.96 34.44 Favored 'General case' 0 N--CA 1.417 -2.123 0 CA-C-O 121.421 0.629 . . . . 62.42 109.939 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 p -73.38 -19.16 61.06 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 114.934 -1.03 . . . . 75.21 110.272 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -143.26 88.71 2.04 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.844 -0.798 . . . . 72.13 108.844 178.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.86 -137.75 3.17 Favored Glycine 0 N--CA 1.435 -1.42 0 N-CA-C 110.722 -0.951 . . . . 75.42 110.722 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -98.96 137.52 37.38 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.996 -0.372 . . . . 74.12 109.996 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.7 mt -102.15 119.86 55.31 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 109.405 -0.591 . . . . 75.32 109.405 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -59.49 127.52 24.08 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.803 2.336 . . . . 74.44 112.073 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.63 71.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.498 -0.774 . . . . 74.12 110.239 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.096 -0.956 . . . . 74.33 110.71 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 t -71.82 -35.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 CA-C-N 115.111 -0.95 . . . . 75.51 110.113 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.21 -43.89 99.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.025 -0.534 . . . . 74.44 109.681 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.0 -45.22 95.7 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.774 -0.648 . . . . 65.34 110.031 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.91 87.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.954 -1.021 . . . . 60.53 110.498 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.455 ' CD1' HG12 ' A' ' 83' ' ' ILE . 76.8 t80 -61.16 -45.71 93.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.992 0.517 . . . . 75.34 110.839 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -69.74 -23.19 63.35 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 113.014 0.746 . . . . 74.2 113.014 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.97 -28.47 24.23 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.956 -0.387 . . . . 73.22 109.956 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.93 157.35 24.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.646 0.736 . . . . 72.14 111.256 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--N 1.288 -2.072 0 N-CA-C 108.741 -0.837 . . . . 65.4 108.741 179.905 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 CA--C 1.511 -0.553 0 N-CA-C 109.309 -0.626 . . . . 73.41 109.309 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.6 t -153.38 172.51 16.96 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 105.631 -1.988 . . . . 73.41 105.631 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.6 52.02 2.75 Favored Glycine 0 N--CA 1.427 -1.951 0 C-N-CA 120.41 -0.9 . . . . 73.53 112.537 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 m -104.59 90.85 3.64 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.477 -0.935 . . . . 72.33 108.477 174.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.11 135.72 8.75 Favored Glycine 0 N--CA 1.439 -1.123 0 N-CA-C 111.051 -0.82 . . . . 64.31 111.051 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -102.68 154.34 19.25 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.124 0.488 . . . . 75.22 111.178 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -157.11 175.79 34.49 Favored Glycine 0 C--N 1.299 -1.515 0 N-CA-C 108.42 -1.872 . . . . 74.52 108.42 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -85.86 93.3 8.88 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 118.394 1.097 . . . . 74.3 110.527 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.77 -23.27 2.64 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 107.883 -2.087 . . . . 74.13 107.883 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.39 79.25 3.45 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 107.2 -1.407 . . . . 61.31 107.2 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.3 mt -84.16 148.1 5.21 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 CA-C-N 113.435 -1.711 . . . . 74.33 108.097 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -75.49 94.49 3.14 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.964 0.888 . . . . 70.41 112.607 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -80.37 -53.0 7.02 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 106.346 -1.724 . . . . 75.01 106.346 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -110.58 119.79 40.29 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 105.87 -1.9 . . . . 72.23 105.87 176.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 83' ' ' ILE . 45.5 mt-30 -85.03 83.45 8.05 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.554 0.946 . . . . 71.54 113.554 -173.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -61.61 -35.12 76.95 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.005 -0.998 . . . . 73.43 111.108 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . -65.11 -45.93 83.14 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 116.052 -0.522 . . . . 73.35 110.811 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.89 81.95 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.304 -0.862 . . . . 74.33 110.866 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 79' ' ' GLN . 77.9 mt -61.66 -44.19 98.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 116.299 -0.41 . . . . 75.52 109.991 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 81' ' ' ALA . 24.8 mtp-105 -62.28 -45.7 92.09 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.928 -0.578 . . . . 75.1 110.34 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.42 -43.55 90.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.392 -0.822 . . . . 73.22 111.826 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -61.66 -44.54 96.77 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.951 0.501 . . . . 73.42 109.988 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -53.09 62.05 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.554 -0.748 . . . . 71.12 111.406 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -68.5 -30.88 69.8 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.008 -0.542 . . . . 75.55 111.341 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -64.38 -44.18 92.17 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.392 -0.595 . . . . 74.35 109.392 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -63.89 -55.49 22.29 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 115.991 -0.55 . . . . 75.23 110.508 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.92 28.79 0.16 Allowed Glycine 0 N--CA 1.427 -1.922 0 CA-C-N 115.15 -0.932 . . . . 40.51 111.873 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -99.0 138.78 35.61 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 105.913 -1.884 . . . . 74.22 105.913 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -90.13 87.25 6.79 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.181 0.515 . . . . 64.14 110.345 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.3 t -106.51 132.81 52.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 N-CA-C 109.206 -0.665 . . . . 73.32 109.206 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.1 t -66.71 161.27 23.86 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 123.141 0.577 . . . . 73.25 110.807 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.9 p -65.01 -45.55 85.05 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 109.403 -0.591 . . . . 74.24 109.403 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -135.92 155.23 50.6 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 115.393 -0.822 . . . . 75.31 109.566 173.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.11 -130.88 3.87 Favored Glycine 0 N--CA 1.43 -1.737 0 N-CA-C 109.387 -1.485 . . . . 50.33 109.387 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -109.55 137.81 46.84 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.347 -0.982 . . . . 71.01 108.347 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.2 mt -100.85 118.93 59.65 Favored Pre-proline 0 C--N 1.291 -1.974 0 N-CA-C 107.777 -1.194 . . . . 62.04 107.777 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.05 122.88 12.6 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.286 1.99 . . . . 70.01 112.003 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.84 -30.74 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.301 -0.863 . . . . 71.22 109.453 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.5 -38.18 90.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.883 -1.053 . . . . 74.21 110.659 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.76 -36.67 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 73.21 109.754 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.4 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.556 -0.747 . . . . 73.24 109.963 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.38 -39.56 94.1 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.384 -0.599 . . . . 51.33 109.384 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.58 93.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.729 -0.668 . . . . 74.45 110.22 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.408 ' CD1' HG12 ' A' ' 83' ' ' ILE . 85.0 t80 -60.63 -47.54 85.76 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.888 0.875 . . . . 64.31 110.402 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -74.55 -17.18 60.77 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.215 -0.902 . . . . 74.0 112.759 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.27 -37.01 12.28 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 111.883 0.327 . . . . 73.12 111.883 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.54 141.32 50.1 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 120.969 0.414 . . . . 72.12 111.407 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--N 1.294 -1.839 0 N-CA-C 108.309 -0.997 . . . . 72.31 108.309 177.435 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 107.117 -1.438 . . . . 74.33 107.117 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.6 m -72.64 89.68 1.33 Allowed 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.726 0.774 . . . . 72.31 111.509 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.86 79.96 1.0 Allowed Glycine 0 N--CA 1.419 -2.477 0 N-CA-C 109.835 -1.306 . . . . 64.03 109.835 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 m -69.28 111.65 5.33 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 108.906 -0.776 . . . . 74.31 108.906 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.4 160.3 28.25 Favored Glycine 0 N--CA 1.422 -2.278 0 N-CA-C 109.852 -1.299 . . . . 71.41 109.852 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.23 143.41 47.3 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.363 -0.977 . . . . 75.23 108.363 -178.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.51 81.13 0.35 Allowed Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 110.887 -0.885 . . . . 73.51 110.887 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -85.48 91.7 8.3 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.934 0.716 . . . . 75.01 112.934 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.76 -15.38 37.11 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 108.935 -1.666 . . . . 71.43 108.935 172.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.91 158.52 31.78 Favored 'General case' 0 N--CA 1.419 -1.976 0 N-CA-C 106.419 -1.697 . . . . 65.24 106.419 176.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.2 mt -92.57 129.91 42.45 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 N-CA-C 109.6 -0.518 . . . . 75.15 109.6 -176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -85.76 110.85 19.63 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.949 -0.569 . . . . 70.14 110.553 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -147.71 141.89 26.12 Favored 'General case' 0 CA--C 1.473 -2.014 0 N-CA-C 107.259 -1.385 . . . . 74.23 107.259 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 61.68 99.43 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.954 1.409 . . . . 74.15 111.309 172.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.58 ' O ' HG13 ' A' ' 83' ' ' ILE . 81.7 mt-30 -114.1 74.69 0.88 Allowed 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.627 -0.829 . . . . 64.14 111.479 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 60.5 m -60.64 -38.41 84.72 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 112.517 0.562 . . . . 74.2 112.517 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -67.84 -43.98 78.26 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 120.797 -0.361 . . . . 73.52 110.095 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.99 74.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 74.41 111.447 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 79' ' ' GLN . 75.0 mt -62.55 -46.72 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.471 -0.566 . . . . 64.4 109.471 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.509 ' HG3' ' O ' ' A' ' 80' ' ' SER . 51.6 mtt180 -61.35 -42.19 98.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.776 -0.647 . . . . 75.32 109.676 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 3.9 mm-40 -69.68 -38.03 76.88 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 115.655 -0.702 . . . . 62.41 111.142 -177.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.463 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 73.8 t90 -64.74 -42.25 95.34 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.748 0.785 . . . . 74.42 109.083 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.57 91.33 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.274 -0.875 . . . . 64.54 110.556 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.418 HH21 ' CD ' ' A' ' 85' ' ' GLU . 74.1 mtm180 -75.07 -32.12 61.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.768 0.318 . . . . 75.35 110.907 176.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.463 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 61.1 ttt180 -57.04 -43.32 81.86 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.187 1.395 . . . . 74.32 108.948 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -80.23 -57.51 3.58 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.85 -1.068 . . . . 74.32 110.44 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.97 48.78 0.32 Allowed Glycine 0 N--CA 1.435 -1.377 0 N-CA-C 110.473 -1.051 . . . . 75.14 110.473 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -94.21 166.56 12.05 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.553 -0.906 . . . . 73.33 108.553 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -77.78 90.53 4.05 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.132 0.492 . . . . 52.13 110.039 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.3 t -86.45 -54.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.806 -0.634 . . . . 74.14 110.061 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m 61.82 72.38 0.51 Allowed 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 124.175 0.922 . . . . 71.44 109.055 -173.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.4 p -57.35 97.96 0.03 OUTLIER 'General case' 0 C--O 1.247 0.938 0 CA-C-N 113.901 -1.499 . . . . 73.44 113.925 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.4 mtm-85 -148.05 -79.77 0.14 Allowed 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 124.823 1.249 . . . . 73.54 108.093 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.22 35.21 0.4 Allowed Glycine 0 N--CA 1.435 -1.391 0 C-N-CA 120.822 -0.704 . . . . 64.11 111.452 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.64 152.67 41.64 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 122.137 0.175 . . . . 74.25 110.619 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -144.31 132.08 10.65 Favored Pre-proline 0 C--N 1.308 -1.217 0 N-CA-C 107.474 -1.306 . . . . 73.45 107.474 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.95 129.64 35.62 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.981 1.787 . . . . 74.3 110.812 173.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.77 72.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.855 -0.611 . . . . 72.42 109.726 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.76 -37.58 88.08 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.041 -0.981 . . . . 51.42 110.029 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -68.78 -42.73 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 75.14 110.327 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.33 -49.89 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 64.11 110.349 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.78 -37.31 84.33 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.035 -0.53 . . . . 65.42 110.778 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.59 98.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.738 -0.664 . . . . 73.13 109.887 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.452 ' CD2' HG12 ' A' ' 83' ' ' ILE . 61.2 t80 -59.32 -45.21 91.97 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.632 0.773 . . . . 75.4 110.694 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -70.06 -24.23 63.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.983 -0.553 . . . . 74.33 112.264 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.23 -21.59 25.75 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.096 0.474 . . . . 71.3 110.708 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -88.7 157.33 18.57 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.542 0.687 . . . . 75.11 112.557 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--N 1.301 -1.509 0 N-CA-C 106.694 -1.595 . . . . 73.15 106.694 174.192 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 55.9 mtt . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 108.71 -0.848 . . . . 73.12 108.71 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.1 p -129.24 -43.54 1.3 Allowed 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 121.258 0.551 . . . . 74.32 110.067 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.22 -155.84 46.28 Favored Glycine 0 N--CA 1.425 -2.098 0 CA-C-N 115.173 -0.921 . . . . 44.14 110.816 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.7 p -119.75 144.72 47.12 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 108.893 -0.781 . . . . 74.34 108.893 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.23 -42.65 18.43 Favored Glycine 0 N--CA 1.436 -1.365 0 N-CA-C 107.524 -2.23 . . . . 74.54 107.524 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 56.67 93.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.603 1.561 . . . . 73.33 113.355 172.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 141.89 -82.89 0.22 Allowed Glycine 0 N--CA 1.428 -1.899 0 N-CA-C 109.227 -1.549 . . . . 44.33 109.227 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -77.88 -34.56 51.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.077 -0.712 . . . . 75.04 109.077 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.99 -142.29 10.7 Favored Glycine 0 N--CA 1.425 -2.062 0 N-CA-C 108.315 -1.914 . . . . 62.34 108.315 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.42 144.03 32.91 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.984 -0.747 . . . . 75.01 108.984 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.5 mt -85.41 116.03 28.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.298 -1.371 . . . . 73.31 107.298 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.519 ' CG ' ' H ' ' A' ' 77' ' ' ARG . 14.4 t70 -112.41 -166.84 1.11 Allowed 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.257 -174.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.519 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 37.5 mtt180 -95.58 -170.72 2.21 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 123.926 0.89 . . . . 63.51 111.463 -173.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -111.53 132.94 54.16 Favored 'General case' 0 N--CA 1.398 -3.046 0 CA-C-N 114.068 -1.424 . . . . 74.14 107.792 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -88.8 56.22 3.66 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.905 0.859 . . . . 74.43 110.109 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -51.34 -45.04 62.2 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 126.083 1.753 . . . . 70.43 112.404 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.485 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -56.83 -46.6 81.57 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.783 0.433 . . . . 72.02 111.148 178.595 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.76 76.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.565 . . . . 72.34 110.64 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.75 -39.91 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.848 -0.615 . . . . 63.04 109.569 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.13 -38.37 78.8 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.913 0.387 . . . . 74.41 109.959 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 30.6 mm-40 -64.05 -44.2 93.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.914 -0.585 . . . . 64.1 110.019 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.78 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.585 0.754 . . . . 73.31 110.152 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.43 85.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.073 -0.512 . . . . 75.4 110.574 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -70.54 -31.34 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.95 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.09 -39.56 92.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.898 -0.778 . . . . 73.31 108.898 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -76.03 -55.4 5.63 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.88 -0.6 . . . . 65.53 110.629 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.79 26.95 0.56 Allowed Glycine 0 C--N 1.299 -1.488 0 C-N-CA 120.648 -0.787 . . . . 71.24 111.92 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -89.93 141.5 28.6 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 105.584 -2.006 . . . . 75.04 105.584 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.87 59.46 4.85 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 122.077 0.941 . . . . 65.2 112.206 -174.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.7 t -95.42 116.73 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 N-CA-C 106.427 -1.694 . . . . 73.25 106.427 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.3 t -100.54 177.4 5.03 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 121.17 0.509 . . . . 62.52 110.881 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.2 p -74.07 -44.35 54.4 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 124.146 0.978 . . . . 63.22 108.893 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.65 94.67 9.14 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.929 -1.138 . . . . 74.44 107.929 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.5 174.96 27.88 Favored Glycine 0 N--CA 1.425 -2.078 0 C-N-CA 120.775 -0.726 . . . . 72.24 111.323 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 100' ' ' ILE . 8.7 ttm180 -85.81 151.13 24.06 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 123.456 0.702 . . . . 72.22 109.802 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.461 ' N ' ' HG2' ' A' ' 99' ' ' ARG . 68.7 mt -87.61 118.03 69.28 Favored Pre-proline 0 C--N 1.304 -1.381 0 N-CA-C 107.343 -1.354 . . . . 75.42 107.343 170.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.23 129.48 31.73 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.106 1.871 . . . . 75.01 111.904 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.17 -33.15 68.91 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 123.502 0.721 . . . . 43.33 109.777 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.97 -40.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.361 -0.836 . . . . 73.41 109.47 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.55 -40.67 82.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.51 -0.768 . . . . 64.41 110.501 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.414 ' O ' ' HD2' ' A' ' 109' ' ' HIS . 71.3 mt -60.79 -48.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.914 0.387 . . . . 73.01 110.241 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.08 -38.48 88.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.338 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.8 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.015 -0.538 . . . . 62.22 109.897 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.59 -48.04 80.48 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.762 0.825 . . . . 73.14 110.729 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . 0.414 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 70.0 m-70 -71.56 -26.16 62.51 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 112.808 0.669 . . . . 72.33 112.808 -178.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -90.78 -29.04 17.84 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.899 0.703 . . . . 55.2 112.899 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.91 135.94 33.13 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.083 0.468 . . . . 63.53 111.446 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--N 1.31 -1.151 0 CA-C-N 115.918 -0.583 . . . . 74.25 109.802 179.259 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.51 -0.576 0 N-CA-C 108.18 -1.044 . . . . 74.23 108.18 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -76.57 138.72 40.35 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 110.012 -0.366 . . . . 71.32 110.012 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.2 34.63 2.11 Favored Glycine 0 N--CA 1.436 -1.34 0 C-N-CA 121.039 -0.601 . . . . 74.31 111.604 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.9 m -137.16 98.85 3.84 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.654 -0.499 . . . . 74.3 109.654 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.39 80.35 1.79 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.203 -0.523 . . . . 53.53 113.686 -176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.6 105.36 2.98 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.491 -0.559 . . . . 74.33 109.491 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -123.81 7.04 8.9 Favored Glycine 0 C--N 1.312 -0.753 0 N-CA-C 111.409 -0.676 . . . . 61.04 111.409 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -122.42 -172.8 2.54 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.446 -0.576 . . . . 74.22 109.446 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.49 50.01 2.45 Favored Glycine 0 N--CA 1.426 -2.008 0 N-CA-C 108.407 -1.877 . . . . 75.54 108.407 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.47 155.34 26.58 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 108.921 -0.77 . . . . 53.23 108.921 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.0 mm -101.9 158.84 4.32 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.529 0 N-CA-C 109.01 -0.737 . . . . 61.32 109.01 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.89 131.72 38.73 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.054 0.454 . . . . 73.22 110.24 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 179.79 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 105.588 -2.005 . . . . 74.35 105.588 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -133.3 110.64 10.21 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 114.231 -1.349 . . . . 71.43 108.232 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -112.15 77.82 1.07 Allowed 'General case' 0 C--N 1.291 -1.975 0 CA-C-O 122.119 0.962 . . . . 74.43 109.961 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 p -68.65 -33.89 74.78 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 113.815 -1.538 . . . . 55.21 111.6 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -64.99 -42.67 94.31 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 109.62 -0.511 . . . . 74.11 109.62 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.91 97.05 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.181 0.515 . . . . 73.51 110.74 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.71 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.51 -0.768 . . . . 73.12 109.75 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.34 -35.62 78.04 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.446 -0.343 . . . . 75.42 111.327 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 8.9 mm-40 -62.84 -45.98 90.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.064 0.459 . . . . 64.32 110.288 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -64.64 -41.15 96.35 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-O 121.586 0.708 . . . . 74.12 109.686 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.68 93.66 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.163 -0.926 . . . . 73.42 110.605 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -68.58 -31.42 70.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.699 0.259 . . . . 75.34 111.699 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -61.07 -45.51 94.43 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.383 -0.599 . . . . 74.02 109.383 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -73.09 -35.36 66.6 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.382 -0.826 . . . . 75.54 111.176 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.03 31.08 5.49 Favored Glycine 0 N--CA 1.425 -2.079 0 C-N-CA 120.968 -0.634 . . . . 73.15 111.63 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -82.42 149.83 27.43 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.321 -1.362 . . . . 72.33 107.321 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -78.43 72.82 4.98 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 112.164 0.431 . . . . 73.13 112.164 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.6 t -134.44 10.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 106.829 -1.545 . . . . 71.4 106.829 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -60.86 -72.31 0.12 Allowed 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.07 -1.423 . . . . 74.32 112.952 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 p -96.69 -2.87 43.65 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.733 -0.605 . . . . 73.21 112.182 -177.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -110.9 115.13 28.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.587 -0.894 . . . . 73.12 108.587 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.05 1.61 73.93 Favored Glycine 0 C--O 1.24 0.522 0 N-CA-C 116.198 1.239 . . . . 74.22 116.198 -170.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' HD3' ' C ' ' A' ' 99' ' ' ARG . 1.9 tmt_? -87.48 110.4 20.28 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.558 -1.275 . . . . 74.4 107.558 176.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -87.34 126.12 63.47 Favored Pre-proline 0 C--N 1.3 -1.576 0 N-CA-C 109.99 -0.374 . . . . 75.55 109.99 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.76 132.53 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.508 2.139 . . . . 75.13 111.07 172.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.69 71.63 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.688 -0.856 . . . . 55.5 108.688 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.05 -43.22 91.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.405 -1.271 . . . . 72.35 109.581 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.59 -40.35 81.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.858 -0.61 . . . . 73.34 110.157 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.26 -44.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.044 -0.525 . . . . 64.52 110.262 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.27 -40.83 96.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.123 -0.489 . . . . 75.34 110.055 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 74.24 110.453 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.19 -42.49 99.33 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 124.056 0.942 . . . . 72.23 110.938 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -75.32 -27.08 59.12 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.87 -0.605 . . . . 74.22 112.32 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.54 -36.75 28.75 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.472 -0.331 . . . . 75.43 111.384 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.48 109.65 10.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.404 0.621 . . . . 62.5 110.977 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--N 1.3 -1.562 0 CA-C-N 115.895 -0.593 . . . . 75.5 110.107 -179.247 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.699 0 N-CA-C 109.317 -0.623 . . . . 74.22 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 m -121.5 147.93 45.13 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 110.145 -0.317 . . . . 63.12 110.145 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.45 -162.28 18.44 Favored Glycine 0 N--CA 1.434 -1.499 0 N-CA-C 111.189 -0.764 . . . . 60.34 111.189 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.9 p -119.38 171.38 8.37 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.847 -0.427 . . . . 62.13 109.847 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.33 125.07 3.9 Favored Glycine 0 N--CA 1.432 -1.567 0 N-CA-C 110.605 -0.998 . . . . 64.11 110.605 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -130.89 157.33 43.21 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.094 -0.706 . . . . 63.53 109.094 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.45 -29.88 0.95 Allowed Glycine 0 CA--C 1.496 -1.125 0 C-N-CA 120.013 -1.089 . . . . 65.24 112.619 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 99.1 mtt180 63.66 -86.56 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.697 1.199 . . . . 75.41 111.644 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.67 111.58 3.59 Favored Glycine 0 N--CA 1.42 -2.392 0 C-N-CA 120.603 -0.808 . . . . 73.05 111.506 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.62 109.22 21.88 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 105.64 -1.985 . . . . 72.11 105.64 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.3 mt -115.25 107.51 22.96 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.571 0 N-CA-C 108.686 -0.857 . . . . 74.24 108.686 -174.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.539 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 24.7 t70 -94.72 101.78 13.63 Favored 'General case' 0 C--N 1.277 -2.563 0 CA-C-O 121.83 0.824 . . . . 54.22 111.336 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.539 ' HD2' ' O ' ' A' ' 76' ' ' ASP . 2.1 mpt_? -123.98 159.89 28.79 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 107.263 -1.384 . . . . 75.44 107.263 174.326 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.1 -48.79 74.77 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.277 -1.379 . . . . 74.55 107.277 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -115.37 93.68 4.39 Favored 'General case' 0 N--CA 1.42 -1.932 0 CA-C-N 115.085 -0.961 . . . . 73.24 110.302 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.3 p -114.0 -34.09 5.52 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.205 0.526 . . . . 74.32 110.316 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.18 72.23 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.825 -0.806 . . . . 62.42 108.825 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.54 71.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.537 -0.756 . . . . 70.33 110.759 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 108' ' ' TYR . 60.4 mt -69.95 -43.76 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.754 -0.832 . . . . 73.25 108.754 177.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.59 -39.61 80.85 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.822 -0.627 . . . . 74.52 110.362 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 22.9 mm-40 -60.61 -58.39 8.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.439 -0.8 . . . . 65.23 110.059 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -53.94 -41.45 67.75 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.977 0.911 . . . . 72.54 110.916 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.01 75.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 73.44 110.585 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.02 -24.81 62.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.601 0.223 . . . . 72.1 111.601 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.555 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 83.1 mtt180 -67.52 -43.12 81.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.648 -0.501 . . . . 75.41 109.648 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -74.97 -46.24 36.7 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.866 -0.606 . . . . 65.35 110.968 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.49 34.38 0.87 Allowed Glycine 0 N--CA 1.432 -1.596 0 CA-C-N 115.692 -0.686 . . . . 53.44 111.912 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -98.63 142.77 29.78 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 106.641 -1.615 . . . . 75.03 106.641 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -93.17 114.35 26.82 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 112.799 0.666 . . . . 74.4 112.799 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.82 144.37 9.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 106.746 -1.575 . . . . 75.14 106.746 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.7 m -68.57 111.02 4.5 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 110.523 -0.177 . . . . 75.21 110.523 -178.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.8 p -68.8 -22.63 64.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.554 0.692 . . . . 75.22 110.782 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -71.19 -14.56 62.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.974 -1.012 . . . . 75.41 110.185 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 72' ' ' ARG . . . 110.93 96.5 2.36 Favored Glycine 0 N--CA 1.43 -1.765 0 CA-C-N 115.878 -0.601 . . . . 74.4 111.611 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 173.48 127.15 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.007 1.323 . . . . 73.43 108.018 174.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -103.73 116.59 61.56 Favored Pre-proline 0 C--N 1.3 -1.578 0 N-CA-C 107.186 -1.412 . . . . 62.44 107.186 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.81 123.29 13.2 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 121.822 1.681 . . . . 74.23 111.773 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.57 72.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.357 -0.838 . . . . 75.13 109.527 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -41.83 91.07 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.185 -0.916 . . . . 73.41 109.428 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.28 -40.32 82.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 115.655 -0.702 . . . . 63.43 110.437 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.36 -47.33 92.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.266 -0.425 . . . . 75.11 110.597 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.56 -43.7 93.07 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.304 -0.407 . . . . 70.2 110.134 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.89 89.2 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.516 0.51 . . . . 51.33 110.624 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.412 ' CD2' HG12 ' A' ' 83' ' ' ILE . 86.6 t80 -61.52 -42.14 98.36 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.343 0.657 . . . . 71.24 111.028 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -76.19 -27.77 57.02 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.472 0.545 . . . . 71.32 112.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.72 -36.75 23.46 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 111.985 0.365 . . . . 62.2 111.985 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.05 141.58 28.56 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.204 0.526 . . . . 53.35 111.04 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--N 1.292 -1.919 0 N-CA-C 108.026 -1.101 . . . . 75.4 108.026 178.68 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 59.2 mtt . . . . . 0 CA--C 1.516 -0.357 0 N-CA-C 108.665 -0.865 . . . . 75.23 108.665 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.5 m 70.54 96.9 0.07 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.533 1.133 . . . . 52.45 112.122 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.83 -111.02 3.22 Favored Glycine 0 N--CA 1.435 -1.376 0 N-CA-C 111.141 -0.784 . . . . 74.33 111.141 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m -90.3 109.63 20.72 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 109.271 -0.64 . . . . 74.0 109.271 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.38 46.47 0.14 Allowed Glycine 0 C--N 1.314 -0.646 0 C-N-CA 120.363 -0.922 . . . . 72.32 112.479 -177.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -126.52 30.73 5.49 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.192 0.52 . . . . 72.44 109.742 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.05 88.34 1.58 Allowed Glycine 0 N--CA 1.429 -1.796 0 N-CA-C 109.188 -1.565 . . . . 54.42 109.188 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -108.06 -14.41 14.74 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.205 0.526 . . . . 73.22 111.301 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.93 66.03 2.55 Favored Glycine 0 N--CA 1.438 -1.22 0 C-N-CA 120.507 -0.854 . . . . 75.43 113.956 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.93 30.03 4.27 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 122.332 1.063 . . . . 72.12 110.066 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 mm -74.56 157.09 6.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 CA-C-N 113.544 -1.662 . . . . 74.24 107.291 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.51 134.85 57.06 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.349 -0.611 . . . . 65.25 109.349 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -111.11 151.77 27.73 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 114.672 1.36 . . . . 74.12 114.672 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -50.3 -60.01 3.4 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.159 -1.837 . . . . 61.21 109.656 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -86.4 105.55 16.8 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 107.741 -1.207 . . . . 74.31 107.741 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.28 -29.94 1.98 Allowed 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 116.449 -0.341 . . . . 75.03 111.316 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . -69.86 -39.31 76.42 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.348 0.594 . . . . 60.32 109.454 177.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.2 71.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.803 -1.09 . . . . 61.43 110.034 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.26 -43.9 84.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.427 -0.583 . . . . 72.1 109.427 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 42.7 mtp180 -58.47 -46.96 85.57 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.271 0.557 . . . . 72.34 110.375 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.1 -40.87 86.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.489 -0.778 . . . . 74.31 110.959 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.83 -42.71 99.37 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.783 0.801 . . . . 71.14 109.34 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.86 95.63 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.022 -0.99 . . . . 62.35 110.852 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 41.8 mtm105 -70.49 -33.13 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.337 0.589 . . . . 74.54 110.373 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -65.97 -34.47 78.18 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.171 0.986 . . . . 74.42 109.096 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -94.48 -27.85 15.77 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 114.331 -1.304 . . . . 72.43 112.538 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.2 48.23 4.4 Favored Glycine 0 N--CA 1.431 -1.659 0 C-N-CA 120.923 -0.656 . . . . 65.21 111.712 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -94.75 161.29 14.24 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.634 -1.617 . . . . 74.12 106.634 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -79.85 88.5 5.26 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.087 -0.645 . . . . 74.43 111.505 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.8 t -132.48 128.62 58.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.096 -1.076 . . . . 71.22 108.096 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.3 m -79.55 153.05 29.78 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 116.031 -0.531 . . . . 71.42 109.959 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 p -68.81 -30.29 68.83 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 111.791 0.293 . . . . 64.22 111.791 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -120.41 145.12 47.5 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.748 -1.204 . . . . 73.33 107.748 175.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.88 -143.88 15.68 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 119.866 -1.159 . . . . 75.13 113.14 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -104.92 165.58 10.97 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 123.963 0.905 . . . . 73.34 109.27 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.8 mm -105.65 124.24 36.83 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 109.686 -0.487 . . . . 72.43 109.686 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.47 ' O ' HG13 ' A' ' 105' ' ' ILE . 32.4 Cg_exo -61.93 124.38 14.36 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.625 2.217 . . . . 75.33 112.189 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.2 -28.47 69.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.789 0.836 . . . . 63.13 110.29 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -46.28 89.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 108.545 -0.909 . . . . 63.42 108.545 174.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.97 -38.39 81.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.006 0 CA-C-N 114.624 -1.171 . . . . 70.3 110.501 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 101' ' ' PRO . 60.8 mt -62.52 -47.56 92.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.254 -0.43 . . . . 75.04 111.719 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.2 -36.63 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.783 -0.767 . . . . 75.0 109.948 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.44 99.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 73.33 109.89 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.29 -47.81 83.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 123.812 0.845 . . . . 75.4 110.797 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -71.34 -28.0 63.77 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 113.119 0.785 . . . . 71.42 113.119 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.86 -36.91 27.72 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.734 -0.386 . . . . 72.34 111.456 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.88 108.29 19.75 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.183 0.516 . . . . 53.33 112.363 -176.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 CA--C 1.487 -1.444 0 C-N-CA 125.138 1.375 . . . . 75.43 107.297 178.489 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.208 0.528 . . . . 73.11 109.594 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 15.4 m -102.51 153.74 19.78 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.334 -0.394 . . . . 74.22 110.272 -176.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.6 -128.68 5.06 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 108.693 -1.763 . . . . 33.22 108.693 174.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -89.16 86.55 6.9 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.565 -1.272 . . . . 62.54 107.565 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 66' ' ' SER . . . 112.94 -128.63 8.51 Favored Glycine 0 N--CA 1.428 -1.855 0 N-CA-C 108.213 -1.955 . . . . 63.33 108.213 -173.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -87.74 -28.87 21.47 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 117.797 0.798 . . . . 73.14 109.597 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 156.18 -126.13 1.75 Allowed Glycine 0 N--CA 1.424 -2.1 0 N-CA-C 109.476 -1.45 . . . . 75.03 109.476 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -126.72 -41.86 1.81 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 117.555 0.678 . . . . 74.51 111.077 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.46 -120.27 8.23 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.981 -0.628 . . . . 54.54 112.208 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -127.96 -178.2 4.42 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.082 -0.71 . . . . 65.32 109.082 -176.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.13 141.45 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 N-CA-C 107.734 -1.21 . . . . 74.12 107.734 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -122.39 149.2 44.14 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 109.743 -0.466 . . . . 74.1 109.743 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 74.08 -54.15 0.68 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.812 1.645 . . . . 72.13 111.43 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -94.27 110.15 21.92 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.025 -0.732 . . . . 63.21 109.025 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.507 ' O ' HG13 ' A' ' 83' ' ' ILE . 28.6 mm-40 -108.18 77.16 1.08 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.284 0.564 . . . . 73.33 110.103 176.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.461 ' HG ' ' NH2' ' A' ' 99' ' ' ARG . 44.4 m -60.94 -31.67 71.21 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 114.869 -1.059 . . . . 63.34 112.346 -176.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.483 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -63.56 -51.62 64.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.833 -0.432 . . . . 74.02 109.833 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.65 94.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.405 -0.816 . . . . 74.03 110.644 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.3 mt -61.94 -43.98 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.953 -0.567 . . . . 74.11 109.857 177.564 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -59.42 -46.18 89.44 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.616 -0.265 . . . . 72.22 111.362 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 14.3 mm-40 -63.31 -41.58 98.96 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.52 -0.309 . . . . 73.54 111.403 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.479 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 78.4 t90 -66.66 -41.0 88.87 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-O 121.775 0.798 . . . . 65.25 110.21 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.25 91.37 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.135 -0.938 . . . . 72.12 110.499 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -69.77 -31.84 70.0 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.287 -0.415 . . . . 73.54 110.7 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.479 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 29.9 ttt180 -56.88 -45.63 82.39 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.775 -0.824 . . . . 71.33 108.775 174.242 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -71.97 -46.03 58.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.089 -0.959 . . . . 62.42 110.541 176.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.45 28.56 1.92 Allowed Glycine 0 N--CA 1.431 -1.692 0 CA-C-N 115.75 -0.659 . . . . 74.13 112.4 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -89.25 137.35 32.4 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 106.84 -1.541 . . . . 54.41 106.84 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -86.98 104.96 16.79 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 121.795 0.807 . . . . 71.44 109.836 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.4 t -111.5 139.24 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-N 114.559 -1.201 . . . . 75.1 111.457 -174.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.1 m 75.72 12.6 3.0 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 124.945 1.298 . . . . 72.24 111.962 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.2 p -89.16 88.79 7.68 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 107.493 -1.299 . . . . 64.4 107.493 173.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.13 81.14 0.21 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.443 -0.799 . . . . 75.53 110.197 -170.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.18 -169.99 32.09 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 110.32 -1.112 . . . . 64.42 110.32 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.461 ' NH2' ' HG ' ' A' ' 80' ' ' SER . 0.0 OUTLIER -103.45 -84.65 0.47 Allowed 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.836 -1.542 . . . . 75.45 106.836 178.532 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.408 HG12 ' CD ' ' A' ' 99' ' ' ARG . 40.1 mm -148.38 120.02 4.4 Favored Pre-proline 0 C--N 1.285 -2.213 0 N-CA-C 105.584 -2.006 . . . . 72.31 105.584 176.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.435 ' O ' HG13 ' A' ' 105' ' ' ILE . 51.9 Cg_exo -54.49 123.42 13.6 Favored 'Trans proline' 0 CA--C 1.515 -0.439 0 C-N-CA 122.186 1.924 . . . . 64.35 111.883 178.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.38 -34.17 73.51 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.747 -0.66 . . . . 72.33 109.925 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -58.75 -43.54 90.31 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 115.283 -0.871 . . . . 63.43 109.932 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.22 -40.7 87.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-N 115.324 -0.853 . . . . 75.01 110.352 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 101' ' ' PRO . 67.0 mt -61.17 -48.11 90.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.784 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.627 -0.509 . . . . 72.2 109.627 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.37 95.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 72.21 110.547 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -58.92 -42.41 89.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 123.704 0.802 . . . . 74.24 110.724 177.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -75.24 -35.02 61.47 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.479 -0.782 . . . . 60.43 112.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.0 -37.2 61.89 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 111.788 0.292 . . . . 75.54 111.788 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.57 114.35 16.33 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.125 0.488 . . . . 63.04 111.55 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.302 -1.491 0 N-CA-C 108.52 -0.918 . . . . 73.42 108.52 175.07 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 CA--C 1.503 -0.856 0 N-CA-C 109.213 -0.662 . . . . 64.24 109.213 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.2 m -116.14 138.96 50.8 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 116.448 -0.342 . . . . 73.23 110.265 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -172.1 176.82 45.06 Favored Glycine 0 N--CA 1.433 -1.514 0 N-CA-C 109.119 -1.592 . . . . 65.02 109.119 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.3 p -104.23 -67.27 0.91 Allowed 'General case' 0 N--CA 1.421 -1.882 0 CA-C-O 121.444 0.64 . . . . 73.23 109.803 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.4 121.21 3.89 Favored Glycine 0 N--CA 1.423 -2.202 0 N-CA-C 110.452 -1.059 . . . . 70.5 110.452 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -82.83 88.3 6.79 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 122.534 1.159 . . . . 74.12 111.747 -176.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -165.89 164.84 37.7 Favored Glycine 0 N--CA 1.417 -2.585 0 N-CA-C 107.448 -2.261 . . . . 75.21 107.448 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.422 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 2.0 mmp_? -112.14 103.98 12.18 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 118.151 0.975 . . . . 74.42 110.032 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.44 11.23 6.08 Favored Glycine 0 C--N 1.307 -1.048 0 C-N-CA 121.007 -0.616 . . . . 72.01 112.277 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.57 96.14 7.17 Favored 'General case' 0 N--CA 1.423 -1.825 0 N-CA-C 107.799 -1.185 . . . . 74.15 107.799 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mm -70.77 118.38 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 CA-C-O 121.967 0.889 . . . . 73.25 109.518 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -86.35 116.22 24.37 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 114.004 -1.453 . . . . 75.43 109.924 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -142.27 176.12 9.23 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 105.072 -2.196 . . . . 74.14 105.072 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -63.01 -55.61 24.18 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 118.206 0.457 . . . . 74.33 109.907 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -88.04 92.27 9.08 Favored 'General case' 0 N--CA 1.436 -1.125 0 C-N-CA 119.353 -0.939 . . . . 74.31 109.436 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.4 p -141.55 -56.41 0.48 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.643 -0.708 . . . . 61.41 109.953 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.16 84.24 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.143 0.497 . . . . 65.33 110.31 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.78 83.63 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.117 -0.947 . . . . 63.13 110.526 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -66.52 -38.72 82.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 109.113 -0.699 . . . . 73.45 109.113 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.503 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 53.5 mtp180 -62.08 -44.92 95.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.731 . . . . 73.2 109.386 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.2 -44.08 76.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 75.24 110.999 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -59.0 -40.8 86.02 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.417 0.627 . . . . 75.35 109.877 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.61 75.01 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.581 -0.736 . . . . 63.24 110.051 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 17.1 mtm180 -63.04 -37.78 88.54 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 110.11 -0.33 . . . . 70.21 110.11 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.9 -45.52 82.55 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.012 0.925 . . . . 73.11 109.788 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -77.51 -21.44 52.73 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.46 -0.791 . . . . 74.52 111.926 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.48 28.09 7.73 Favored Glycine 0 C--N 1.303 -1.259 0 C-N-CA 120.624 -0.798 . . . . 65.04 111.819 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -89.69 142.5 27.63 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.073 -1.455 . . . . 74.14 107.073 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -88.03 78.48 8.19 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.796 0.807 . . . . 73.12 109.882 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.7 t -109.92 147.36 14.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-N 114.678 -1.146 . . . . 71.05 108.906 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 t 76.06 19.88 1.76 Allowed 'General case' 0 C--O 1.242 0.69 0 C-N-CA 124.464 1.106 . . . . 73.51 111.211 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.6 p -75.12 -43.95 49.9 Favored 'General case' 0 N--CA 1.423 -1.805 0 CA-C-N 114.855 -1.066 . . . . 70.44 108.906 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -97.78 -6.29 33.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.356 -0.838 . . . . 73.32 110.018 174.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.84 32.28 13.27 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.145 -0.934 . . . . 74.02 112.164 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -134.94 154.66 51.61 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 108.096 -1.076 . . . . 75.02 108.096 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -108.98 115.17 57.48 Favored Pre-proline 0 N--CA 1.437 -1.077 0 N-CA-C 109.668 -0.493 . . . . 74.54 109.668 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -57.35 128.4 29.4 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.027 2.485 . . . . 74.43 112.305 175.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.43 71.55 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.133 -0.939 . . . . 72.22 109.653 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.33 -42.32 95.38 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.505 -1.294 . . . . 70.4 107.505 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.21 -41.08 83.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 114.736 -1.12 . . . . 71.34 110.571 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.69 -43.76 95.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.842 0.353 . . . . 72.42 110.573 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.774 -0.371 . . . . 75.02 110.237 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.13 98.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.051 -0.522 . . . . 75.5 110.166 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.94 -40.45 93.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.83 0.852 . . . . 75.14 110.862 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -78.69 -26.25 44.88 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 112.732 0.642 . . . . 73.44 112.732 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.84 -33.96 30.41 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.019 0.438 . . . . 72.34 111.609 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.07 143.79 26.33 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 116.513 -0.312 . . . . 72.42 111.44 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 C--N 1.301 -1.537 0 N-CA-C 108.066 -1.087 . . . . 65.12 108.066 176.59 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 107.965 -1.124 . . . . 64.52 107.965 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -60.44 99.69 0.08 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 122.988 0.515 . . . . 64.11 111.493 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.74 66.76 0.2 Allowed Glycine 0 N--CA 1.429 -1.826 0 N-CA-C 109.017 -1.633 . . . . 71.53 109.017 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 m -132.37 114.52 14.47 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.163 0.506 . . . . 64.41 110.122 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.19 48.71 1.04 Allowed Glycine 0 N--CA 1.425 -2.068 0 CA-C-N 115.562 -0.745 . . . . 71.31 112.008 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.19 106.51 18.85 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.62 -0.882 . . . . 75.54 108.62 176.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 149.44 167.22 13.86 Favored Glycine 0 N--CA 1.417 -2.572 0 C-N-CA 119.333 -1.413 . . . . 74.12 112.716 176.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -89.48 -42.54 11.42 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 107.917 -1.142 . . . . 73.14 107.917 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.92 154.56 22.79 Favored Glycine 0 N--CA 1.416 -2.666 0 N-CA-C 109.149 -1.58 . . . . 55.43 109.149 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.34 178.11 8.86 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.188 -1.412 . . . . 71.14 107.188 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 75' ' ' ILE . 3.5 mp -69.08 120.83 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 108.516 -0.92 . . . . 75.21 108.516 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.43 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 32.2 t70 -84.72 86.55 7.32 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 114.36 1.244 . . . . 71.33 114.36 -170.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.43 ' HD2' ' C ' ' A' ' 76' ' ' ASP . 3.6 mpt_? -138.1 -60.84 0.62 Allowed 'General case' 0 C--N 1.283 -2.326 0 N-CA-C 102.27 -3.233 . . . . 61.24 102.27 168.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -129.55 95.59 4.04 Favored 'General case' 0 N--CA 1.408 -2.546 0 CA-C-N 112.808 -1.996 . . . . 72.51 107.331 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.44 ' O ' HG13 ' A' ' 83' ' ' ILE . 50.4 mt-30 -98.76 100.56 11.79 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.377 -0.971 . . . . 72.54 108.377 174.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.57 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 21.7 p -50.87 -42.8 59.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.835 0.71 . . . . 64.03 112.272 -176.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.551 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -58.36 -54.8 42.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 72.35 110.911 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.58 81.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 53.25 111.041 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 79' ' ' GLN . 83.7 mt -63.81 -39.53 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.545 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 80' ' ' SER . 13.6 mtm180 -63.7 -47.61 80.46 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.661 -0.866 . . . . 74.25 108.661 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 38.4 mm-40 -60.76 -45.84 92.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.02 -0.991 . . . . 73.34 109.966 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -58.36 -46.18 86.79 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.514 0.726 . . . . 71.01 110.12 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.61 98.63 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.512 -0.767 . . . . 74.44 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.434 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 26.4 mtp180 -68.46 -35.72 77.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.675 0.274 . . . . 73.44 110.303 178.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.44 -37.74 81.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.741 0.816 . . . . 74.43 110.077 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -82.47 -39.18 22.87 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.988 -0.551 . . . . 61.45 111.144 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.36 44.71 1.14 Allowed Glycine 0 N--CA 1.434 -1.463 0 N-CA-C 110.806 -0.918 . . . . 55.01 110.806 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -101.44 163.77 12.1 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 108.648 -0.871 . . . . 75.2 108.648 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -93.84 104.52 16.59 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.812 -0.81 . . . . 74.22 108.812 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.6 t -84.55 -46.68 17.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 107.694 -1.224 . . . . 74.41 107.694 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.436 ' C ' ' H ' ' A' ' 97' ' ' ARG . 29.6 t 66.5 95.96 0.06 Allowed 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.824 -1.534 . . . . 71.24 110.378 -176.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.8 p -81.79 23.49 0.67 Allowed 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 121.823 0.82 . . . . 71.15 111.053 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.436 ' H ' ' C ' ' A' ' 95' ' ' SER . 6.4 mpt_? -110.86 17.75 20.23 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 107.867 -1.16 . . . . 75.44 107.867 174.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.27 -141.52 3.24 Favored Glycine 0 N--CA 1.43 -1.765 0 N-CA-C 108.66 -1.776 . . . . 63.34 108.66 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -112.59 -159.99 0.7 Allowed 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.207 -0.664 . . . . 73.25 109.207 175.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mm -87.17 129.74 50.59 Favored Pre-proline 0 C--N 1.309 -1.177 0 N-CA-C 109.343 -0.614 . . . . 74.3 109.343 -178.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.22 123.55 13.06 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.527 2.151 . . . . 72.02 111.571 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.79 -38.82 76.15 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.271 1.028 . . . . 64.14 110.954 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.82 -33.39 75.75 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.033 -0.53 . . . . 63.25 109.844 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 t -70.56 -38.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 116.021 -0.536 . . . . 74.15 110.39 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.78 -46.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.196 0.522 . . . . 75.04 109.656 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.81 -43.1 97.27 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.393 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.82 -0.627 . . . . 74.42 110.286 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -56.08 -51.24 68.59 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.045 0.938 . . . . 65.03 110.399 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -65.95 -31.36 72.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.263 -0.88 . . . . 75.44 112.378 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.28 -19.37 31.66 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 120.683 0.277 . . . . 71.11 111.48 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.1 109.39 8.54 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.409 0.623 . . . . 70.11 111.964 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.291 -1.973 0 N-CA-C 106.543 -1.651 . . . . 61.42 106.543 175.869 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.471 0.575 0 CA-C-O 120.597 0.237 . . . . 74.42 110.603 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.3 p -77.51 171.28 15.15 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 110.36 -0.237 . . . . 55.03 110.36 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.18 -106.97 2.3 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.778 -1.329 . . . . 62.5 109.778 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.2 m -99.55 106.39 18.38 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 108.043 -1.095 . . . . 73.13 108.043 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.43 -56.41 11.87 Favored Glycine 0 CA--C 1.498 -0.994 0 N-CA-C 110.547 -1.021 . . . . 53.21 110.547 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -154.62 145.15 22.22 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.928 -0.767 . . . . 74.31 108.928 173.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -149.64 141.55 8.97 Favored Glycine 0 N--CA 1.415 -2.747 0 N-CA-C 110.238 -1.145 . . . . 75.41 110.238 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -84.64 -37.34 21.17 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.865 -1.161 . . . . 75.32 107.865 177.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.84 -89.5 0.39 Allowed Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 114.814 -1.085 . . . . 71.5 111.86 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.82 177.92 6.87 Favored 'General case' 0 N--CA 1.423 -1.78 0 N-CA-C 107.658 -1.238 . . . . 73.41 107.658 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.9 mt -105.75 148.96 9.57 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 N-CA-C 106.647 -1.612 . . . . 75.11 106.647 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.21 66.03 5.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.928 1.347 . . . . 64.42 111.23 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -126.65 -24.72 3.52 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 112.907 -1.952 . . . . 73.14 108.164 177.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -132.48 139.55 48.0 Favored 'General case' 0 N--CA 1.41 -2.444 0 N-CA-C 106.031 -1.84 . . . . 74.41 106.031 -173.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.42 ' O ' HG13 ' A' ' 83' ' ' ILE . 84.3 mm-40 -68.74 85.22 0.31 Allowed 'General case' 0 C--N 1.311 -1.093 0 O-C-N 123.834 0.709 . . . . 73.03 112.775 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -99.13 -26.72 14.11 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 115.127 -0.942 . . . . 64.32 109.039 176.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.71 84.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.459 -0.791 . . . . 75.1 109.027 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.704 -0.68 . . . . 73.33 110.322 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.1 mt -63.78 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.414 -0.587 . . . . 71.14 109.414 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.45 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 37.6 mtp180 -61.66 -44.24 97.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.593 -0.276 . . . . 64.24 110.723 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 46.6 mt-10 -62.03 -46.85 87.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 72.25 110.196 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.11 -42.07 89.69 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 123.539 0.736 . . . . 71.53 110.044 175.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.8 71.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.537 -0.756 . . . . 62.13 111.069 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.45 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 75.8 mtp180 -75.47 -34.52 60.91 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.097 0.559 . . . . 75.05 110.904 176.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.543 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 85.7 mtt180 -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.31 0.576 . . . . 72.34 109.587 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -82.61 -39.44 22.18 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.387 -0.824 . . . . 73.31 111.673 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.44 64.25 1.12 Allowed Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 111.252 -0.739 . . . . 75.0 111.252 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -94.67 21.23 7.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.153 0.501 . . . . 74.25 111.2 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 69.85 13.41 8.01 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.408 1.083 . . . . 72.02 113.02 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.514 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 52.9 t -76.21 -70.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 115.755 -0.657 . . . . 73.11 110.632 -177.101 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.0 t 53.93 -87.77 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.265 1.026 . . . . 63.1 113.335 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 p -108.09 1.26 22.2 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 112.725 0.639 . . . . 71.34 112.725 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 94' ' ' VAL . 41.3 mtt180 -64.48 133.47 52.52 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.567 -0.901 . . . . 73.35 108.567 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.53 -26.74 60.54 Favored Glycine 0 C--O 1.244 0.761 0 C-N-CA 121.021 -0.609 . . . . 53.24 114.163 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -95.15 127.6 41.33 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.85 -0.426 . . . . 75.43 109.85 -176.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mp -90.86 119.86 68.85 Favored Pre-proline 0 N--CA 1.428 -1.532 0 N-CA-C 107.684 -1.228 . . . . 75.01 107.684 175.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.69 135.63 68.5 Favored 'Trans proline' 0 N--CA 1.445 -1.343 0 C-N-CA 122.219 1.946 . . . . 73.4 111.118 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.64 68.67 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 108.969 -0.752 . . . . 71.21 108.969 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -61.87 -41.39 97.8 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.852 -1.067 . . . . 74.0 109.052 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.92 -42.07 77.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 115.048 -0.978 . . . . 74.21 110.215 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.25 -42.8 96.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.916 -0.584 . . . . 74.24 109.72 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.36 -42.51 98.81 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.586 -0.734 . . . . 73.41 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.39 94.22 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.167 -0.924 . . . . 54.4 110.398 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -60.41 -41.54 94.13 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.34 0.656 . . . . 74.15 110.763 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -73.3 -27.81 61.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.683 -0.69 . . . . 74.51 111.46 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.74 -36.51 57.06 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.474 0.654 . . . . 72.41 109.806 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.59 151.74 34.28 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.474 -0.785 . . . . 74.23 109.788 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 C--N 1.285 -2.207 0 N-CA-C 108.674 -0.861 . . . . 72.53 108.674 177.699 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 CA--C 1.507 -0.704 0 N-CA-C 108.292 -1.003 . . . . 73.34 108.292 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 m -87.25 94.85 9.78 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-O 121.704 0.764 . . . . 62.4 112.174 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.54 54.31 0.55 Allowed Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 108.298 -1.921 . . . . 65.24 108.298 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 m -67.45 135.94 53.87 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-N 114.931 -0.634 . . . . 61.53 111.183 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.83 -63.53 0.01 OUTLIER Glycine 0 N--CA 1.42 -2.367 0 N-CA-C 110.745 -0.942 . . . . 71.21 110.745 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.1 mmt-85 -127.23 121.26 30.72 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 109.565 -0.531 . . . . 75.13 109.565 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.74 155.34 24.68 Favored Glycine 0 N--CA 1.408 -3.173 0 N-CA-C 108.254 -1.939 . . . . 63.2 108.254 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -100.95 140.86 34.65 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 118.985 -1.086 . . . . 72.23 109.002 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -105.15 -162.28 23.71 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.243 -1.143 . . . . 73.3 110.243 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.95 129.2 46.0 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 106.055 -1.831 . . . . 70.43 106.055 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.92 126.74 35.11 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.009 0 N-CA-C 108.848 -0.797 . . . . 72.3 108.848 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -103.92 -58.0 1.95 Allowed 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 115.377 -0.828 . . . . 75.43 112.073 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -94.89 155.7 16.66 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 115.821 -0.627 . . . . 75.13 110.449 -170.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.42 108.92 3.44 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 114.538 -1.21 . . . . 72.52 108.855 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.515 ' O ' HG13 ' A' ' 83' ' ' ILE . 48.5 mt-30 -106.2 85.8 2.26 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.156 -1.053 . . . . 74.45 108.156 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.5 m -48.88 -47.47 43.04 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.812 1.041 . . . . 73.33 113.812 -173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.473 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -69.29 -38.48 78.32 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 120.683 -0.407 . . . . 63.13 110.882 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.53 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.332 0.395 . . . . 71.42 110.327 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 79' ' ' GLN . 83.4 mt -63.23 -43.71 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.266 -0.642 . . . . 72.34 109.266 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -64.08 -37.43 87.42 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.309 -0.405 . . . . 74.14 110.436 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.512 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 13.7 mm-40 -60.25 -54.39 46.34 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 123.321 0.388 . . . . 71.54 110.444 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -55.41 -44.12 75.91 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.753 0.821 . . . . 74.13 110.187 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.48 77.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.616 -0.72 . . . . 60.44 110.329 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.93 -41.83 92.63 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.509 0.724 . . . . 72.25 111.165 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.512 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 95.9 mtt180 -64.76 -36.24 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.1 -0.5 . . . . 73.44 111.087 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -78.28 -29.06 47.74 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 116.323 -0.398 . . . . 62.34 111.148 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.45 28.56 5.7 Favored Glycine 0 N--CA 1.429 -1.767 0 CA-C-N 115.646 -0.706 . . . . 63.32 112.203 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -86.78 149.52 24.8 Favored 'General case' 0 C--O 1.252 1.192 0 N-CA-C 107.91 -1.144 . . . . 72.32 107.91 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -102.07 95.36 6.29 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 121.422 0.63 . . . . 71.14 110.974 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.34 126.21 59.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.468 -1.308 . . . . 74.1 107.468 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -69.87 127.73 33.92 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 123.448 0.468 . . . . 72.51 110.614 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.9 p -58.7 -35.66 72.99 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.87 -0.605 . . . . 71.11 111.791 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -108.15 89.72 3.08 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 106.044 -1.836 . . . . 75.51 106.044 174.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.76 -173.29 41.39 Favored Glycine 0 N--CA 1.419 -2.452 0 N-CA-C 109.851 -1.3 . . . . 65.34 109.851 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -94.6 -179.25 4.82 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 109.49 -0.559 . . . . 73.43 109.49 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.0 mt -100.58 131.83 23.19 Favored Pre-proline 0 C--N 1.293 -1.879 0 N-CA-C 106.836 -1.542 . . . . 75.12 106.836 173.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.77 128.44 30.41 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.06 1.84 . . . . 74.44 110.478 173.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.755 -0.657 . . . . 72.32 109.229 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -44.26 92.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.885 -1.052 . . . . 74.24 109.83 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.01 -43.42 89.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.758 -0.655 . . . . 62.44 110.293 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.25 -45.39 98.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.292 0.568 . . . . 74.32 110.238 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.13 -40.73 90.86 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.748 -0.66 . . . . 64.3 110.391 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.41 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 116.009 -0.541 . . . . 72.52 109.939 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -59.01 -41.71 88.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 123.518 0.727 . . . . 72.31 110.907 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -75.98 -33.91 59.77 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.707 0.632 . . . . 73.33 112.707 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.82 -22.08 50.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.37 0.605 . . . . 75.03 111.043 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.44 122.06 27.04 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.843 -0.617 . . . . 75.51 110.632 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.293 -1.868 0 N-CA-C 106.027 -1.842 . . . . 74.41 106.027 177.558 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 111.584 0.216 . . . . 63.25 111.584 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.8 m -96.67 141.57 29.76 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.592 -0.892 . . . . 74.44 108.592 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.65 177.62 22.3 Favored Glycine 0 N--CA 1.433 -1.505 0 N-CA-C 111.067 -0.813 . . . . 74.04 111.067 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 m -88.47 85.74 6.91 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.485 0.66 . . . . 63.43 109.412 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.12 173.66 39.66 Favored Glycine 0 N--CA 1.417 -2.631 0 N-CA-C 109.942 -1.263 . . . . 71.12 109.942 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -104.5 92.63 4.39 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 117.119 0.46 . . . . 75.1 110.141 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.36 -41.06 10.4 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 109.876 -1.289 . . . . 73.25 109.876 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 70.61 -46.42 0.62 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.398 1.879 . . . . 75.3 112.225 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 160.65 160.82 10.94 Favored Glycine 0 N--CA 1.412 -2.966 0 N-CA-C 109.278 -1.529 . . . . 75.43 109.278 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -118.84 126.03 50.9 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 108.957 -0.757 . . . . 71.15 108.957 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.5 120.32 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.021 0 N-CA-C 107.437 -1.319 . . . . 74.24 107.437 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.91 135.05 55.04 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 115.173 -0.921 . . . . 72.45 109.217 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 63.98 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.476 1.11 . . . . 74.25 110.677 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -169.72 -67.34 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.375 0.67 . . . . 73.23 109.392 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -109.63 65.29 0.61 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.988 0.899 . . . . 72.12 111.203 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 p -80.39 -27.27 38.17 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.945 -1.025 . . . . 75.44 111.359 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.59 63.55 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.241 -0.436 . . . . 74.24 109.919 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.15 94.81 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.922 -0.581 . . . . 72.34 109.569 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.37 -43.39 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.21 -0.904 . . . . 74.35 109.237 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -61.99 -46.94 87.04 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.827 -0.624 . . . . 75.11 111.033 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -61.09 -43.84 98.27 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 122.59 0.356 . . . . 74.23 111.301 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.48 -44.91 92.93 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.538 0.685 . . . . 72.4 109.54 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.89 99.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.415 -0.811 . . . . 71.4 110.909 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -67.19 -37.19 83.26 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.496 0.719 . . . . 74.51 110.136 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.33 -36.84 85.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.362 -0.836 . . . . 75.31 110.238 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -79.25 -45.0 20.64 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.25 0.548 . . . . 74.15 110.401 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 115.18 33.47 1.63 Allowed Glycine 0 N--CA 1.435 -1.374 0 CA-C-N 115.7 -0.682 . . . . 53.52 112.152 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -86.09 164.27 17.4 Favored 'General case' 0 C--O 1.251 1.175 0 N-CA-C 108.57 -0.9 . . . . 73.41 108.57 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -89.59 90.78 8.41 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.282 0.563 . . . . 73.21 110.671 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 50.6 t -138.7 112.85 7.7 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 107.715 -1.217 . . . . 75.1 107.715 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.4 m -76.87 143.07 39.91 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.252 0.549 . . . . 74.31 111.185 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.78 127.31 31.48 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 115.555 -0.748 . . . . 72.11 109.86 177.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 68.89 6.39 5.56 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.424 1.089 . . . . 74.42 111.956 -176.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.02 -172.87 22.59 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 120.778 -0.725 . . . . 75.23 112.807 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -58.5 130.85 48.75 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 123.909 0.884 . . . . 72.45 111.688 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -102.08 121.41 50.63 Favored Pre-proline 0 N--CA 1.431 -1.416 0 N-CA-C 107.845 -1.169 . . . . 75.14 107.845 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.05 128.52 30.19 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.45 2.1 . . . . 75.32 111.272 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.12 72.12 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.574 -0.739 . . . . 64.42 110.161 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.39 -34.21 77.45 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.472 -0.786 . . . . 73.3 109.829 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.104 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.401 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 75.7 mt -60.97 -45.35 98.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.176 0.512 . . . . 73.23 109.793 176.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.57 -40.99 93.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.7 -0.682 . . . . 71.11 110.374 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.83 99.21 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.895 -0.593 . . . . 74.24 110.154 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 60.4 t80 -56.46 -44.19 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.787 0.835 . . . . 74.55 110.638 176.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -72.67 -39.52 67.04 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.391 -0.822 . . . . 75.42 112.556 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.8 -25.52 59.1 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 112.532 0.567 . . . . 72.42 112.532 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.1 124.32 29.74 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.325 0.583 . . . . 53.42 111.529 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 C--N 1.296 -1.756 0 N-CA-C 105.649 -1.982 . . . . 65.43 105.649 175.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.1 tpt . . . . . 0 C--O 1.22 -0.483 0 N-CA-C 107.926 -1.138 . . . . 71.31 107.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 m -95.29 162.44 13.68 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 109.427 -0.583 . . . . 74.13 109.427 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.96 10.09 16.88 Favored Glycine 0 C--N 1.313 -0.705 0 C-N-CA 120.472 -0.871 . . . . 60.13 112.238 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 m -87.93 -9.9 52.2 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.884 0.849 . . . . 71.4 109.904 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.76 -168.54 36.25 Favored Glycine 0 CA--C 1.487 -1.691 0 N-CA-C 108.078 -2.009 . . . . 61.2 108.078 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 67.29 24.73 8.99 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 123.026 1.394 . . . . 74.11 109.532 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -166.06 63.59 0.22 Allowed Glycine 0 N--CA 1.434 -1.495 0 N-CA-C 108.461 -1.856 . . . . 75.51 108.461 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -75.85 -60.44 2.32 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.284 -0.458 . . . . 75.55 110.442 -175.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.17 -142.46 11.41 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.748 -0.941 . . . . 65.2 110.748 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.06 -162.85 0.85 Allowed 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 106.979 -1.489 . . . . 73.34 106.979 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.7 mt -109.52 131.16 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.29 0 N-CA-C 107.684 -1.228 . . . . 64.01 107.684 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.87 107.75 1.56 Allowed 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.123 0.487 . . . . 75.21 111.982 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -136.57 -56.39 0.74 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.294 -1.743 . . . . 74.21 106.294 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -128.4 121.2 28.49 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 113.557 -1.656 . . . . 74.22 108.657 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.41 97.26 7.08 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.043 -1.466 . . . . 74.43 107.043 170.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.3 p -124.16 -51.46 1.77 Allowed 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 115.784 -0.644 . . . . 62.52 109.543 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.74 96.93 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 115.427 -0.806 . . . . 54.31 110.214 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.33 78.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.57 -0.741 . . . . 71.34 111.273 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -71.13 -45.1 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 109.26 -0.644 . . . . 74.35 109.26 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -60.46 -41.03 93.27 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.341 -0.39 . . . . 74.45 110.914 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.91 -39.88 69.22 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.075 -0.511 . . . . 73.24 111.85 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.46 -46.3 90.65 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 121.759 0.79 . . . . 75.3 109.286 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.83 -49.66 75.41 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 114.722 -1.127 . . . . 72.41 111.591 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -76.82 -17.69 58.85 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.004 0.372 . . . . 62.11 112.004 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -68.65 -42.32 78.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.598 -1.26 . . . . 74.23 107.598 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -71.56 -42.23 68.1 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.155 -0.929 . . . . 73.33 110.97 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 113.21 28.87 3.17 Favored Glycine 0 N--CA 1.433 -1.553 0 CA-C-N 115.597 -0.729 . . . . 72.11 111.441 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -81.17 158.69 24.85 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.742 -1.207 . . . . 72.25 107.742 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -86.61 91.87 8.72 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.267 0.556 . . . . 64.33 110.974 -176.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.56 109.14 20.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.834 -0.621 . . . . 74.32 109.393 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 m -76.25 129.43 36.67 Favored 'General case' 0 N--CA 1.412 -2.351 0 N-CA-C 108.844 -0.798 . . . . 75.51 108.844 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.1 p -68.74 -28.3 66.69 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-O 121.029 0.443 . . . . 72.13 111.235 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -111.64 88.96 2.93 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 115.875 -0.602 . . . . 75.22 109.792 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.89 -96.06 0.11 Allowed Glycine 0 N--CA 1.423 -2.174 0 N-CA-C 110.687 -0.965 . . . . 60.01 110.687 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -162.1 148.05 13.25 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.7 -1.222 . . . . 75.21 107.7 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.6 mt -83.04 124.48 76.51 Favored Pre-proline 0 N--CA 1.42 -1.927 0 N-CA-C 107.352 -1.351 . . . . 74.4 107.352 173.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.21 127.02 24.08 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.635 2.223 . . . . 74.04 111.097 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.64 69.96 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.935 -0.575 . . . . 74.12 109.742 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.51 -41.43 98.84 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.227 -0.897 . . . . 74.34 109.495 173.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.16 -41.86 84.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-N 115.581 -0.736 . . . . 64.43 110.211 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.08 -46.9 93.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.22 -35.83 81.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.425 . . . . 70.13 110.099 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.65 91.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.706 -0.679 . . . . 75.04 110.344 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.78 -39.45 88.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.312 0.645 . . . . 72.44 110.375 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -77.28 -27.07 52.98 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.806 -0.634 . . . . 71.35 112.603 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.65 -37.13 21.4 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.884 0.373 . . . . 75.15 111.848 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.13 123.48 27.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.012 0.434 . . . . 71.1 111.136 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--N 1.306 -1.319 0 CA-C-N 115.812 -0.631 . . . . 71.21 110.166 179.328 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 CA--C 1.503 -0.846 0 N-CA-C 108.253 -1.017 . . . . 73.33 108.253 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -85.1 95.38 9.1 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 109.953 -0.388 . . . . 42.12 109.953 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.21 95.62 1.81 Allowed Glycine 0 N--CA 1.422 -2.281 0 N-CA-C 109.568 -1.413 . . . . 73.3 109.568 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.1 m -67.67 99.02 0.74 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 109.818 -0.438 . . . . 71.01 109.818 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.16 52.86 0.57 Allowed Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 120.715 -0.755 . . . . 73.15 112.785 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -84.53 -48.05 9.96 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 108.0 -1.111 . . . . 72.55 108.0 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.31 167.67 36.28 Favored Glycine 0 N--CA 1.419 -2.494 0 N-CA-C 109.978 -1.249 . . . . 72.02 109.978 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -92.29 -50.44 5.65 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.618 -0.882 . . . . 72.23 108.618 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.94 127.51 1.62 Allowed Glycine 0 N--CA 1.416 -2.657 0 N-CA-C 109.107 -1.597 . . . . 72.15 109.107 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.5 84.33 4.3 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 107.387 -1.338 . . . . 74.34 107.387 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.6 mt -112.73 123.24 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.318 0 CA-C-N 113.77 -1.559 . . . . 74.02 109.199 -173.012 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -78.38 129.23 34.73 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-O 121.624 0.726 . . . . 64.22 110.033 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -137.9 -55.72 0.67 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.078 -0.965 . . . . 75.25 108.954 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -101.27 -27.5 13.16 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.44 -0.8 . . . . 72.51 109.546 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.62 110.83 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.323 -0.853 . . . . 72.14 110.428 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 p -154.83 -64.26 0.13 Allowed 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 116.138 -0.483 . . . . 75.23 109.933 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.79 92.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.19 0.519 . . . . 65.04 110.048 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.76 73.64 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.302 -0.863 . . . . 73.52 110.204 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.483 HG12 ' CD2' ' A' ' 108' ' ' TYR . 56.3 mt -68.89 -42.57 82.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.019 -0.734 . . . . 72.43 109.019 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.528 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 75.0 mtt180 -60.82 -44.46 96.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.808 -0.633 . . . . 64.4 110.432 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -74.34 -30.63 62.11 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 112.437 0.532 . . . . 73.23 112.437 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.453 ' CG ' ' HD1' ' A' ' 108' ' ' TYR . 57.4 t90 -66.38 -36.18 82.21 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.066 -0.716 . . . . 72.23 109.066 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 92' ' ' HIS . . . -64.16 -42.12 96.86 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.268 -0.878 . . . . 75.45 109.451 176.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.0 mmt180 -62.95 -43.89 97.55 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.057 -0.72 . . . . 75.55 109.057 176.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 37.5 ttm180 -54.55 -44.2 72.68 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.468 1.507 . . . . 72.11 110.76 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -76.25 -53.97 7.46 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.933 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.27 38.44 0.28 Allowed Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 120.915 -0.659 . . . . 62.05 112.053 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.404 ' HB2' ' HB3' ' A' ' 87' ' ' ALA . 15.2 m-70 -102.19 133.48 46.98 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.694 -1.595 . . . . 72.42 106.694 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -81.54 71.64 8.56 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.042 0.449 . . . . 75.12 111.5 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -84.78 78.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-O 122.506 1.146 . . . . 75.0 108.722 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -140.83 54.82 1.58 Allowed 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 113.905 -1.498 . . . . 74.52 107.451 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 p -86.79 -88.26 0.13 Allowed 'General case' 0 N--CA 1.418 -2.067 0 CA-C-N 114.685 -1.143 . . . . 75.13 109.986 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -148.91 -60.1 0.23 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.177 -1.416 . . . . 74.02 107.177 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.62 -21.33 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.112 -0.949 . . . . 74.4 112.343 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -75.85 116.56 16.68 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 109.437 -0.579 . . . . 74.42 109.437 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.5 mt -87.11 129.69 50.89 Favored Pre-proline 0 C--N 1.295 -1.796 0 N-CA-C 108.239 -1.023 . . . . 73.4 108.239 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -53.24 124.31 15.35 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.795 2.33 . . . . 74.54 111.989 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.34 -35.69 72.28 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.01 -0.996 . . . . 74.55 110.032 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.86 -41.42 91.45 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.259 -0.882 . . . . 74.32 109.983 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -66.52 -40.87 87.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.858 -0.61 . . . . 73.45 110.292 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.97 -48.41 86.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.163 -0.472 . . . . 74.42 110.898 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -35.69 80.35 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 120.574 0.226 . . . . 72.05 111.274 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.78 93.87 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.255 -0.43 . . . . 71.24 109.841 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.483 ' CD2' HG12 ' A' ' 83' ' ' ILE . 89.3 t80 -58.58 -47.55 83.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.909 0.484 . . . . 72.42 110.965 178.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -69.79 -29.53 66.86 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 113.146 0.795 . . . . 72.11 113.146 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.41 -37.09 26.02 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.409 -0.516 . . . . 62.22 111.21 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.45 138.45 36.6 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.28 0.562 . . . . 53.03 111.733 -176.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--N 1.296 -1.724 0 N-CA-C 108.419 -0.956 . . . . 73.54 108.419 177.251 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 109.742 -0.466 . . . . 71.3 109.742 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.6 m -144.84 33.55 1.13 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.103 -1.443 . . . . 71.4 107.103 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.92 60.18 4.47 Favored Glycine 0 N--CA 1.434 -1.47 0 CA-C-N 114.718 -1.128 . . . . 73.44 112.734 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -87.3 95.68 10.08 Favored 'General case' 0 N--CA 1.421 -1.896 0 N-CA-C 108.9 -0.778 . . . . 73.32 108.9 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.01 43.71 2.55 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.691 -0.766 . . . . 54.0 113.933 -174.143 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -87.71 95.58 10.12 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.993 -0.683 . . . . 74.31 110.095 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.73 99.22 2.53 Favored Glycine 0 N--CA 1.422 -2.282 0 N-CA-C 109.248 -1.541 . . . . 64.32 109.248 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -71.17 95.71 1.29 Allowed 'General case' 0 N--CA 1.434 -1.241 0 CA-C-O 121.784 0.802 . . . . 73.44 112.807 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.07 116.31 1.0 Allowed Glycine 0 N--CA 1.413 -2.846 0 N-CA-C 108.19 -1.964 . . . . 71.14 108.19 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.85 116.48 32.0 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.0 -0.741 . . . . 75.12 109.0 -177.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.9 mt -92.99 123.24 45.02 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.342 0 CA-C-N 115.363 -0.835 . . . . 75.44 109.325 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -91.77 118.86 31.08 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.127 -0.694 . . . . 73.11 109.127 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -166.31 -173.18 2.46 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.445 -1.317 . . . . 75.32 107.445 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -73.07 96.1 2.13 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 123.576 0.547 . . . . 71.44 109.657 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -101.0 81.44 2.25 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 109.084 -0.71 . . . . 73.45 109.084 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -64.72 -32.22 73.79 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.63 -0.714 . . . . 63.04 110.103 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.557 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -63.46 -47.59 81.21 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.252 -0.885 . . . . 71.31 110.02 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.87 87.01 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.34 111.065 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.67 -43.29 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.229 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -63.32 -45.97 88.87 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.053 -0.521 . . . . 63.31 110.488 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 28.6 mm-40 -64.21 -42.08 96.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.633 -0.712 . . . . 73.4 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -57.54 -48.16 80.05 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.76 0.824 . . . . 75.24 109.268 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.57 77.18 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.221 -0.9 . . . . 72.54 110.905 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.418 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -71.91 -15.19 62.09 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.976 -0.556 . . . . 70.41 111.46 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -78.4 -45.45 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.658 -0.867 . . . . 74.4 108.658 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -74.81 -49.36 21.0 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.304 -1.317 . . . . 64.43 111.941 -176.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 127.04 34.23 0.6 Allowed Glycine 0 C--N 1.301 -1.391 0 C-N-CA 120.554 -0.832 . . . . 74.31 111.523 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -97.5 140.9 31.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 106.388 -1.708 . . . . 75.34 106.388 175.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -82.75 94.48 7.63 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 113.785 1.032 . . . . 74.04 113.785 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.8 t -116.22 115.14 48.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 107.19 -1.411 . . . . 74.45 107.19 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 m -59.45 146.28 40.76 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 123.615 0.572 . . . . 73.22 111.659 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.4 p -61.45 -33.93 74.56 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 123.659 0.784 . . . . 75.14 110.33 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -135.27 128.49 31.94 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 106.174 -1.787 . . . . 75.23 106.174 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.0 -139.91 7.14 Favored Glycine 0 C--N 1.296 -1.664 0 N-CA-C 110.835 -0.906 . . . . 74.13 110.835 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -118.09 138.77 52.02 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 109.819 -0.437 . . . . 71.3 109.819 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt -73.91 120.06 79.34 Favored Pre-proline 0 C--N 1.308 -1.205 0 N-CA-C 107.994 -1.114 . . . . 71.41 107.994 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.11 125.59 16.15 Favored 'Trans proline' 0 N--CA 1.445 -1.345 0 C-N-CA 122.216 1.944 . . . . 65.43 111.531 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.78 74.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.233 -0.894 . . . . 73.55 108.765 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.15 -35.97 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.143 -0.935 . . . . 71.34 109.921 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.9 t -68.38 -37.43 77.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.125 -0.488 . . . . 73.15 109.721 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.25 -44.4 99.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.696 -0.483 . . . . 71.12 109.696 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.57 -41.8 97.92 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.604 -0.517 . . . . 74.3 109.604 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.55 85.27 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-N 115.357 -0.838 . . . . 75.44 110.078 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.57 -39.22 76.26 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.705 0.802 . . . . 74.25 110.606 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -81.68 -18.27 45.06 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.542 0.941 . . . . 74.42 113.542 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.95 -34.96 10.23 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 112.809 0.67 . . . . 72.52 112.809 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.28 158.42 34.06 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.857 0.836 . . . . 70.33 113.13 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--N 1.292 -1.919 0 CA-C-N 114.106 -1.406 . . . . 70.41 107.733 178.334 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 CA--C 1.503 -0.832 0 N-CA-C 110.075 -0.343 . . . . 74.51 110.075 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.4 t 70.74 100.72 0.06 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.766 1.226 . . . . 54.2 111.77 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.83 -166.71 22.44 Favored Glycine 0 N--CA 1.423 -2.219 0 N-CA-C 108.529 -1.829 . . . . 71.24 108.529 176.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -89.27 87.21 7.05 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 117.755 0.777 . . . . 73.03 109.58 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.29 99.52 0.89 Allowed Glycine 0 CA--C 1.49 -1.52 0 N-CA-C 108.081 -2.008 . . . . 72.3 108.081 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -126.78 134.35 50.61 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.193 0.52 . . . . 72.14 110.377 -171.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -129.91 68.29 0.55 Allowed Glycine 0 N--CA 1.417 -2.622 0 N-CA-C 107.949 -2.06 . . . . 61.34 107.949 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 71.34 103.34 0.06 Allowed 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.852 1.261 . . . . 74.02 111.791 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.0 147.35 13.49 Favored Glycine 0 N--CA 1.427 -1.917 0 N-CA-C 109.023 -1.631 . . . . 73.14 109.023 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 69.01 66.52 0.28 Allowed 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 122.964 1.364 . . . . 72.42 108.577 -176.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -67.56 129.86 32.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-N 112.503 -2.135 . . . . 62.45 110.621 -174.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -79.9 76.96 6.59 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.716 0.77 . . . . 64.35 110.683 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -170.62 -49.0 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 104.605 -2.368 . . . . 72.32 104.605 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -102.5 78.38 1.72 Allowed 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 106.988 -1.486 . . . . 74.42 106.988 172.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -79.67 134.04 36.4 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-N 115.238 -0.892 . . . . 71.14 111.818 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.416 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 26.8 p -137.74 -39.74 0.56 Allowed 'General case' 0 C--N 1.281 -2.371 0 CA-C-N 114.104 -1.407 . . . . 73.34 108.612 178.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -57.98 -49.61 76.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.692 -0.685 . . . . 75.5 110.1 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 -34.61 73.18 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.022 -0.535 . . . . 71.25 111.564 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 52.4 mt -67.45 -39.74 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.839 -0.43 . . . . 74.1 109.839 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.416 ' HG3' ' O ' ' A' ' 80' ' ' SER . 27.1 mtm180 -63.47 -46.03 88.06 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 74.41 108.565 178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.581 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 34.0 mm-40 -62.51 -47.11 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.756 -1.111 . . . . 73.34 110.347 -177.007 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.32 -42.85 82.65 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 115.739 -0.664 . . . . 73.03 109.98 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.414 ' HB2' ' HB2' ' A' ' 92' ' ' HIS . . . -61.41 -41.64 97.47 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.427 -0.806 . . . . 75.44 110.914 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.437 ' NH1' ' HA ' ' A' ' 95' ' ' SER . 72.3 mtp85 -72.33 -30.21 64.54 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 111.762 0.282 . . . . 75.42 111.762 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.992 -0.373 . . . . 72.23 109.992 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -75.36 -33.06 61.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.26 -0.427 . . . . 74.32 111.674 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.76 38.56 2.52 Favored Glycine 0 C--N 1.303 -1.282 0 C-N-CA 120.799 -0.715 . . . . 71.5 112.154 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.414 ' HB2' ' HB2' ' A' ' 87' ' ' ALA . 16.6 m-70 -92.84 165.89 12.69 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.575 -1.268 . . . . 72.52 107.575 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -88.67 84.6 6.72 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.375 0.607 . . . . 74.33 112.467 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.4 t -142.61 122.63 10.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 106.703 -1.591 . . . . 75.13 106.703 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.437 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 19.1 t -97.87 -82.59 0.42 Allowed 'General case' 0 N--CA 1.424 -1.739 0 C-N-CA 119.83 -0.748 . . . . 72.12 109.788 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 p -136.53 -51.54 0.69 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 111.757 0.28 . . . . 72.13 111.757 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -111.43 179.75 3.94 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 121.161 0.505 . . . . 71.23 112.106 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.01 19.5 26.26 Favored Glycine 0 CA--C 1.501 -0.822 0 N-CA-C 108.772 -1.731 . . . . 73.44 108.772 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 61.19 -111.76 0.47 Allowed 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 125.457 1.503 . . . . 75.51 109.706 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.4 mt -161.37 133.46 4.21 Favored Pre-proline 0 C--N 1.308 -1.202 0 N-CA-C 106.026 -1.842 . . . . 75.45 106.026 -179.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -55.76 130.93 43.06 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 121.801 1.667 . . . . 70.14 110.089 171.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.947 0.499 . . . . 74.24 110.138 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.94 -37.54 87.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.298 -0.865 . . . . 73.04 109.572 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -70.85 -38.08 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.868 -0.606 . . . . 75.14 110.337 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.23 -43.75 98.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.656 -0.498 . . . . 72.52 109.656 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.75 -42.41 97.34 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.62 -0.718 . . . . 71.13 109.597 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.89 96.32 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.244 -0.889 . . . . 65.05 110.833 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -61.97 -42.65 99.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.149 0.579 . . . . 71.24 110.689 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -70.9 -28.56 64.63 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.906 -0.588 . . . . 71.51 111.878 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.93 -36.65 27.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.531 -0.304 . . . . 64.13 111.417 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.43 128.43 36.16 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.324 0.583 . . . . 64.22 112.16 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.3 t70 . . . . . 0 C--N 1.296 -1.719 0 N-CA-C 107.148 -1.427 . . . . 70.22 107.148 176.963 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 121.07 0.462 . . . . 74.32 110.336 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.57 77.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.132 -0.94 . . . . 75.54 110.909 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 108' ' ' TYR . 67.2 mt -60.44 -44.06 95.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 109.438 -0.578 . . . . 62.14 109.438 176.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -64.76 -43.55 92.93 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.961 -0.563 . . . . 74.3 111.079 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.9 -39.7 79.58 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 116.644 -0.253 . . . . 75.32 111.656 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -63.57 -39.8 95.32 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.265 0.555 . . . . 74.4 109.675 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.05 76.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.57 -0.741 . . . . 73.35 109.758 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -60.65 -41.51 95.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.297 -0.411 . . . . 73.11 110.525 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -58.96 -39.14 80.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.483 1.113 . . . . 74.12 111.059 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 . . . . . 0 C--N 1.316 -0.872 0 N-CA-C 112.279 0.474 . . . . 63.1 112.279 178.48 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.24 0.589 0 N-CA-C 111.321 -0.3 . . . . 71.3 111.321 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.3 71.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.935 -0.575 . . . . 64.31 110.075 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.02 -32.07 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 63.04 110.088 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.75 -39.56 60.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.04 110.248 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.026 -0.731 . . . . 72.15 109.026 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.817 -1.083 . . . . 71.21 110.256 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.91 93.75 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.563 -0.744 . . . . 44.12 110.431 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.469 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.0 t80 -58.23 -43.31 87.67 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.194 0.997 . . . . 72.43 110.635 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -72.52 -39.87 67.25 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.451 -0.795 . . . . 72.31 112.562 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.992 0 CA-C-O 120.758 0.314 . . . . 64.33 111.749 179.772 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.278 -1.008 . . . . 71.22 108.278 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.17 -37.26 79.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.575 -1.193 . . . . 74.35 110.286 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 108' ' ' TYR . 49.8 mt -64.93 -41.11 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.047 -0.723 . . . . 73.31 109.047 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -62.87 -41.25 99.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.155 -0.93 . . . . 73.55 110.242 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.15 -46.21 81.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.241 0.543 . . . . 65.31 110.135 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.12 -43.11 91.92 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.479 -0.782 . . . . 74.45 110.14 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.84 99.18 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.327 -0.851 . . . . 53.44 110.374 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -68.12 -37.2 80.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.683 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -63.94 -45.35 89.56 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.619 0.247 . . . . 74.11 111.185 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 0 CA--C 1.501 -0.912 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.213 179.062 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.464 ' O ' HG13 ' A' ' 105' ' ' ILE . 21.8 Cg_exo . . . . . 0 C--O 1.231 0.161 0 N-CA-C 111.797 -0.117 . . . . 52.41 111.797 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -27.85 68.33 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.184 0.516 . . . . 60.42 109.704 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.55 -44.9 93.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.041 -0.982 . . . . 74.41 109.376 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.6 -34.79 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.092 -0.958 . . . . 61.12 110.247 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 101' ' ' PRO . 66.0 mt -64.71 -43.98 96.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.705 -0.679 . . . . 72.22 110.542 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.54 -40.29 95.32 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.262 0.553 . . . . 63.21 109.676 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.92 88.18 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.493 -0.776 . . . . 61.34 109.929 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.481 ' CD1' HG12 ' A' ' 83' ' ' ILE . 74.7 t80 -56.26 -52.64 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 124.152 0.981 . . . . 74.34 111.348 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -63.43 -34.18 77.17 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.55 0.574 . . . . 74.33 112.55 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.771 0 N-CA-C 112.894 0.702 . . . . 73.41 112.894 -179.73 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.272 0 CA-C-O 120.82 0.343 . . . . 51.32 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.91 77.49 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.992 -0.549 . . . . 64.42 110.337 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.7 mt -68.15 -39.72 81.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.906 -0.775 . . . . 63.24 108.906 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 61.8 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.67 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.698 -0.683 . . . . 63.32 111.287 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.454 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 74.7 t90 -61.35 -37.99 85.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.676 0.75 . . . . 74.12 109.624 176.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.14 96.01 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.471 -0.786 . . . . 62.15 110.52 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 24.2 mtp180 -67.36 -37.71 83.64 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.447 0.642 . . . . 74.01 110.144 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 50.3 ttt180 -57.81 -43.5 85.73 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.778 -1.101 . . . . 74.11 110.61 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 116.039 -0.528 . . . . 44.31 112.346 178.444 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 CA--C 1.514 -0.509 0 CA-C-O 120.87 0.279 . . . . 64.12 112.705 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.69 -39.87 59.06 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.333 1.053 . . . . 30.43 110.062 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.18 -47.18 78.82 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 114.801 -1.09 . . . . 70.03 110.702 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.74 -41.02 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.45 0.469 . . . . 50.1 110.447 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.45 -48.59 86.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.725 -0.671 . . . . 65.32 110.549 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.93 -40.67 95.4 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.299 -0.41 . . . . 74.45 110.282 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.97 89.41 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.604 -0.726 . . . . 71.52 110.534 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.59 -42.33 96.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 62.11 109.775 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -75.39 -24.59 57.23 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.364 -0.834 . . . . 72.31 112.19 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.12 0 N-CA-C 111.988 0.366 . . . . 62.12 111.988 -178.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.858 0 N-CA-C 108.608 -0.886 . . . . 73.25 108.608 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.96 -32.97 74.7 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.952 -1.022 . . . . 73.2 110.208 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.465 HG12 ' CD1' ' A' ' 108' ' ' TYR . 66.2 mt -60.11 -44.12 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.954 -0.758 . . . . 53.12 108.954 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.07 -44.9 94.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.161 -0.927 . . . . 71.32 110.257 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.33 -32.15 66.27 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.914 0.709 . . . . 63.11 112.914 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -64.33 -40.41 95.84 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.702 0.763 . . . . 65.32 108.96 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.91 87.47 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.311 -0.858 . . . . 73.23 109.44 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -63.28 -34.89 78.67 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.371 0.508 . . . . 60.44 112.371 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -60.93 -39.35 89.11 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.281 0.632 . . . . 64.4 109.333 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.286 -0.87 . . . . 72.02 111.0 176.932 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo . . . . . 0 N--CA 1.459 -0.501 0 CA-C-O 121.123 0.385 . . . . 74.41 112.073 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.63 71.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.498 -0.774 . . . . 74.12 110.239 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.096 -0.956 . . . . 71.43 110.71 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 t -71.82 -35.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 CA-C-N 115.111 -0.95 . . . . 75.51 110.113 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.21 -43.89 99.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.025 -0.534 . . . . 74.44 109.681 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.0 -45.22 95.7 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.774 -0.648 . . . . 52.31 110.031 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.91 87.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.954 -1.021 . . . . 60.53 110.498 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.465 ' CD1' HG12 ' A' ' 83' ' ' ILE . 76.8 t80 -61.16 -45.71 93.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.992 0.517 . . . . 75.34 110.839 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -69.74 -23.19 63.35 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 113.014 0.746 . . . . 74.2 113.014 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.205 0 N-CA-C 109.956 -0.387 . . . . 73.22 109.956 176.265 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . . . . . . 0 C--O 1.241 0.643 0 CA-C-O 120.607 0.241 . . . . 73.35 110.811 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.89 81.95 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.304 -0.862 . . . . 73.31 110.866 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.418 HG12 ' CD1' ' A' ' 108' ' ' TYR . 77.9 mt -61.66 -44.19 98.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 116.299 -0.41 . . . . 65.43 109.991 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 81' ' ' ALA . 24.8 mtp-105 -62.28 -45.7 92.09 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.928 -0.578 . . . . 75.1 110.34 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.42 -43.55 90.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.392 -0.822 . . . . 72.45 111.826 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -61.66 -44.54 96.77 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.951 0.501 . . . . 73.42 109.988 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -53.09 62.05 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.554 -0.748 . . . . 43.24 111.406 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -68.5 -30.88 69.8 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.008 -0.542 . . . . 75.55 111.341 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -64.38 -44.18 92.17 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.392 -0.595 . . . . 72.22 109.392 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 . . . . . 0 CA--C 1.493 -1.213 0 CA-C-N 115.991 -0.55 . . . . 75.23 110.508 176.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo . . . . . 0 N--CA 1.456 -0.719 0 CA-C-O 120.904 0.293 . . . . 63.44 112.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.84 -30.74 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.301 -0.863 . . . . 71.22 109.453 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.5 -38.18 90.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.883 -1.053 . . . . 74.21 110.659 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.76 -36.67 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 60.03 109.754 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.4 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.556 -0.747 . . . . 73.24 109.963 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.38 -39.56 94.1 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.384 -0.599 . . . . 51.33 109.384 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.58 93.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.729 -0.668 . . . . 72.24 110.22 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.418 ' CD1' HG12 ' A' ' 83' ' ' ILE . 85.0 t80 -60.63 -47.54 85.76 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.888 0.875 . . . . 64.31 110.402 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -74.55 -17.18 60.77 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.215 -0.902 . . . . 74.0 112.759 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.922 0 N-CA-C 111.883 0.327 . . . . 73.12 111.883 178.1 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 CA--C 1.507 -0.681 0 N-CA-C 110.095 -0.335 . . . . 73.52 110.095 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.99 74.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 73.42 111.447 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.464 HG12 ' CD2' ' A' ' 108' ' ' TYR . 75.0 mt -62.55 -46.72 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.471 -0.566 . . . . 64.34 109.471 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -61.35 -42.19 98.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.776 -0.647 . . . . 72.01 109.676 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 3.9 mm-40 -69.68 -38.03 76.88 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 115.655 -0.702 . . . . 62.41 111.142 -177.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.466 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 73.8 t90 -64.74 -42.25 95.34 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.748 0.785 . . . . 72.32 109.083 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.57 91.33 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.274 -0.875 . . . . 64.54 110.556 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 85' ' ' GLU . 74.1 mtm180 -75.07 -32.12 61.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.768 0.318 . . . . 75.35 110.907 176.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 61.1 ttt180 -57.04 -43.32 81.86 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.187 1.395 . . . . 71.12 108.948 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 114.85 -1.068 . . . . 74.32 110.44 175.653 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.459 -0.529 0 N-CA-C 110.812 -0.495 . . . . 74.3 110.812 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.77 72.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.855 -0.611 . . . . 72.42 109.726 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.76 -37.58 88.08 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.041 -0.981 . . . . 51.42 110.029 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -68.78 -42.73 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 74.34 110.327 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.33 -49.89 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 63.23 110.349 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.78 -37.31 84.33 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.035 -0.53 . . . . 65.42 110.778 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.59 98.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.738 -0.664 . . . . 72.54 109.887 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.464 ' CD2' HG12 ' A' ' 83' ' ' ILE . 61.2 t80 -59.32 -45.21 91.97 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.632 0.773 . . . . 70.11 110.694 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -70.06 -24.23 63.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.983 -0.553 . . . . 74.33 112.264 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.096 0.474 . . . . 44.14 110.708 176.126 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.752 0.31 . . . . 72.02 111.148 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.76 76.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.565 . . . . 43.22 110.64 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.75 -39.91 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.848 -0.615 . . . . 61.24 109.569 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.13 -38.37 78.8 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.913 0.387 . . . . 74.41 109.959 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 30.6 mm-40 -64.05 -44.2 93.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.914 -0.585 . . . . 64.1 110.019 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.78 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.585 0.754 . . . . 62.2 110.152 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.43 85.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.073 -0.512 . . . . 73.35 110.574 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -70.54 -31.34 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.95 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.09 -39.56 92.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.898 -0.778 . . . . 73.31 108.898 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 . . . . . 0 C--N 1.305 -1.354 0 CA-C-N 115.88 -0.6 . . . . 65.53 110.629 176.747 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 N--CA 1.456 -0.734 0 CA-C-O 120.957 0.315 . . . . 73.33 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.17 -33.15 68.91 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 123.502 0.721 . . . . 34.12 109.777 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.97 -40.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.361 -0.836 . . . . 62.31 109.47 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.55 -40.67 82.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.51 -0.768 . . . . 53.53 110.501 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.79 -48.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.914 0.387 . . . . 73.01 110.241 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.08 -38.48 88.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.338 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.8 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.015 -0.538 . . . . 23.05 109.897 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.59 -48.04 80.48 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.762 0.825 . . . . 73.14 110.729 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -71.56 -26.16 62.51 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 112.808 0.669 . . . . 72.33 112.808 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.97 0 N-CA-C 112.899 0.703 . . . . 55.2 112.899 -178.8 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.213 -0.817 0 N-CA-C 109.62 -0.511 . . . . 74.11 109.62 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.91 97.05 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.181 0.515 . . . . 73.51 110.74 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.71 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.51 -0.768 . . . . 63.22 109.75 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.34 -35.62 78.04 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.446 -0.343 . . . . 74.13 111.327 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 8.9 mm-40 -62.84 -45.98 90.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.064 0.459 . . . . 64.32 110.288 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -64.64 -41.15 96.35 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-O 121.586 0.708 . . . . 74.12 109.686 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.68 93.66 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.163 -0.926 . . . . 73.42 110.605 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -68.58 -31.42 70.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.699 0.259 . . . . 71.24 111.699 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -61.07 -45.51 94.43 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.383 -0.599 . . . . 74.02 109.383 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 . . . . . 0 CA--C 1.506 -0.736 0 CA-C-N 115.382 -0.826 . . . . 75.54 111.176 178.42 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 N--CA 1.458 -0.594 0 N-CA-C 111.07 -0.396 . . . . 64.32 111.07 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.69 71.63 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.688 -0.856 . . . . 52.04 108.688 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.05 -43.22 91.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.405 -1.271 . . . . 72.35 109.581 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.59 -40.35 81.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.858 -0.61 . . . . 73.34 110.157 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.26 -44.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.044 -0.525 . . . . 63.52 110.262 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.27 -40.83 96.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.123 -0.489 . . . . 75.34 110.055 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 74.24 110.453 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.19 -42.49 99.33 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 124.056 0.942 . . . . 72.23 110.938 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -75.32 -27.08 59.12 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.87 -0.605 . . . . 74.22 112.32 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.853 0 CA-C-N 116.472 -0.331 . . . . 73.42 111.384 178.889 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.866 0 N-CA-C 108.825 -0.806 . . . . 61.24 108.825 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.54 71.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.537 -0.756 . . . . 63.34 110.759 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 108' ' ' TYR . 60.4 mt -69.95 -43.76 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.754 -0.832 . . . . 73.25 108.754 177.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.59 -39.61 80.85 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.822 -0.627 . . . . 73.02 110.362 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 22.9 mm-40 -60.61 -58.39 8.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.439 -0.8 . . . . 65.23 110.059 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -53.94 -41.45 67.75 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.977 0.911 . . . . 72.54 110.916 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.01 75.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 62.32 110.585 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.484 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -71.02 -24.81 62.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.601 0.223 . . . . 72.1 111.601 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 83.1 mtt180 -67.52 -43.12 81.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.648 -0.501 . . . . 75.21 109.648 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 115.866 -0.606 . . . . 60.22 110.968 177.872 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo . . . . . 0 N--CA 1.46 -0.484 0 CA-C-O 121.168 0.403 . . . . 70.33 111.773 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.57 72.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.357 -0.838 . . . . 75.13 109.527 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -41.83 91.07 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.185 -0.916 . . . . 73.41 109.428 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.28 -40.32 82.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 115.655 -0.702 . . . . 63.43 110.437 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.36 -47.33 92.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.266 -0.425 . . . . 70.22 110.597 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.56 -43.7 93.07 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.304 -0.407 . . . . 64.54 110.134 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.89 89.2 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.516 0.51 . . . . 41.01 110.624 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.419 ' CD2' HG12 ' A' ' 83' ' ' ILE . 86.6 t80 -61.52 -42.14 98.36 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.343 0.657 . . . . 61.44 111.028 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -76.19 -27.77 57.02 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.472 0.545 . . . . 63.4 112.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.99 0 N-CA-C 111.985 0.365 . . . . 44.44 111.985 -178.915 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 121.348 0.594 . . . . 60.32 109.454 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.2 71.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.803 -1.09 . . . . 54.04 110.034 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.26 -43.9 84.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.427 -0.583 . . . . 72.1 109.427 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 42.7 mtp180 -58.47 -46.96 85.57 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.271 0.557 . . . . 71.2 110.375 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.1 -40.87 86.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.489 -0.778 . . . . 74.02 110.959 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.83 -42.71 99.37 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.783 0.801 . . . . 64.51 109.34 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.86 95.63 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.022 -0.99 . . . . 62.35 110.852 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 41.8 mtm105 -70.49 -33.13 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.337 0.589 . . . . 74.54 110.373 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -65.97 -34.47 78.18 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.171 0.986 . . . . 73.4 109.096 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 C--N 1.291 -1.952 0 CA-C-N 114.331 -1.304 . . . . 65.13 112.538 -179.63 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.475 ' O ' HG13 ' A' ' 105' ' ' ILE . 32.4 Cg_exo . . . . . 0 N--CA 1.471 0.188 0 CA-C-O 120.785 0.244 . . . . 75.33 112.189 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.2 -28.47 69.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.789 0.836 . . . . 54.1 110.29 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -46.28 89.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 108.545 -0.909 . . . . 61.34 108.545 174.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.97 -38.39 81.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.006 0 CA-C-N 114.624 -1.171 . . . . 70.3 110.501 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 101' ' ' PRO . 60.8 mt -62.52 -47.56 92.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.254 -0.43 . . . . 73.24 111.719 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.2 -36.63 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.783 -0.767 . . . . 75.0 109.948 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.44 99.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 73.33 109.89 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.29 -47.81 83.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 123.812 0.845 . . . . 75.4 110.797 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -71.34 -28.0 63.77 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 113.119 0.785 . . . . 70.11 113.119 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.966 0 C-N-CA 120.734 -0.386 . . . . 72.24 111.456 178.504 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.833 -0.432 . . . . 71.21 109.833 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.65 94.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.405 -0.816 . . . . 72.42 110.644 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.94 -43.98 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.953 -0.567 . . . . 74.11 109.857 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -59.42 -46.18 89.44 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.616 -0.265 . . . . 62.42 111.362 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 14.3 mm-40 -63.31 -41.58 98.96 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.52 -0.309 . . . . 73.54 111.403 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.485 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 78.4 t90 -66.66 -41.0 88.87 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-O 121.775 0.798 . . . . 54.12 110.21 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.25 91.37 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.135 -0.938 . . . . 63.31 110.499 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -69.77 -31.84 70.0 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.287 -0.415 . . . . 71.21 110.7 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 29.9 ttt180 -56.88 -45.63 82.39 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.775 -0.824 . . . . 64.13 108.775 174.242 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.089 -0.959 . . . . 62.42 110.541 176.356 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.441 ' O ' HG13 ' A' ' 105' ' ' ILE . 51.9 Cg_exo . . . . . 0 CA--C 1.515 -0.439 0 CA-C-O 120.747 0.228 . . . . 64.35 111.883 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.38 -34.17 73.51 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.747 -0.66 . . . . 72.33 109.925 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -58.75 -43.54 90.31 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 115.283 -0.871 . . . . 63.43 109.932 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.22 -40.7 87.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-N 115.324 -0.853 . . . . 75.01 110.352 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 101' ' ' PRO . 67.0 mt -61.17 -48.11 90.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.784 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.627 -0.509 . . . . 72.2 109.627 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.37 95.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 70.33 110.547 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -58.92 -42.41 89.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 123.704 0.802 . . . . 70.25 110.724 177.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -75.24 -35.02 61.47 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.479 -0.782 . . . . 60.15 112.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.911 0 N-CA-C 111.788 0.292 . . . . 75.54 111.788 -179.263 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.143 0.497 . . . . 22.34 110.31 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.78 83.63 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.117 -0.947 . . . . 63.13 110.526 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -66.52 -38.72 82.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 109.113 -0.699 . . . . 73.45 109.113 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 53.5 mtp180 -62.08 -44.92 95.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.731 . . . . 62.03 109.386 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.2 -44.08 76.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 73.34 110.999 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -59.0 -40.8 86.02 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.417 0.627 . . . . 63.21 109.877 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.61 75.01 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.581 -0.736 . . . . 63.24 110.051 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 17.1 mtm180 -63.04 -37.78 88.54 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 110.11 -0.33 . . . . 64.13 110.11 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.9 -45.52 82.55 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.012 0.925 . . . . 73.11 109.788 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 . . . . . 0 CA--C 1.513 -0.477 0 CA-C-N 115.46 -0.791 . . . . 74.52 111.926 179.625 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.456 -0.709 0 CA-C-O 121.274 0.448 . . . . 62.15 112.305 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.43 71.55 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.133 -0.939 . . . . 72.22 109.653 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.33 -42.32 95.38 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.505 -1.294 . . . . 62.22 107.505 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.21 -41.08 83.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 114.736 -1.12 . . . . 63.42 110.571 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.69 -43.76 95.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.842 0.353 . . . . 72.42 110.573 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.774 -0.371 . . . . 75.02 110.237 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.13 98.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.051 -0.522 . . . . 71.02 110.166 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.94 -40.45 93.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.83 0.852 . . . . 74.03 110.862 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -78.69 -26.25 44.88 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 112.732 0.642 . . . . 73.44 112.732 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.094 0 CA-C-O 121.019 0.438 . . . . 60.32 111.609 178.566 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.705 0.288 . . . . 62.33 110.911 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.58 81.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 53.25 111.041 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.81 -39.53 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.545 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 13.6 mtm180 -63.7 -47.61 80.46 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.661 -0.866 . . . . 63.2 108.661 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 38.4 mm-40 -60.76 -45.84 92.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.02 -0.991 . . . . 73.34 109.966 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -58.36 -46.18 86.79 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.514 0.726 . . . . 61.41 110.12 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.61 98.63 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.512 -0.767 . . . . 74.44 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 26.4 mtp180 -68.46 -35.72 77.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.675 0.274 . . . . 73.31 110.303 178.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.44 -37.74 81.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.741 0.816 . . . . 74.43 110.077 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 . . . . . 0 C--N 1.316 -0.855 0 CA-C-N 115.988 -0.551 . . . . 61.45 111.144 176.806 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo . . . . . 0 CA--C 1.516 -0.407 0 CA-C-O 121.246 0.436 . . . . 64.35 111.571 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.79 -38.82 76.15 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.271 1.028 . . . . 64.14 110.954 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.82 -33.39 75.75 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.033 -0.53 . . . . 55.41 109.844 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 t -70.56 -38.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 116.021 -0.536 . . . . 74.15 110.39 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.78 -46.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.196 0.522 . . . . 75.04 109.656 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.81 -43.1 97.27 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.393 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.82 -0.627 . . . . 74.42 110.286 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -56.08 -51.24 68.59 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.045 0.938 . . . . 65.02 110.399 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -65.95 -31.36 72.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.263 -0.88 . . . . 74.1 112.378 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.094 0 CA-C-O 120.683 0.277 . . . . 71.11 111.48 -179.706 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.027 -0.731 . . . . 74.23 109.027 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.704 -0.68 . . . . 73.33 110.322 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.78 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.414 -0.587 . . . . 71.14 109.414 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 37.6 mtp180 -61.66 -44.24 97.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.593 -0.276 . . . . 64.24 110.723 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 46.6 mt-10 -62.03 -46.85 87.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 53.05 110.196 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.11 -42.07 89.69 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 123.539 0.736 . . . . 71.53 110.044 175.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.8 71.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.537 -0.756 . . . . 61.3 111.069 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 75.8 mtp180 -75.47 -34.52 60.91 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.097 0.559 . . . . 75.05 110.904 176.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 85.7 mtt180 -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.31 0.576 . . . . 64.42 109.587 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 . . . . . 0 C--N 1.312 -1.029 0 CA-C-N 115.387 -0.824 . . . . 64.24 111.673 179.21 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo . . . . . 0 N--CA 1.445 -1.343 0 N-CA-C 111.118 -0.378 . . . . 70.12 111.118 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.64 68.67 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 108.969 -0.752 . . . . 71.21 108.969 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -61.87 -41.39 97.8 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.852 -1.067 . . . . 74.0 109.052 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.92 -42.07 77.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 115.048 -0.978 . . . . 73.14 110.215 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.25 -42.8 96.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.916 -0.584 . . . . 74.21 109.72 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.36 -42.51 98.81 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.586 -0.734 . . . . 73.33 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.39 94.22 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.167 -0.924 . . . . 50.41 110.398 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -60.41 -41.54 94.13 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.34 0.656 . . . . 70.55 110.763 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -73.3 -27.81 61.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.683 -0.69 . . . . 74.51 111.46 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 CA-C-O 121.474 0.654 . . . . 71.21 109.806 176.358 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.731 0 N-CA-C 110.882 -0.044 . . . . 62.02 110.882 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.53 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.332 0.395 . . . . 71.42 110.327 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 108' ' ' TYR . 83.4 mt -63.23 -43.71 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.266 -0.642 . . . . 72.34 109.266 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -64.08 -37.43 87.42 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.309 -0.405 . . . . 74.14 110.436 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 13.7 mm-40 -60.25 -54.39 46.34 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 123.321 0.388 . . . . 62.22 110.444 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -55.41 -44.12 75.91 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.753 0.821 . . . . 74.13 110.187 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.48 77.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.616 -0.72 . . . . 60.44 110.329 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.93 -41.83 92.63 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.509 0.724 . . . . 72.25 111.165 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 95.9 mtt180 -64.76 -36.24 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.1 -0.5 . . . . 73.44 111.087 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 CA--C 1.504 -0.807 0 CA-C-N 116.323 -0.398 . . . . 61.33 111.148 176.666 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 N--CA 1.451 -1.021 0 N-CA-C 110.478 -0.624 . . . . 74.3 110.478 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.755 -0.657 . . . . 72.32 109.229 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -44.26 92.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.885 -1.052 . . . . 74.24 109.83 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.01 -43.42 89.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.758 -0.655 . . . . 62.44 110.293 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.25 -45.39 98.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.292 0.568 . . . . 74.32 110.238 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.13 -40.73 90.86 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.748 -0.66 . . . . 64.3 110.391 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.41 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 116.009 -0.541 . . . . 72.52 109.939 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CD2' HG12 ' A' ' 83' ' ' ILE . 77.0 t80 -59.01 -41.71 88.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 123.518 0.727 . . . . 71.3 110.907 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -75.98 -33.91 59.77 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.707 0.632 . . . . 55.23 112.707 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.787 0 CA-C-O 121.37 0.605 . . . . 62.42 111.043 178.74 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.601 0 N-CA-C 109.919 -0.4 . . . . 74.24 109.919 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.15 94.81 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.922 -0.581 . . . . 72.34 109.569 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.37 -43.39 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.21 -0.904 . . . . 52.22 109.237 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -61.99 -46.94 87.04 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.827 -0.624 . . . . 75.11 111.033 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -61.09 -43.84 98.27 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 122.59 0.356 . . . . 74.23 111.301 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.48 -44.91 92.93 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.538 0.685 . . . . 72.14 109.54 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.89 99.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.415 -0.811 . . . . 71.4 110.909 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -67.19 -37.19 83.26 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.496 0.719 . . . . 74.43 110.136 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.33 -36.84 85.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.362 -0.836 . . . . 75.31 110.238 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 . . . . . 0 C--N 1.314 -0.936 0 CA-C-O 121.25 0.548 . . . . 74.15 110.401 175.913 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 N--CA 1.457 -0.66 0 CA-C-O 121.025 0.344 . . . . 64.1 111.272 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.12 72.12 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.574 -0.739 . . . . 64.42 110.161 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.39 -34.21 77.45 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.472 -0.786 . . . . 73.3 109.829 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.104 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 75.7 mt -60.97 -45.35 98.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.176 0.512 . . . . 61.51 109.793 176.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.57 -40.99 93.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.7 -0.682 . . . . 70.31 110.374 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.83 99.21 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.895 -0.593 . . . . 74.24 110.154 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 60.4 t80 -56.46 -44.19 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.787 0.835 . . . . 72.13 110.638 176.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -72.67 -39.52 67.04 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.391 -0.822 . . . . 73.01 112.556 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.94 0 N-CA-C 112.532 0.567 . . . . 72.42 112.532 -178.425 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.832 0 N-CA-C 110.214 -0.291 . . . . 54.31 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.33 78.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.57 -0.741 . . . . 71.34 111.273 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -71.13 -45.1 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 109.26 -0.644 . . . . 61.13 109.26 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -60.46 -41.03 93.27 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.341 -0.39 . . . . 74.0 110.914 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.91 -39.88 69.22 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.075 -0.511 . . . . 73.24 111.85 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.46 -46.3 90.65 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 121.759 0.79 . . . . 71.04 109.286 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.83 -49.66 75.41 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 114.722 -1.127 . . . . 72.41 111.591 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -76.82 -17.69 58.85 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.004 0.372 . . . . 54.42 112.004 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -68.65 -42.32 78.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.598 -1.26 . . . . 64.2 107.598 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 . . . . . 0 CA--C 1.51 -0.588 0 CA-C-N 115.155 -0.929 . . . . 72.44 110.97 176.107 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.097 -0.386 . . . . 74.04 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.64 69.96 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.935 -0.575 . . . . 74.12 109.742 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.51 -41.43 98.84 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.227 -0.897 . . . . 74.34 109.495 173.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.16 -41.86 84.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-N 115.581 -0.736 . . . . 51.44 110.211 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.08 -46.9 93.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.22 -35.83 81.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.425 . . . . 64.12 110.099 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.65 91.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.706 -0.679 . . . . 75.04 110.344 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.78 -39.45 88.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.312 0.645 . . . . 72.44 110.375 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -77.28 -27.07 52.98 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.806 -0.634 . . . . 71.35 112.603 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.896 0 CA-C-O 120.884 0.373 . . . . 42.2 111.848 -179.789 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 0 CA-C-O 121.19 0.519 . . . . 64.2 110.048 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.76 73.64 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.302 -0.863 . . . . 73.52 110.204 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CD2' ' A' ' 108' ' ' TYR . 56.3 mt -68.89 -42.57 82.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.019 -0.734 . . . . 72.43 109.019 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 75.0 mtt180 -60.82 -44.46 96.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.808 -0.633 . . . . 64.4 110.432 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -74.34 -30.63 62.11 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 112.437 0.532 . . . . 73.23 112.437 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.457 ' CG ' ' HD1' ' A' ' 108' ' ' TYR . 57.4 t90 -66.38 -36.18 82.21 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.066 -0.716 . . . . 71.14 109.066 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.12 96.86 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.268 -0.878 . . . . 33.4 109.451 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.0 mmt180 -62.95 -43.89 97.55 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.057 -0.72 . . . . 74.3 109.057 176.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 37.5 ttm180 -54.55 -44.2 72.68 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.468 1.507 . . . . 72.11 110.76 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 . . . . . 0 CA--C 1.495 -1.143 0 CA-C-N 116.083 -0.508 . . . . 55.32 110.933 177.57 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo . . . . . 0 C--O 1.239 0.561 0 CA-C-O 121.351 0.479 . . . . 61.54 111.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.34 -35.69 72.28 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.01 -0.996 . . . . 61.44 110.032 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.86 -41.42 91.45 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.259 -0.882 . . . . 70.1 109.983 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -66.52 -40.87 87.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.858 -0.61 . . . . 73.45 110.292 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.97 -48.41 86.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.163 -0.472 . . . . 63.31 110.898 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -35.69 80.35 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 120.574 0.226 . . . . 72.05 111.274 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.78 93.87 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.255 -0.43 . . . . 71.24 109.841 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.488 ' CD2' HG12 ' A' ' 83' ' ' ILE . 89.3 t80 -58.58 -47.55 83.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.909 0.484 . . . . 72.42 110.965 178.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.5 m80 -69.79 -29.53 66.86 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 113.146 0.795 . . . . 71.13 113.146 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.539 0 C-N-CA 120.409 -0.516 . . . . 51.33 111.21 178.808 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 110.02 -0.363 . . . . 62.32 110.02 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.87 87.01 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.34 111.065 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.67 -43.29 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.133 -0.485 . . . . 65.33 110.229 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -63.32 -45.97 88.87 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.053 -0.521 . . . . 62.34 110.488 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 28.6 mm-40 -64.21 -42.08 96.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.633 -0.712 . . . . 73.4 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -57.54 -48.16 80.05 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.76 0.824 . . . . 74.31 109.268 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.57 77.18 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.221 -0.9 . . . . 52.24 110.905 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -71.91 -15.19 62.09 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.976 -0.556 . . . . 70.11 111.46 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -78.4 -45.45 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.658 -0.867 . . . . 71.52 108.658 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--N 1.307 -1.273 0 CA-C-N 114.304 -1.317 . . . . 64.43 111.941 -176.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo . . . . . 0 N--CA 1.445 -1.345 0 CA-C-O 121.303 0.46 . . . . 64.11 111.531 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.78 74.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.233 -0.894 . . . . 72.51 108.765 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.15 -35.97 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.143 -0.935 . . . . 71.34 109.921 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.9 t -68.38 -37.43 77.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.125 -0.488 . . . . 73.15 109.721 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.25 -44.4 99.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.696 -0.483 . . . . 65.32 109.696 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.57 -41.8 97.92 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.604 -0.517 . . . . 74.3 109.604 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.55 85.27 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-N 115.357 -0.838 . . . . 73.45 110.078 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.57 -39.22 76.26 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.705 0.802 . . . . 61.44 110.606 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -81.68 -18.27 45.06 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.542 0.941 . . . . 74.42 113.542 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.863 0 N-CA-C 112.809 0.67 . . . . 72.52 112.809 177.677 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 110.1 -0.333 . . . . 75.5 110.1 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 -34.61 73.18 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.022 -0.535 . . . . 44.12 111.564 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 52.4 mt -67.45 -39.74 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.839 -0.43 . . . . 74.1 109.839 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -63.47 -46.03 88.06 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 74.41 108.565 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 34.0 mm-40 -62.51 -47.11 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.756 -1.111 . . . . 73.34 110.347 -177.007 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.32 -42.85 82.65 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 115.739 -0.664 . . . . 72.24 109.98 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.64 97.47 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.427 -0.806 . . . . 55.42 110.914 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -72.33 -30.21 64.54 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 111.762 0.282 . . . . 75.42 111.762 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.992 -0.373 . . . . 72.23 109.992 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.26 -0.427 . . . . 73.13 111.674 177.683 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 110.089 -0.774 . . . . 70.14 110.089 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.947 0.499 . . . . 65.11 110.138 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.94 -37.54 87.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.298 -0.865 . . . . 73.04 109.572 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -70.85 -38.08 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.868 -0.606 . . . . 75.14 110.337 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.23 -43.75 98.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.656 -0.498 . . . . 72.52 109.656 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.75 -42.41 97.34 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.62 -0.718 . . . . 71.13 109.597 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.89 96.32 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.244 -0.889 . . . . 65.05 110.833 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -61.97 -42.65 99.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.149 0.579 . . . . 43.41 110.689 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -70.9 -28.56 64.63 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.906 -0.588 . . . . 71.51 111.878 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.027 0 CA-C-N 116.531 -0.304 . . . . 64.13 111.417 177.748 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.7 ttm . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 107.912 -1.144 . . . . 63.23 107.912 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m 72.83 -46.92 0.66 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.334 1.054 . . . . 74.13 113.331 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.11 45.95 1.8 Allowed Glycine 0 N--CA 1.429 -1.778 0 N-CA-C 109.235 -1.546 . . . . 72.12 109.235 -175.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -66.1 140.89 58.26 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 123.424 0.69 . . . . 73.33 111.749 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.13 87.83 1.09 Allowed Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 109.297 -1.521 . . . . 71.44 109.297 175.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? 63.56 70.82 0.51 Allowed 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 124.372 1.069 . . . . 64.41 110.01 -174.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.52 -37.2 85.08 Favored Glycine 0 CA--C 1.495 -1.162 0 N-CA-C 109.562 -1.415 . . . . 75.41 109.562 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 66.35 -178.59 0.2 Allowed 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.705 1.202 . . . . 73.14 112.057 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.34 83.92 0.05 OUTLIER Glycine 0 N--CA 1.428 -1.852 0 N-CA-C 110.702 -0.959 . . . . 70.43 110.702 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.94 115.83 14.02 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.017 -0.734 . . . . 62.02 109.017 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mm -115.62 146.02 20.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 N-CA-C 106.625 -1.62 . . . . 71.24 106.625 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . 0.267 4.1 m-20 -84.95 71.71 10.89 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 122.431 1.11 . . . . 43.31 111.891 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.3 mtm-85 -179.58 151.09 0.44 Allowed 'General case' 0 CA--C 1.473 -2.005 0 C-N-CA 129.896 3.279 . . . . 74.24 104.762 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.78 115.5 14.44 Favored 'General case' 0 C--N 1.282 -2.369 0 CA-C-O 121.521 0.677 . . . . 34.51 111.783 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.543 ' O ' HG13 ' A' ' 83' ' ' ILE . 84.2 mm-40 -112.49 -18.68 12.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.214 -0.903 . . . . 73.44 111.551 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 m -56.82 -44.42 82.01 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.585 0.587 . . . . 71.45 112.585 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.12 99.37 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.07 0.462 . . . . 74.32 110.336 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.57 77.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.132 -0.94 . . . . 75.54 110.909 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.2 mt -60.44 -44.06 95.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 109.438 -0.578 . . . . 62.14 109.438 176.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -64.76 -43.55 92.93 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.961 -0.563 . . . . 74.3 111.079 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.9 -39.7 79.58 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 116.644 -0.253 . . . . 75.32 111.656 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -63.57 -39.8 95.32 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.265 0.555 . . . . 74.4 109.675 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.05 76.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.57 -0.741 . . . . 73.35 109.758 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -60.65 -41.51 95.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.297 -0.411 . . . . 73.11 110.525 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -58.96 -39.14 80.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.483 1.113 . . . . 74.12 111.059 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -85.63 -17.71 35.36 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.279 0.474 . . . . 63.1 112.279 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.59 13.12 Favored Glycine 0 N--CA 1.44 -1.094 0 C-N-CA 120.944 -0.646 . . . . 64.42 111.558 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -81.06 164.86 22.15 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-O 121.026 0.441 . . . . 54.22 110.113 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -89.06 78.31 7.45 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 122.025 0.917 . . . . 73.04 110.412 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.71 151.59 27.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 104.452 -2.425 . . . . 71.3 104.452 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m 79.68 -39.22 0.2 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.646 1.178 . . . . 64.32 110.171 -176.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.0 p -86.96 -12.41 47.65 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-O 122.439 1.114 . . . . 40.34 107.997 173.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -123.7 147.72 47.19 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 106.572 -1.64 . . . . 71.41 106.572 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.76 154.1 43.09 Favored Glycine 0 C--O 1.254 1.382 0 O-C-N 123.862 0.726 . . . . 61.2 111.838 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 63.23 -173.4 0.16 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.993 0.917 . . . . 75.34 111.694 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt -118.63 120.18 31.98 Favored Pre-proline 0 C--N 1.297 -1.717 0 N-CA-C 106.187 -1.783 . . . . 64.3 106.187 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.7 128.25 27.49 Favored 'Trans proline' 0 C--O 1.24 0.589 0 C-N-CA 122.052 1.835 . . . . 71.3 111.321 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.3 71.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.935 -0.575 . . . . 64.31 110.075 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.02 -32.07 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 63.04 110.088 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.75 -39.56 60.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.04 110.248 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.026 -0.731 . . . . 72.15 109.026 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.817 -1.083 . . . . 71.21 110.256 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.91 93.75 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.563 -0.744 . . . . 44.12 110.431 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.469 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.0 t80 -58.23 -43.31 87.67 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.194 0.997 . . . . 72.43 110.635 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 61.6 m80 -72.52 -39.87 67.25 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.451 -0.795 . . . . 72.31 112.562 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.16 -34.82 68.77 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 120.758 0.314 . . . . 64.33 111.749 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.98 114.94 8.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.511 0.672 . . . . 71.34 112.253 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--N 1.29 -2.013 0 CA-C-N 115.074 -0.966 . . . . 72.15 108.999 176.753 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 CA--C 1.51 -0.56 0 N-CA-C 108.285 -1.005 . . . . 51.25 108.285 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.1 p 59.63 -70.79 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.722 1.749 . . . . 72.42 115.722 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.17 -179.63 52.7 Favored Glycine 0 C--O 1.247 0.968 0 C-N-CA 121.669 -0.3 . . . . 45.54 113.089 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.2 m -158.44 146.67 18.49 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.088 -1.078 . . . . 73.32 108.088 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.12 164.55 40.58 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.679 -0.772 . . . . 73.23 112.589 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -102.09 -47.03 4.67 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.202 -1.036 . . . . 65.12 108.202 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.33 -69.79 2.52 Favored Glycine 0 N--CA 1.428 -1.89 0 CA-C-N 115.171 -0.922 . . . . 63.33 111.342 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -137.49 168.62 19.29 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 108.537 -0.912 . . . . 72.41 108.537 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.62 -154.2 17.09 Favored Glycine 0 N--CA 1.427 -1.927 0 C-N-CA 120.954 -0.641 . . . . 64.41 112.207 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -120.04 144.32 47.62 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 107.485 -1.302 . . . . 75.33 107.485 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -130.41 124.42 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 N-CA-C 108.667 -0.864 . . . . 70.12 108.667 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -148.63 133.72 18.23 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.479 -0.563 . . . . 63.21 109.479 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.535 ' HD3' ' H ' ' A' ' 78' ' ' GLU . 16.7 tpp180 -169.68 161.53 9.37 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.351 -0.981 . . . . 65.31 108.351 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.535 ' H ' ' HD3' ' A' ' 77' ' ' ARG . 36.1 tt0 -50.17 -35.29 25.55 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 126.308 1.843 . . . . 72.34 111.243 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.36 92.67 2.32 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.825 -1.176 . . . . 72.32 107.825 171.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 -43.9 0.52 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 115.486 -0.779 . . . . 63.24 110.325 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.61 -33.0 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.278 -1.008 . . . . 71.22 108.278 173.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.17 -37.26 79.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.575 -1.193 . . . . 74.35 110.286 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 108' ' ' TYR . 49.8 mt -64.93 -41.11 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.047 -0.723 . . . . 73.31 109.047 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -62.87 -41.25 99.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.155 -0.93 . . . . 73.55 110.242 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.15 -46.21 81.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.241 0.543 . . . . 65.31 110.135 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.12 -43.11 91.92 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.479 -0.782 . . . . 74.45 110.14 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.84 99.18 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.327 -0.851 . . . . 53.44 110.374 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -68.12 -37.2 80.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.683 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -63.94 -45.35 89.56 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.619 0.247 . . . . 74.11 111.185 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -72.22 -32.15 66.5 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.213 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.47 16.35 34.73 Favored Glycine 0 N--CA 1.428 -1.856 0 N-CA-C 111.124 -0.79 . . . . 72.13 111.124 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -73.49 -37.23 65.79 Favored 'General case' 0 CA--C 1.492 -1.267 0 N-CA-C 106.861 -1.533 . . . . 73.03 106.861 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 70.24 177.35 0.27 Allowed 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 112.946 -1.934 . . . . 61.22 109.013 -173.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 99' ' ' ARG . 22.9 t -111.54 -87.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 C-N-CA 119.336 -0.946 . . . . 61.34 109.509 -176.154 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 99' ' ' ARG . 71.1 m -175.85 107.48 0.08 Allowed 'General case' 0 C--O 1.253 1.238 0 N-CA-C 105.72 -1.955 . . . . 70.41 105.72 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 p -64.74 82.02 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.825 0.821 . . . . 53.1 112.773 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -170.45 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 128.366 2.666 . . . . 73.14 105.851 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.0 27.47 4.55 Favored Glycine 0 N--CA 1.438 -1.171 0 N-CA-C 109.586 -1.406 . . . . 44.52 109.586 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.456 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.7 tmt_? -108.46 123.37 48.76 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 106.693 -1.595 . . . . 64.11 106.693 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.4 mt -101.5 120.01 55.82 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 109.456 -0.572 . . . . 62.04 109.456 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.464 ' O ' HG13 ' A' ' 105' ' ' ILE . 21.8 Cg_exo -66.81 124.32 12.16 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.589 2.192 . . . . 52.41 111.797 176.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -27.85 68.33 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.184 0.516 . . . . 60.42 109.704 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.55 -44.9 93.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.041 -0.982 . . . . 74.41 109.376 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.6 -34.79 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.092 -0.958 . . . . 61.12 110.247 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 101' ' ' PRO . 66.0 mt -64.71 -43.98 96.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.705 -0.679 . . . . 72.22 110.542 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.54 -40.29 95.32 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.262 0.553 . . . . 63.21 109.676 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.92 88.18 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.493 -0.776 . . . . 61.34 109.929 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.481 ' CD1' HG12 ' A' ' 83' ' ' ILE . 74.7 t80 -56.26 -52.64 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 124.152 0.981 . . . . 74.34 111.348 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -63.43 -34.18 77.17 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.55 0.574 . . . . 74.33 112.55 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.81 -14.58 36.69 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.894 0.702 . . . . 73.41 112.894 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.4 137.62 33.29 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 113.689 0.996 . . . . 22.53 113.689 -177.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 C--N 1.3 -1.544 0 N-CA-C 107.296 -1.372 . . . . 74.02 107.296 173.295 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 112.366 0.506 . . . . 54.33 112.366 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 p -90.55 118.31 29.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.226 0.536 . . . . 60.21 111.321 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.86 -165.87 30.26 Favored Glycine 0 N--CA 1.426 -1.99 0 N-CA-C 110.814 -0.915 . . . . 53.3 110.814 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.5 m 70.54 -62.97 0.42 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.037 1.335 . . . . 52.15 112.326 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.65 -133.88 16.55 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 110.465 -1.054 . . . . 55.43 110.465 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -138.03 152.53 48.94 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 110.165 -0.309 . . . . 70.32 110.165 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.7 -27.18 20.48 Favored Glycine 0 N--CA 1.438 -1.202 0 C-N-CA 120.806 -0.711 . . . . 74.24 111.975 -174.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -109.02 151.53 26.23 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 120.383 -0.527 . . . . 65.23 111.016 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.13 -12.77 55.97 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.903 -0.879 . . . . 63.11 110.903 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.28 121.62 13.99 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 107.8 -1.185 . . . . 71.11 107.8 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 81.5 mt -118.81 131.54 71.31 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 CA-C-O 121.073 0.463 . . . . 73.51 110.529 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -165.61 101.49 0.7 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 114.294 -1.321 . . . . 72.22 107.718 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -169.99 -65.99 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.991 -1.004 . . . . 75.44 108.571 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -93.22 -49.58 5.9 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.759 -0.655 . . . . 61.25 109.618 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -137.68 146.9 44.37 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 109.139 -0.689 . . . . 74.51 109.139 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.3 p -160.13 -46.63 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 124.079 0.862 . . . . 73.31 110.327 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.11 78.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.088 -0.505 . . . . 51.32 110.895 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.91 77.49 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.992 -0.549 . . . . 64.42 110.337 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.7 mt -68.15 -39.72 81.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.906 -0.775 . . . . 63.24 108.906 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 61.8 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.67 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.698 -0.683 . . . . 63.32 111.287 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.454 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 74.7 t90 -61.35 -37.99 85.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.676 0.75 . . . . 74.12 109.624 176.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.14 96.01 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.471 -0.786 . . . . 62.15 110.52 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.538 ' HA ' ' OD1' ' A' ' 93' ' ' ASN . 24.2 mtp180 -67.36 -37.71 83.64 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.447 0.642 . . . . 74.01 110.144 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 50.3 ttt180 -57.81 -43.5 85.73 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.778 -1.101 . . . . 74.11 110.61 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -78.98 -36.14 41.87 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.039 -0.528 . . . . 44.31 112.346 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 118.7 6.37 11.53 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.0 -1.095 . . . . 70.14 112.834 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -73.59 -40.09 64.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.5 -1.667 . . . . 74.4 106.5 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.538 ' OD1' ' HA ' ' A' ' 88' ' ' ARG . 90.4 m-20 61.53 88.92 0.08 Allowed 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 113.691 -1.595 . . . . 75.42 113.605 177.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.8 t -97.8 82.51 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 N-CA-C 107.715 -1.217 . . . . 74.23 107.715 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.7 m -149.38 32.07 0.73 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.316 -1.311 . . . . 64.35 107.867 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 p -89.66 16.74 7.36 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.332 -1.304 . . . . 65.42 109.798 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.52 74.37 0.4 Allowed 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 125.383 1.473 . . . . 65.23 110.499 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.7 -145.68 6.22 Favored Glycine 0 N--CA 1.424 -2.143 0 C-N-CA 118.875 -1.631 . . . . 41.11 113.628 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -89.23 167.58 12.97 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 123.097 0.559 . . . . 71.22 110.339 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.1 mt -100.28 127.28 33.54 Favored Pre-proline 0 N--CA 1.432 -1.364 0 N-CA-C 108.703 -0.851 . . . . 72.3 108.703 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.16 131.1 41.39 Favored 'Trans proline' 0 CA--C 1.514 -0.509 0 C-N-CA 123.047 2.498 . . . . 64.12 112.705 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.69 -39.87 59.06 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.333 1.053 . . . . 30.43 110.062 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.18 -47.18 78.82 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 114.801 -1.09 . . . . 70.03 110.702 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.74 -41.02 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.45 0.469 . . . . 50.1 110.447 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.45 -48.59 86.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.725 -0.671 . . . . 65.32 110.549 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.93 -40.67 95.4 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.299 -0.41 . . . . 74.45 110.282 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.97 89.41 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.604 -0.726 . . . . 71.52 110.534 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.59 -42.33 96.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 62.11 109.775 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 67.1 m80 -75.39 -24.59 57.23 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.364 -0.834 . . . . 72.31 112.19 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.39 -36.87 18.92 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 111.988 0.366 . . . . 62.12 111.988 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.73 132.45 38.14 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 120.956 0.408 . . . . 52.03 111.346 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.298 -1.658 0 N-CA-C 108.835 -0.802 . . . . 72.0 108.835 177.827 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 46.2 ttm . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 108.526 -0.916 . . . . 65.41 108.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.6 m -75.78 91.63 2.96 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 121.885 0.85 . . . . 64.15 111.427 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.93 -54.57 0.03 OUTLIER Glycine 0 C--N 1.296 -1.678 0 N-CA-C 106.854 -2.499 . . . . 72.55 106.854 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.3 m -94.43 125.77 39.29 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 105.754 -1.943 . . . . 74.42 105.754 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.25 39.68 18.41 Favored Glycine 0 C--O 1.248 1.003 0 N-CA-C 108.85 -1.7 . . . . 62.23 108.85 -173.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -78.34 150.68 33.18 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.262 -0.969 . . . . 72.4 111.521 -176.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.59 141.59 5.48 Favored Glycine 0 N--CA 1.416 -2.686 0 N-CA-C 110.117 -1.193 . . . . 71.32 110.117 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -117.18 1.93 12.55 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 109.277 -0.638 . . . . 71.2 109.277 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.55 -60.73 1.5 Allowed Glycine 0 N--CA 1.439 -1.155 0 N-CA-C 108.289 -1.924 . . . . 74.01 108.289 -173.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.07 146.57 52.41 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 105.375 -2.083 . . . . 64.43 105.375 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.8 mt -69.88 115.69 9.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 CA-C-O 121.969 0.89 . . . . 75.04 111.074 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -140.69 138.22 34.11 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 114.038 -1.437 . . . . 72.41 108.91 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -139.19 160.46 39.75 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 116.583 -0.28 . . . . 72.42 110.903 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 73.68 -38.72 0.41 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.393 1.477 . . . . 72.53 114.502 172.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.615 ' O ' HG13 ' A' ' 83' ' ' ILE . 33.0 mt-30 -66.58 -25.5 66.66 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 112.216 0.451 . . . . 73.41 112.216 -174.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 m -68.77 -32.05 71.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.356 0.598 . . . . 71.24 110.092 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.08 -35.87 61.78 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.608 -0.886 . . . . 73.25 108.608 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.96 -32.97 74.7 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.952 -1.022 . . . . 73.2 110.208 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.2 mt -60.11 -44.12 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.954 -0.758 . . . . 53.12 108.954 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.07 -44.9 94.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.161 -0.927 . . . . 71.32 110.257 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.33 -32.15 66.27 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.914 0.709 . . . . 63.11 112.914 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -64.33 -40.41 95.84 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.702 0.763 . . . . 65.32 108.96 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.91 87.47 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.311 -0.858 . . . . 73.23 109.44 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -63.28 -34.89 78.67 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.371 0.508 . . . . 60.44 112.371 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -60.93 -39.35 89.11 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.281 0.632 . . . . 64.4 109.333 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -79.37 -31.3 42.87 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.286 -0.87 . . . . 72.02 111.0 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.16 28.87 5.07 Favored Glycine 0 C--N 1.308 -0.982 0 CA-C-N 115.721 -0.672 . . . . 53.52 112.359 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -80.64 167.1 20.44 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.524 -0.547 . . . . 73.14 109.524 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -91.03 23.66 3.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.169 0.509 . . . . 43.32 110.993 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.64 125.86 39.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 108.572 -0.899 . . . . 73.42 108.572 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.1 t -77.46 151.96 34.44 Favored 'General case' 0 N--CA 1.417 -2.123 0 CA-C-O 121.421 0.629 . . . . 62.42 109.939 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 p -73.38 -19.16 61.06 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 114.934 -1.03 . . . . 64.31 110.272 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -143.26 88.71 2.04 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.844 -0.798 . . . . 72.01 108.844 178.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.86 -137.75 3.17 Favored Glycine 0 N--CA 1.435 -1.42 0 N-CA-C 110.722 -0.951 . . . . 64.0 110.722 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -98.96 137.52 37.38 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.996 -0.372 . . . . 61.22 109.996 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.7 mt -102.15 119.86 55.31 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 109.405 -0.591 . . . . 74.31 109.405 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -59.49 127.52 24.08 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.803 2.336 . . . . 74.41 112.073 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.63 71.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.498 -0.774 . . . . 74.12 110.239 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.096 -0.956 . . . . 71.43 110.71 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 t -71.82 -35.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 CA-C-N 115.111 -0.95 . . . . 75.51 110.113 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.21 -43.89 99.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.025 -0.534 . . . . 74.44 109.681 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.0 -45.22 95.7 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.774 -0.648 . . . . 52.31 110.031 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.91 87.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.954 -1.021 . . . . 60.53 110.498 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.465 ' CD1' HG12 ' A' ' 83' ' ' ILE . 76.8 t80 -61.16 -45.71 93.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.992 0.517 . . . . 75.34 110.839 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -69.74 -23.19 63.35 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 113.014 0.746 . . . . 74.2 113.014 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.97 -28.47 24.23 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.956 -0.387 . . . . 73.22 109.956 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.93 157.35 24.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.646 0.736 . . . . 72.14 111.256 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--N 1.288 -2.072 0 N-CA-C 108.741 -0.837 . . . . 64.12 108.741 179.905 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 CA--C 1.511 -0.553 0 N-CA-C 109.309 -0.626 . . . . 53.32 109.309 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.6 t -153.38 172.51 16.96 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 105.631 -1.988 . . . . 73.41 105.631 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.6 52.02 2.75 Favored Glycine 0 N--CA 1.427 -1.951 0 C-N-CA 120.41 -0.9 . . . . 62.05 112.537 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 m -104.59 90.85 3.64 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.477 -0.935 . . . . 62.24 108.477 174.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.11 135.72 8.75 Favored Glycine 0 N--CA 1.439 -1.123 0 N-CA-C 111.051 -0.82 . . . . 62.33 111.051 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -102.68 154.34 19.25 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.124 0.488 . . . . 75.22 111.178 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -157.11 175.79 34.49 Favored Glycine 0 C--N 1.299 -1.515 0 N-CA-C 108.42 -1.872 . . . . 73.2 108.42 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -85.86 93.3 8.88 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 118.394 1.097 . . . . 74.3 110.527 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.77 -23.27 2.64 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 107.883 -2.087 . . . . 62.32 107.883 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.39 79.25 3.45 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 107.2 -1.407 . . . . 61.31 107.2 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.3 mt -84.16 148.1 5.21 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 CA-C-N 113.435 -1.711 . . . . 72.14 108.097 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -75.49 94.49 3.14 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.964 0.888 . . . . 70.41 112.607 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -80.37 -53.0 7.02 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 106.346 -1.724 . . . . 63.41 106.346 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -110.58 119.79 40.29 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 105.87 -1.9 . . . . 72.23 105.87 176.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 83' ' ' ILE . 45.5 mt-30 -85.03 83.45 8.05 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.554 0.946 . . . . 71.54 113.554 -173.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -61.61 -35.12 76.95 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.005 -0.998 . . . . 44.13 111.108 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . -65.11 -45.93 83.14 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 116.052 -0.522 . . . . 73.35 110.811 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.89 81.95 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.304 -0.862 . . . . 73.31 110.866 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 79' ' ' GLN . 77.9 mt -61.66 -44.19 98.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 116.299 -0.41 . . . . 65.43 109.991 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 81' ' ' ALA . 24.8 mtp-105 -62.28 -45.7 92.09 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.928 -0.578 . . . . 75.1 110.34 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.42 -43.55 90.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.392 -0.822 . . . . 72.45 111.826 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -61.66 -44.54 96.77 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.951 0.501 . . . . 73.42 109.988 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -53.09 62.05 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.554 -0.748 . . . . 43.24 111.406 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -68.5 -30.88 69.8 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.008 -0.542 . . . . 75.55 111.341 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -64.38 -44.18 92.17 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.392 -0.595 . . . . 72.22 109.392 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -63.89 -55.49 22.29 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 115.991 -0.55 . . . . 75.23 110.508 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.92 28.79 0.16 Allowed Glycine 0 N--CA 1.427 -1.922 0 CA-C-N 115.15 -0.932 . . . . 40.24 111.873 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -99.0 138.78 35.61 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 105.913 -1.884 . . . . 74.22 105.913 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -90.13 87.25 6.79 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.181 0.515 . . . . 63.22 110.345 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.3 t -106.51 132.81 52.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 N-CA-C 109.206 -0.665 . . . . 21.42 109.206 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.1 t -66.71 161.27 23.86 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 123.141 0.577 . . . . 65.25 110.807 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.9 p -65.01 -45.55 85.05 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 109.403 -0.591 . . . . 74.24 109.403 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -135.92 155.23 50.6 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 115.393 -0.822 . . . . 75.04 109.566 173.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.11 -130.88 3.87 Favored Glycine 0 N--CA 1.43 -1.737 0 N-CA-C 109.387 -1.485 . . . . 50.33 109.387 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -109.55 137.81 46.84 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.347 -0.982 . . . . 71.01 108.347 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.2 mt -100.85 118.93 59.65 Favored Pre-proline 0 C--N 1.291 -1.974 0 N-CA-C 107.777 -1.194 . . . . 62.04 107.777 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.05 122.88 12.6 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.286 1.99 . . . . 63.44 112.003 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.84 -30.74 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.301 -0.863 . . . . 71.22 109.453 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.5 -38.18 90.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.883 -1.053 . . . . 74.21 110.659 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.76 -36.67 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 60.03 109.754 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.4 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.556 -0.747 . . . . 73.24 109.963 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.38 -39.56 94.1 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.384 -0.599 . . . . 51.33 109.384 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.58 93.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.729 -0.668 . . . . 72.24 110.22 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.418 ' CD1' HG12 ' A' ' 83' ' ' ILE . 85.0 t80 -60.63 -47.54 85.76 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.888 0.875 . . . . 64.31 110.402 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -74.55 -17.18 60.77 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.215 -0.902 . . . . 74.0 112.759 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.27 -37.01 12.28 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 111.883 0.327 . . . . 73.12 111.883 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.54 141.32 50.1 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 120.969 0.414 . . . . 72.12 111.407 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--N 1.294 -1.839 0 N-CA-C 108.309 -0.997 . . . . 64.15 108.309 177.435 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 107.117 -1.438 . . . . 74.33 107.117 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.6 m -72.64 89.68 1.33 Allowed 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.726 0.774 . . . . 72.31 111.509 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.86 79.96 1.0 Allowed Glycine 0 N--CA 1.419 -2.477 0 N-CA-C 109.835 -1.306 . . . . 61.23 109.835 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 m -69.28 111.65 5.33 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 108.906 -0.776 . . . . 62.25 108.906 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.4 160.3 28.25 Favored Glycine 0 N--CA 1.422 -2.278 0 N-CA-C 109.852 -1.299 . . . . 71.41 109.852 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -119.23 143.41 47.3 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.363 -0.977 . . . . 74.25 108.363 -178.547 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.51 81.13 0.35 Allowed Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 110.887 -0.885 . . . . 72.13 110.887 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -85.48 91.7 8.3 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.934 0.716 . . . . 74.24 112.934 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.76 -15.38 37.11 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 108.935 -1.666 . . . . 71.43 108.935 172.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.91 158.52 31.78 Favored 'General case' 0 N--CA 1.419 -1.976 0 N-CA-C 106.419 -1.697 . . . . 62.04 106.419 176.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.2 mt -92.57 129.91 42.45 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 N-CA-C 109.6 -0.518 . . . . 71.13 109.6 -176.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -85.76 110.85 19.63 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.949 -0.569 . . . . 62.03 110.553 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -147.71 141.89 26.12 Favored 'General case' 0 CA--C 1.473 -2.014 0 N-CA-C 107.259 -1.385 . . . . 73.4 107.259 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 61.68 99.43 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.954 1.409 . . . . 74.15 111.309 172.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.588 ' O ' HG13 ' A' ' 83' ' ' ILE . 81.7 mt-30 -114.1 74.69 0.88 Allowed 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.627 -0.829 . . . . 63.32 111.479 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 60.5 m -60.64 -38.41 84.72 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 112.517 0.562 . . . . 74.2 112.517 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -67.84 -43.98 78.26 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 120.797 -0.361 . . . . 73.52 110.095 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.99 74.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 73.42 111.447 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 79' ' ' GLN . 75.0 mt -62.55 -46.72 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.471 -0.566 . . . . 64.34 109.471 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 80' ' ' SER . 51.6 mtt180 -61.35 -42.19 98.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.776 -0.647 . . . . 72.01 109.676 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 3.9 mm-40 -69.68 -38.03 76.88 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 115.655 -0.702 . . . . 62.41 111.142 -177.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.466 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 73.8 t90 -64.74 -42.25 95.34 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.748 0.785 . . . . 72.32 109.083 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.57 91.33 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.274 -0.875 . . . . 64.54 110.556 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 85' ' ' GLU . 74.1 mtm180 -75.07 -32.12 61.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.768 0.318 . . . . 75.35 110.907 176.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 61.1 ttt180 -57.04 -43.32 81.86 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.187 1.395 . . . . 71.12 108.948 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -80.23 -57.51 3.58 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.85 -1.068 . . . . 74.32 110.44 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.97 48.78 0.32 Allowed Glycine 0 N--CA 1.435 -1.377 0 N-CA-C 110.473 -1.051 . . . . 75.14 110.473 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -94.21 166.56 12.05 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.553 -0.906 . . . . 73.33 108.553 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -77.78 90.53 4.05 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.132 0.492 . . . . 51.22 110.039 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.3 t -86.45 -54.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.806 -0.634 . . . . 53.1 110.061 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m 61.82 72.38 0.51 Allowed 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 124.175 0.922 . . . . 41.31 109.055 -173.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.4 p -57.35 97.96 0.03 OUTLIER 'General case' 0 C--O 1.247 0.938 0 CA-C-N 113.901 -1.499 . . . . 70.11 113.925 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.4 mtm-85 -148.05 -79.77 0.14 Allowed 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 124.823 1.249 . . . . 65.21 108.093 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.22 35.21 0.4 Allowed Glycine 0 N--CA 1.435 -1.391 0 C-N-CA 120.822 -0.704 . . . . 35.22 111.452 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.64 152.67 41.64 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 122.137 0.175 . . . . 74.25 110.619 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -144.31 132.08 10.65 Favored Pre-proline 0 C--N 1.308 -1.217 0 N-CA-C 107.474 -1.306 . . . . 65.42 107.474 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.95 129.64 35.62 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.981 1.787 . . . . 74.3 110.812 173.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.77 72.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.855 -0.611 . . . . 72.42 109.726 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.76 -37.58 88.08 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.041 -0.981 . . . . 51.42 110.029 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -68.78 -42.73 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 74.34 110.327 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.33 -49.89 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 63.23 110.349 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.78 -37.31 84.33 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.035 -0.53 . . . . 65.42 110.778 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.59 98.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.738 -0.664 . . . . 72.54 109.887 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.464 ' CD2' HG12 ' A' ' 83' ' ' ILE . 61.2 t80 -59.32 -45.21 91.97 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.632 0.773 . . . . 70.11 110.694 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -70.06 -24.23 63.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.983 -0.553 . . . . 74.33 112.264 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.23 -21.59 25.75 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.096 0.474 . . . . 44.14 110.708 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -88.7 157.33 18.57 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.542 0.687 . . . . 74.0 112.557 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--N 1.301 -1.509 0 N-CA-C 106.694 -1.595 . . . . 73.15 106.694 174.192 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 55.9 mtt . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 108.71 -0.848 . . . . 54.34 108.71 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.1 p -129.24 -43.54 1.3 Allowed 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 121.258 0.551 . . . . 74.32 110.067 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.22 -155.84 46.28 Favored Glycine 0 N--CA 1.425 -2.098 0 CA-C-N 115.173 -0.921 . . . . 44.14 110.816 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.7 p -119.75 144.72 47.12 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 108.893 -0.781 . . . . 60.14 108.893 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.23 -42.65 18.43 Favored Glycine 0 N--CA 1.436 -1.365 0 N-CA-C 107.524 -2.23 . . . . 74.54 107.524 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 56.67 93.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.603 1.561 . . . . 73.33 113.355 172.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 141.89 -82.89 0.22 Allowed Glycine 0 N--CA 1.428 -1.899 0 N-CA-C 109.227 -1.549 . . . . 44.33 109.227 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -77.88 -34.56 51.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.077 -0.712 . . . . 75.04 109.077 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.99 -142.29 10.7 Favored Glycine 0 N--CA 1.425 -2.062 0 N-CA-C 108.315 -1.914 . . . . 62.34 108.315 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.42 144.03 32.91 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.984 -0.747 . . . . 75.01 108.984 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.5 mt -85.41 116.03 28.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.298 -1.371 . . . . 41.31 107.298 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' A' ' 77' ' ' ARG . 14.4 t70 -112.41 -166.84 1.11 Allowed 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.257 -174.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.486 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 37.5 mtt180 -95.58 -170.72 2.21 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 123.926 0.89 . . . . 63.51 111.463 -173.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -111.53 132.94 54.16 Favored 'General case' 0 N--CA 1.398 -3.046 0 CA-C-N 114.068 -1.424 . . . . 71.13 107.792 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -88.8 56.22 3.66 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.905 0.859 . . . . 73.21 110.109 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -51.34 -45.04 62.2 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 126.083 1.753 . . . . 60.12 112.404 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -56.83 -46.6 81.57 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.783 0.433 . . . . 72.02 111.148 178.595 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.76 76.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.565 . . . . 43.22 110.64 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.75 -39.91 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.848 -0.615 . . . . 61.24 109.569 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.13 -38.37 78.8 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.913 0.387 . . . . 74.41 109.959 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 30.6 mm-40 -64.05 -44.2 93.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.914 -0.585 . . . . 64.1 110.019 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.78 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.585 0.754 . . . . 62.2 110.152 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.43 85.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.073 -0.512 . . . . 73.35 110.574 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -70.54 -31.34 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.95 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.09 -39.56 92.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.898 -0.778 . . . . 73.31 108.898 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -76.03 -55.4 5.63 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.88 -0.6 . . . . 65.53 110.629 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.79 26.95 0.56 Allowed Glycine 0 C--N 1.299 -1.488 0 C-N-CA 120.648 -0.787 . . . . 71.24 111.92 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -89.93 141.5 28.6 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 105.584 -2.006 . . . . 74.51 105.584 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.87 59.46 4.85 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 122.077 0.941 . . . . 65.2 112.206 -174.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.7 t -95.42 116.73 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 N-CA-C 106.427 -1.694 . . . . 62.15 106.427 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.3 t -100.54 177.4 5.03 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 121.17 0.509 . . . . 62.52 110.881 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.2 p -74.07 -44.35 54.4 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 124.146 0.978 . . . . 63.22 108.893 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.65 94.67 9.14 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.929 -1.138 . . . . 74.44 107.929 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.5 174.96 27.88 Favored Glycine 0 N--CA 1.425 -2.078 0 C-N-CA 120.775 -0.726 . . . . 44.54 111.323 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 100' ' ' ILE . 8.7 ttm180 -85.81 151.13 24.06 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 123.456 0.702 . . . . 61.43 109.802 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.462 ' N ' ' HG2' ' A' ' 99' ' ' ARG . 68.7 mt -87.61 118.03 69.28 Favored Pre-proline 0 C--N 1.304 -1.381 0 N-CA-C 107.343 -1.354 . . . . 75.42 107.343 170.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.23 129.48 31.73 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.106 1.871 . . . . 73.33 111.904 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.17 -33.15 68.91 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 123.502 0.721 . . . . 34.12 109.777 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.97 -40.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.361 -0.836 . . . . 62.31 109.47 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.55 -40.67 82.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.51 -0.768 . . . . 53.53 110.501 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.3 mt -60.79 -48.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.914 0.387 . . . . 73.01 110.241 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.08 -38.48 88.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.338 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.8 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.015 -0.538 . . . . 23.05 109.897 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.59 -48.04 80.48 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.762 0.825 . . . . 73.14 110.729 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -71.56 -26.16 62.51 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 112.808 0.669 . . . . 72.33 112.808 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -90.78 -29.04 17.84 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.899 0.703 . . . . 55.2 112.899 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.91 135.94 33.13 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.083 0.468 . . . . 63.53 111.446 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--N 1.31 -1.151 0 CA-C-N 115.918 -0.583 . . . . 60.41 109.802 179.259 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.51 -0.576 0 N-CA-C 108.18 -1.044 . . . . 43.44 108.18 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -76.57 138.72 40.35 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 110.012 -0.366 . . . . 71.32 110.012 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.2 34.63 2.11 Favored Glycine 0 N--CA 1.436 -1.34 0 C-N-CA 121.039 -0.601 . . . . 74.31 111.604 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.9 m -137.16 98.85 3.84 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.654 -0.499 . . . . 74.3 109.654 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.39 80.35 1.79 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.203 -0.523 . . . . 53.53 113.686 -176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.6 105.36 2.98 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.491 -0.559 . . . . 63.12 109.491 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -123.81 7.04 8.9 Favored Glycine 0 C--N 1.312 -0.753 0 N-CA-C 111.409 -0.676 . . . . 61.04 111.409 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -122.42 -172.8 2.54 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.446 -0.576 . . . . 74.22 109.446 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.49 50.01 2.45 Favored Glycine 0 N--CA 1.426 -2.008 0 N-CA-C 108.407 -1.877 . . . . 75.54 108.407 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.47 155.34 26.58 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 108.921 -0.77 . . . . 53.23 108.921 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.0 mm -101.9 158.84 4.32 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.529 0 N-CA-C 109.01 -0.737 . . . . 50.33 109.01 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.89 131.72 38.73 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.054 0.454 . . . . 73.22 110.24 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 179.79 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 105.588 -2.005 . . . . 74.35 105.588 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -133.3 110.64 10.21 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 114.231 -1.349 . . . . 71.43 108.232 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 83' ' ' ILE . 49.3 mt-30 -112.15 77.82 1.07 Allowed 'General case' 0 C--N 1.291 -1.975 0 CA-C-O 122.119 0.962 . . . . 72.44 109.961 173.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 p -68.65 -33.89 74.78 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 113.815 -1.538 . . . . 54.1 111.6 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -64.99 -42.67 94.31 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 109.62 -0.511 . . . . 74.11 109.62 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.91 97.05 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.181 0.515 . . . . 73.51 110.74 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.2 mt -63.71 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.51 -0.768 . . . . 63.22 109.75 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.34 -35.62 78.04 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.446 -0.343 . . . . 74.13 111.327 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 8.9 mm-40 -62.84 -45.98 90.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.064 0.459 . . . . 64.32 110.288 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -64.64 -41.15 96.35 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-O 121.586 0.708 . . . . 74.12 109.686 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.68 93.66 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.163 -0.926 . . . . 73.42 110.605 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -68.58 -31.42 70.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.699 0.259 . . . . 71.24 111.699 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -61.07 -45.51 94.43 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.383 -0.599 . . . . 74.02 109.383 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -73.09 -35.36 66.6 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.382 -0.826 . . . . 75.54 111.176 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.03 31.08 5.49 Favored Glycine 0 N--CA 1.425 -2.079 0 C-N-CA 120.968 -0.634 . . . . 73.15 111.63 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -82.42 149.83 27.43 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.321 -1.362 . . . . 72.33 107.321 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -78.43 72.82 4.98 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 112.164 0.431 . . . . 73.13 112.164 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.6 t -134.44 10.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 106.829 -1.545 . . . . 64.01 106.829 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -60.86 -72.31 0.12 Allowed 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.07 -1.423 . . . . 74.32 112.952 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 p -96.69 -2.87 43.65 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.733 -0.605 . . . . 73.21 112.182 -177.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -110.9 115.13 28.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.587 -0.894 . . . . 73.12 108.587 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.05 1.61 73.93 Favored Glycine 0 C--O 1.24 0.522 0 N-CA-C 116.198 1.239 . . . . 72.31 116.198 -170.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' HD3' ' C ' ' A' ' 99' ' ' ARG . 1.9 tmt_? -87.48 110.4 20.28 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.558 -1.275 . . . . 74.4 107.558 176.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -87.34 126.12 63.47 Favored Pre-proline 0 C--N 1.3 -1.576 0 N-CA-C 109.99 -0.374 . . . . 74.12 109.99 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.76 132.53 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.508 2.139 . . . . 64.32 111.07 172.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.69 71.63 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.688 -0.856 . . . . 52.04 108.688 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.05 -43.22 91.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.405 -1.271 . . . . 72.35 109.581 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.59 -40.35 81.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.858 -0.61 . . . . 73.34 110.157 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.26 -44.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.044 -0.525 . . . . 63.52 110.262 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.27 -40.83 96.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.123 -0.489 . . . . 75.34 110.055 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 74.24 110.453 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.19 -42.49 99.33 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 124.056 0.942 . . . . 72.23 110.938 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.0 m80 -75.32 -27.08 59.12 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.87 -0.605 . . . . 74.22 112.32 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.54 -36.75 28.75 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.472 -0.331 . . . . 73.42 111.384 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.48 109.65 10.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.404 0.621 . . . . 62.5 110.977 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--N 1.3 -1.562 0 CA-C-N 115.895 -0.593 . . . . 75.5 110.107 -179.247 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.699 0 N-CA-C 109.317 -0.623 . . . . 54.01 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 m -121.5 147.93 45.13 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 110.145 -0.317 . . . . 63.12 110.145 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.45 -162.28 18.44 Favored Glycine 0 N--CA 1.434 -1.499 0 N-CA-C 111.189 -0.764 . . . . 60.34 111.189 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.9 p -119.38 171.38 8.37 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.847 -0.427 . . . . 62.13 109.847 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.33 125.07 3.9 Favored Glycine 0 N--CA 1.432 -1.567 0 N-CA-C 110.605 -0.998 . . . . 44.13 110.605 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -130.89 157.33 43.21 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.094 -0.706 . . . . 61.3 109.094 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.45 -29.88 0.95 Allowed Glycine 0 CA--C 1.496 -1.125 0 C-N-CA 120.013 -1.089 . . . . 65.24 112.619 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 99.1 mtt180 63.66 -86.56 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.697 1.199 . . . . 71.51 111.644 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.67 111.58 3.59 Favored Glycine 0 N--CA 1.42 -2.392 0 C-N-CA 120.603 -0.808 . . . . 73.05 111.506 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.62 109.22 21.88 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 105.64 -1.985 . . . . 72.11 105.64 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.472 HG22 ' HD3' ' A' ' 77' ' ' ARG . 40.3 mt -115.25 107.51 22.96 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.571 0 N-CA-C 108.686 -0.857 . . . . 74.24 108.686 -174.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.549 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 24.7 t70 -94.72 101.78 13.63 Favored 'General case' 0 C--N 1.277 -2.563 0 CA-C-O 121.83 0.824 . . . . 54.22 111.336 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.549 ' HD2' ' O ' ' A' ' 76' ' ' ASP . 2.1 mpt_? -123.98 159.89 28.79 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 107.263 -1.384 . . . . 75.44 107.263 174.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.1 -48.79 74.77 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.277 -1.379 . . . . 60.41 107.277 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -115.37 93.68 4.39 Favored 'General case' 0 N--CA 1.42 -1.932 0 CA-C-N 115.085 -0.961 . . . . 73.24 110.302 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.3 p -114.0 -34.09 5.52 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.205 0.526 . . . . 51.3 110.316 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.18 72.23 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.825 -0.806 . . . . 61.24 108.825 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.54 71.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.537 -0.756 . . . . 63.34 110.759 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 108' ' ' TYR . 60.4 mt -69.95 -43.76 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.754 -0.832 . . . . 73.25 108.754 177.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.59 -39.61 80.85 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.822 -0.627 . . . . 73.02 110.362 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 22.9 mm-40 -60.61 -58.39 8.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.439 -0.8 . . . . 65.23 110.059 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -53.94 -41.45 67.75 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.977 0.911 . . . . 72.54 110.916 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.01 75.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 62.32 110.585 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.484 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -71.02 -24.81 62.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.601 0.223 . . . . 72.1 111.601 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 83.1 mtt180 -67.52 -43.12 81.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.648 -0.501 . . . . 75.21 109.648 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -74.97 -46.24 36.7 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.866 -0.606 . . . . 60.22 110.968 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.49 34.38 0.87 Allowed Glycine 0 N--CA 1.432 -1.596 0 CA-C-N 115.692 -0.686 . . . . 52.24 111.912 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 15.8 m170 -98.63 142.77 29.78 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 106.641 -1.615 . . . . 71.32 106.641 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -93.17 114.35 26.82 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 112.799 0.666 . . . . 74.4 112.799 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.82 144.37 9.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 106.746 -1.575 . . . . 72.04 106.746 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 99' ' ' ARG . 7.7 m -68.57 111.02 4.5 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 110.523 -0.177 . . . . 64.43 110.523 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.8 p -68.8 -22.63 64.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.554 0.692 . . . . 72.21 110.782 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -71.19 -14.56 62.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.974 -1.012 . . . . 74.15 110.185 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 72' ' ' ARG . . . 110.93 96.5 2.36 Favored Glycine 0 N--CA 1.43 -1.765 0 CA-C-N 115.878 -0.601 . . . . 74.4 111.611 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.404 ' HB3' ' HB2' ' A' ' 95' ' ' SER . 9.5 ttp180 173.48 127.15 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.007 1.323 . . . . 73.43 108.018 174.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -103.73 116.59 61.56 Favored Pre-proline 0 C--N 1.3 -1.578 0 N-CA-C 107.186 -1.412 . . . . 62.44 107.186 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.81 123.29 13.2 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 121.822 1.681 . . . . 70.33 111.773 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.57 72.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.357 -0.838 . . . . 75.13 109.527 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -41.83 91.07 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.185 -0.916 . . . . 73.41 109.428 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.28 -40.32 82.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 115.655 -0.702 . . . . 63.43 110.437 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.36 -47.33 92.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.266 -0.425 . . . . 70.22 110.597 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.56 -43.7 93.07 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.304 -0.407 . . . . 64.54 110.134 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.89 89.2 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.516 0.51 . . . . 41.01 110.624 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.419 ' CD2' HG12 ' A' ' 83' ' ' ILE . 86.6 t80 -61.52 -42.14 98.36 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.343 0.657 . . . . 61.44 111.028 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -76.19 -27.77 57.02 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.472 0.545 . . . . 63.4 112.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.72 -36.75 23.46 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 111.985 0.365 . . . . 44.44 111.985 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.05 141.58 28.56 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.204 0.526 . . . . 53.35 111.04 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--N 1.292 -1.919 0 N-CA-C 108.026 -1.101 . . . . 72.3 108.026 178.68 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 59.2 mtt . . . . . 0 CA--C 1.516 -0.357 0 N-CA-C 108.665 -0.865 . . . . 74.11 108.665 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.5 m 70.54 96.9 0.07 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.533 1.133 . . . . 44.11 112.122 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.83 -111.02 3.22 Favored Glycine 0 N--CA 1.435 -1.376 0 N-CA-C 111.141 -0.784 . . . . 74.33 111.141 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m -90.3 109.63 20.72 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 109.271 -0.64 . . . . 74.0 109.271 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.38 46.47 0.14 Allowed Glycine 0 C--N 1.314 -0.646 0 C-N-CA 120.363 -0.922 . . . . 42.4 112.479 -177.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -126.52 30.73 5.49 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.192 0.52 . . . . 71.14 109.742 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.05 88.34 1.58 Allowed Glycine 0 N--CA 1.429 -1.796 0 N-CA-C 109.188 -1.565 . . . . 54.42 109.188 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -108.06 -14.41 14.74 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.205 0.526 . . . . 73.22 111.301 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.93 66.03 2.55 Favored Glycine 0 N--CA 1.438 -1.22 0 C-N-CA 120.507 -0.854 . . . . 75.43 113.956 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.93 30.03 4.27 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 122.332 1.063 . . . . 72.12 110.066 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 mm -74.56 157.09 6.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 CA-C-N 113.544 -1.662 . . . . 63.43 107.291 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.51 134.85 57.06 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.349 -0.611 . . . . 65.25 109.349 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -111.11 151.77 27.73 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 114.672 1.36 . . . . 72.13 114.672 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -50.3 -60.01 3.4 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.159 -1.837 . . . . 54.52 109.656 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -86.4 105.55 16.8 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 107.741 -1.207 . . . . 74.31 107.741 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.28 -29.94 1.98 Allowed 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 116.449 -0.341 . . . . 74.32 111.316 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . -69.86 -39.31 76.42 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.348 0.594 . . . . 60.32 109.454 177.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.2 71.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.803 -1.09 . . . . 54.04 110.034 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.26 -43.9 84.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.427 -0.583 . . . . 72.1 109.427 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 42.7 mtp180 -58.47 -46.96 85.57 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.271 0.557 . . . . 71.2 110.375 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.1 -40.87 86.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.489 -0.778 . . . . 74.02 110.959 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.83 -42.71 99.37 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.783 0.801 . . . . 64.51 109.34 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.86 95.63 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.022 -0.99 . . . . 62.35 110.852 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 41.8 mtm105 -70.49 -33.13 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.337 0.589 . . . . 74.54 110.373 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -65.97 -34.47 78.18 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.171 0.986 . . . . 73.4 109.096 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -94.48 -27.85 15.77 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 114.331 -1.304 . . . . 65.13 112.538 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.2 48.23 4.4 Favored Glycine 0 N--CA 1.431 -1.659 0 C-N-CA 120.923 -0.656 . . . . 65.21 111.712 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.9 m80 -94.75 161.29 14.24 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.634 -1.617 . . . . 74.12 106.634 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -79.85 88.5 5.26 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.087 -0.645 . . . . 74.43 111.505 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.8 t -132.48 128.62 58.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.096 -1.076 . . . . 64.21 108.096 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.3 m -79.55 153.05 29.78 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 116.031 -0.531 . . . . 52.55 109.959 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 p -68.81 -30.29 68.83 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 111.791 0.293 . . . . 63.24 111.791 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -120.41 145.12 47.5 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.748 -1.204 . . . . 73.33 107.748 175.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.88 -143.88 15.68 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 119.866 -1.159 . . . . 75.13 113.14 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -104.92 165.58 10.97 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 123.963 0.905 . . . . 72.32 109.27 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.8 mm -105.65 124.24 36.83 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 109.686 -0.487 . . . . 72.3 109.686 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.475 ' O ' HG13 ' A' ' 105' ' ' ILE . 32.4 Cg_exo -61.93 124.38 14.36 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.625 2.217 . . . . 75.33 112.189 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.2 -28.47 69.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.789 0.836 . . . . 54.1 110.29 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -46.28 89.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 108.545 -0.909 . . . . 61.34 108.545 174.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.97 -38.39 81.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.006 0 CA-C-N 114.624 -1.171 . . . . 70.3 110.501 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 101' ' ' PRO . 60.8 mt -62.52 -47.56 92.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.254 -0.43 . . . . 73.24 111.719 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.2 -36.63 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.783 -0.767 . . . . 75.0 109.948 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.44 99.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 73.33 109.89 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.29 -47.81 83.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 123.812 0.845 . . . . 75.4 110.797 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -71.34 -28.0 63.77 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 113.119 0.785 . . . . 70.11 113.119 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.86 -36.91 27.72 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.734 -0.386 . . . . 72.24 111.456 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.88 108.29 19.75 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.183 0.516 . . . . 53.33 112.363 -176.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 CA--C 1.487 -1.444 0 C-N-CA 125.138 1.375 . . . . 73.44 107.297 178.489 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.208 0.528 . . . . 53.0 109.594 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 15.4 m -102.51 153.74 19.78 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.334 -0.394 . . . . 74.22 110.272 -176.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.6 -128.68 5.06 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 108.693 -1.763 . . . . 33.22 108.693 174.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -89.16 86.55 6.9 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.565 -1.272 . . . . 41.34 107.565 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' A' ' 66' ' ' SER . . . 112.94 -128.63 8.51 Favored Glycine 0 N--CA 1.428 -1.855 0 N-CA-C 108.213 -1.955 . . . . 63.33 108.213 -173.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -87.74 -28.87 21.47 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 117.797 0.798 . . . . 73.14 109.597 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 156.18 -126.13 1.75 Allowed Glycine 0 N--CA 1.424 -2.1 0 N-CA-C 109.476 -1.45 . . . . 53.52 109.476 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -126.72 -41.86 1.81 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 117.555 0.678 . . . . 74.42 111.077 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.46 -120.27 8.23 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.981 -0.628 . . . . 40.22 112.208 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -127.96 -178.2 4.42 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.082 -0.71 . . . . 64.44 109.082 -176.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.13 141.45 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 N-CA-C 107.734 -1.21 . . . . 74.12 107.734 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -122.39 149.2 44.14 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 109.743 -0.466 . . . . 74.1 109.743 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 74.08 -54.15 0.68 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.812 1.645 . . . . 72.13 111.43 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -94.27 110.15 21.92 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.025 -0.732 . . . . 63.21 109.025 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.507 ' O ' HG13 ' A' ' 83' ' ' ILE . 28.6 mm-40 -108.18 77.16 1.08 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.284 0.564 . . . . 73.33 110.103 176.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.4 m -60.94 -31.67 71.21 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 114.869 -1.059 . . . . 61.4 112.346 -176.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -63.56 -51.62 64.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.833 -0.432 . . . . 71.21 109.833 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.65 94.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.405 -0.816 . . . . 72.42 110.644 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.3 mt -61.94 -43.98 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.953 -0.567 . . . . 74.11 109.857 177.564 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -59.42 -46.18 89.44 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.616 -0.265 . . . . 62.42 111.362 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 14.3 mm-40 -63.31 -41.58 98.96 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.52 -0.309 . . . . 73.54 111.403 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.485 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 78.4 t90 -66.66 -41.0 88.87 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-O 121.775 0.798 . . . . 54.12 110.21 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.25 91.37 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.135 -0.938 . . . . 63.31 110.499 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -69.77 -31.84 70.0 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.287 -0.415 . . . . 71.21 110.7 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 29.9 ttt180 -56.88 -45.63 82.39 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.775 -0.824 . . . . 64.13 108.775 174.242 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -71.97 -46.03 58.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.089 -0.959 . . . . 62.42 110.541 176.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.45 28.56 1.92 Allowed Glycine 0 N--CA 1.431 -1.692 0 CA-C-N 115.75 -0.659 . . . . 74.13 112.4 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -89.25 137.35 32.4 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 106.84 -1.541 . . . . 54.41 106.84 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -86.98 104.96 16.79 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 121.795 0.807 . . . . 71.44 109.836 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.4 t -111.5 139.24 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-N 114.559 -1.201 . . . . 73.41 111.457 -174.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.1 m 75.72 12.6 3.0 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 124.945 1.298 . . . . 72.24 111.962 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.2 p -89.16 88.79 7.68 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 107.493 -1.299 . . . . 53.04 107.493 173.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.13 81.14 0.21 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.443 -0.799 . . . . 75.53 110.197 -170.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.18 -169.99 32.09 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 110.32 -1.112 . . . . 64.42 110.32 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.431 ' CD ' HG12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -103.45 -84.65 0.47 Allowed 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.836 -1.542 . . . . 75.45 106.836 178.532 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.431 HG12 ' CD ' ' A' ' 99' ' ' ARG . 40.1 mm -148.38 120.02 4.4 Favored Pre-proline 0 C--N 1.285 -2.213 0 N-CA-C 105.584 -2.006 . . . . 64.12 105.584 176.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.441 ' O ' HG13 ' A' ' 105' ' ' ILE . 51.9 Cg_exo -54.49 123.42 13.6 Favored 'Trans proline' 0 CA--C 1.515 -0.439 0 C-N-CA 122.186 1.924 . . . . 64.35 111.883 178.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.38 -34.17 73.51 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.747 -0.66 . . . . 72.33 109.925 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -58.75 -43.54 90.31 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 115.283 -0.871 . . . . 63.43 109.932 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.22 -40.7 87.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-N 115.324 -0.853 . . . . 75.01 110.352 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 101' ' ' PRO . 67.0 mt -61.17 -48.11 90.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.784 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.627 -0.509 . . . . 72.2 109.627 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.37 95.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 70.33 110.547 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -58.92 -42.41 89.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 123.704 0.802 . . . . 70.25 110.724 177.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -75.24 -35.02 61.47 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.479 -0.782 . . . . 60.15 112.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.0 -37.2 61.89 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 111.788 0.292 . . . . 75.54 111.788 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.57 114.35 16.33 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.125 0.488 . . . . 62.4 111.55 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.302 -1.491 0 N-CA-C 108.52 -0.918 . . . . 73.42 108.52 175.07 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 CA--C 1.503 -0.856 0 N-CA-C 109.213 -0.662 . . . . 64.24 109.213 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.2 m -116.14 138.96 50.8 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 116.448 -0.342 . . . . 73.23 110.265 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -172.1 176.82 45.06 Favored Glycine 0 N--CA 1.433 -1.514 0 N-CA-C 109.119 -1.592 . . . . 32.05 109.119 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.3 p -104.23 -67.27 0.91 Allowed 'General case' 0 N--CA 1.421 -1.882 0 CA-C-O 121.444 0.64 . . . . 52.24 109.803 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.4 121.21 3.89 Favored Glycine 0 N--CA 1.423 -2.202 0 N-CA-C 110.452 -1.059 . . . . 70.5 110.452 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -82.83 88.3 6.79 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 122.534 1.159 . . . . 73.02 111.747 -176.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -165.89 164.84 37.7 Favored Glycine 0 N--CA 1.417 -2.585 0 N-CA-C 107.448 -2.261 . . . . 53.32 107.448 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 2.0 mmp_? -112.14 103.98 12.18 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 118.151 0.975 . . . . 74.42 110.032 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.44 11.23 6.08 Favored Glycine 0 C--N 1.307 -1.048 0 C-N-CA 121.007 -0.616 . . . . 72.01 112.277 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.57 96.14 7.17 Favored 'General case' 0 N--CA 1.423 -1.825 0 N-CA-C 107.799 -1.185 . . . . 74.15 107.799 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mm -70.77 118.38 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 CA-C-O 121.967 0.889 . . . . 73.25 109.518 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -86.35 116.22 24.37 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 114.004 -1.453 . . . . 75.43 109.924 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -142.27 176.12 9.23 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 105.072 -2.196 . . . . 74.14 105.072 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -63.01 -55.61 24.18 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 118.206 0.457 . . . . 70.3 109.907 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -88.04 92.27 9.08 Favored 'General case' 0 N--CA 1.436 -1.125 0 C-N-CA 119.353 -0.939 . . . . 74.31 109.436 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.4 p -141.55 -56.41 0.48 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.643 -0.708 . . . . 61.41 109.953 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.16 84.24 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.143 0.497 . . . . 22.34 110.31 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.78 83.63 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.117 -0.947 . . . . 63.13 110.526 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -66.52 -38.72 82.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 109.113 -0.699 . . . . 73.45 109.113 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 53.5 mtp180 -62.08 -44.92 95.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.731 . . . . 62.03 109.386 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.2 -44.08 76.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 73.34 110.999 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -59.0 -40.8 86.02 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.417 0.627 . . . . 63.21 109.877 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.61 75.01 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.581 -0.736 . . . . 63.24 110.051 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 17.1 mtm180 -63.04 -37.78 88.54 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 110.11 -0.33 . . . . 64.13 110.11 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.9 -45.52 82.55 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.012 0.925 . . . . 73.11 109.788 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -77.51 -21.44 52.73 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.46 -0.791 . . . . 74.52 111.926 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.48 28.09 7.73 Favored Glycine 0 C--N 1.303 -1.259 0 C-N-CA 120.624 -0.798 . . . . 65.04 111.819 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -89.69 142.5 27.63 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.073 -1.455 . . . . 74.14 107.073 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -88.03 78.48 8.19 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.796 0.807 . . . . 73.12 109.882 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.7 t -109.92 147.36 14.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-N 114.678 -1.146 . . . . 64.31 108.906 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 t 76.06 19.88 1.76 Allowed 'General case' 0 C--O 1.242 0.69 0 C-N-CA 124.464 1.106 . . . . 73.51 111.211 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.6 p -75.12 -43.95 49.9 Favored 'General case' 0 N--CA 1.423 -1.805 0 CA-C-N 114.855 -1.066 . . . . 70.44 108.906 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -97.78 -6.29 33.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.356 -0.838 . . . . 71.15 110.018 174.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.84 32.28 13.27 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.145 -0.934 . . . . 53.43 112.164 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -134.94 154.66 51.61 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 108.096 -1.076 . . . . 75.02 108.096 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -108.98 115.17 57.48 Favored Pre-proline 0 N--CA 1.437 -1.077 0 N-CA-C 109.668 -0.493 . . . . 74.54 109.668 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -57.35 128.4 29.4 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.027 2.485 . . . . 62.15 112.305 175.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.43 71.55 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.133 -0.939 . . . . 72.22 109.653 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.33 -42.32 95.38 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.505 -1.294 . . . . 62.22 107.505 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.21 -41.08 83.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 114.736 -1.12 . . . . 63.42 110.571 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.69 -43.76 95.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.842 0.353 . . . . 72.42 110.573 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.774 -0.371 . . . . 75.02 110.237 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.13 98.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.051 -0.522 . . . . 71.02 110.166 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.94 -40.45 93.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.83 0.852 . . . . 74.03 110.862 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -78.69 -26.25 44.88 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 112.732 0.642 . . . . 73.44 112.732 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.84 -33.96 30.41 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.019 0.438 . . . . 60.32 111.609 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.07 143.79 26.33 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 116.513 -0.312 . . . . 72.42 111.44 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 C--N 1.301 -1.537 0 N-CA-C 108.066 -1.087 . . . . 63.41 108.066 176.59 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 107.965 -1.124 . . . . 53.32 107.965 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -60.44 99.69 0.08 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 122.988 0.515 . . . . 64.11 111.493 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.74 66.76 0.2 Allowed Glycine 0 N--CA 1.429 -1.826 0 N-CA-C 109.017 -1.633 . . . . 71.53 109.017 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 m -132.37 114.52 14.47 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.163 0.506 . . . . 64.32 110.122 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.19 48.71 1.04 Allowed Glycine 0 N--CA 1.425 -2.068 0 CA-C-N 115.562 -0.745 . . . . 54.01 112.008 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -97.19 106.51 18.85 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.62 -0.882 . . . . 75.54 108.62 176.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 149.44 167.22 13.86 Favored Glycine 0 N--CA 1.417 -2.572 0 C-N-CA 119.333 -1.413 . . . . 74.12 112.716 176.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -89.48 -42.54 11.42 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 107.917 -1.142 . . . . 73.14 107.917 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.92 154.56 22.79 Favored Glycine 0 N--CA 1.416 -2.666 0 N-CA-C 109.149 -1.58 . . . . 55.43 109.149 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.34 178.11 8.86 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.188 -1.412 . . . . 71.14 107.188 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.532 ' H ' HD12 ' A' ' 75' ' ' ILE . 3.5 mp -69.08 120.83 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 108.516 -0.92 . . . . 75.21 108.516 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.437 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 32.2 t70 -84.72 86.55 7.32 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 114.36 1.244 . . . . 71.33 114.36 -170.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' HD3' HG22 ' A' ' 75' ' ' ILE . 3.6 mpt_? -138.1 -60.84 0.62 Allowed 'General case' 0 C--N 1.283 -2.326 0 N-CA-C 102.27 -3.233 . . . . 61.24 102.27 168.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -129.55 95.59 4.04 Favored 'General case' 0 N--CA 1.408 -2.546 0 CA-C-N 112.808 -1.996 . . . . 71.44 107.331 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 83' ' ' ILE . 50.4 mt-30 -98.76 100.56 11.79 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.377 -0.971 . . . . 72.54 108.377 174.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.582 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 21.7 p -50.87 -42.8 59.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.835 0.71 . . . . 64.03 112.272 -176.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -58.36 -54.8 42.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 62.33 110.911 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.58 81.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 53.25 111.041 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 79' ' ' GLN . 83.7 mt -63.81 -39.53 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.545 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 80' ' ' SER . 13.6 mtm180 -63.7 -47.61 80.46 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.661 -0.866 . . . . 63.2 108.661 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 38.4 mm-40 -60.76 -45.84 92.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.02 -0.991 . . . . 73.34 109.966 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -58.36 -46.18 86.79 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.514 0.726 . . . . 61.41 110.12 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.61 98.63 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.512 -0.767 . . . . 74.44 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 26.4 mtp180 -68.46 -35.72 77.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.675 0.274 . . . . 73.31 110.303 178.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.44 -37.74 81.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.741 0.816 . . . . 74.43 110.077 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -82.47 -39.18 22.87 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.988 -0.551 . . . . 61.45 111.144 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.36 44.71 1.14 Allowed Glycine 0 N--CA 1.434 -1.463 0 N-CA-C 110.806 -0.918 . . . . 42.32 110.806 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -101.44 163.77 12.1 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 108.648 -0.871 . . . . 75.2 108.648 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -93.84 104.52 16.59 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.812 -0.81 . . . . 74.22 108.812 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.6 t -84.55 -46.68 17.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 107.694 -1.224 . . . . 74.41 107.694 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 97' ' ' ARG . 29.6 t 66.5 95.96 0.06 Allowed 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.824 -1.534 . . . . 53.41 110.378 -176.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.8 p -81.79 23.49 0.67 Allowed 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 121.823 0.82 . . . . 64.31 111.053 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 95' ' ' SER . 6.4 mpt_? -110.86 17.75 20.23 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 107.867 -1.16 . . . . 74.31 107.867 174.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.27 -141.52 3.24 Favored Glycine 0 N--CA 1.43 -1.765 0 N-CA-C 108.66 -1.776 . . . . 63.34 108.66 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HB3' ' H ' ' A' ' 100' ' ' ILE . 28.2 mtp85 -112.59 -159.99 0.7 Allowed 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.207 -0.664 . . . . 73.25 109.207 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.4 ' H ' ' HB3' ' A' ' 99' ' ' ARG . 30.0 mm -87.17 129.74 50.59 Favored Pre-proline 0 C--N 1.309 -1.177 0 N-CA-C 109.343 -0.614 . . . . 60.31 109.343 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.22 123.55 13.06 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.527 2.151 . . . . 64.35 111.571 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.79 -38.82 76.15 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.271 1.028 . . . . 64.14 110.954 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.82 -33.39 75.75 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.033 -0.53 . . . . 55.41 109.844 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 t -70.56 -38.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 116.021 -0.536 . . . . 74.15 110.39 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.78 -46.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.196 0.522 . . . . 75.04 109.656 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.81 -43.1 97.27 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.393 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.82 -0.627 . . . . 74.42 110.286 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -56.08 -51.24 68.59 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.045 0.938 . . . . 65.02 110.399 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.8 m80 -65.95 -31.36 72.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.263 -0.88 . . . . 74.1 112.378 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.28 -19.37 31.66 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 120.683 0.277 . . . . 71.11 111.48 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.1 109.39 8.54 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.409 0.623 . . . . 70.11 111.964 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.291 -1.973 0 N-CA-C 106.543 -1.651 . . . . 44.51 106.543 175.869 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.471 0.575 0 CA-C-O 120.597 0.237 . . . . 74.42 110.603 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.3 p -77.51 171.28 15.15 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 110.36 -0.237 . . . . 55.03 110.36 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.18 -106.97 2.3 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.778 -1.329 . . . . 62.5 109.778 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.2 m -99.55 106.39 18.38 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 108.043 -1.095 . . . . 63.34 108.043 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.43 -56.41 11.87 Favored Glycine 0 CA--C 1.498 -0.994 0 N-CA-C 110.547 -1.021 . . . . 53.21 110.547 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -154.62 145.15 22.22 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.928 -0.767 . . . . 74.24 108.928 173.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -149.64 141.55 8.97 Favored Glycine 0 N--CA 1.415 -2.747 0 N-CA-C 110.238 -1.145 . . . . 75.41 110.238 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -84.64 -37.34 21.17 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.865 -1.161 . . . . 64.24 107.865 177.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.84 -89.5 0.39 Allowed Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 114.814 -1.085 . . . . 71.5 111.86 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.82 177.92 6.87 Favored 'General case' 0 N--CA 1.423 -1.78 0 N-CA-C 107.658 -1.238 . . . . 73.41 107.658 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.9 mt -105.75 148.96 9.57 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 N-CA-C 106.647 -1.612 . . . . 63.13 106.647 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.21 66.03 5.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.928 1.347 . . . . 64.42 111.23 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -126.65 -24.72 3.52 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 112.907 -1.952 . . . . 72.0 108.164 177.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -132.48 139.55 48.0 Favored 'General case' 0 N--CA 1.41 -2.444 0 N-CA-C 106.031 -1.84 . . . . 74.41 106.031 -173.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 84.3 mm-40 -68.74 85.22 0.31 Allowed 'General case' 0 C--N 1.311 -1.093 0 O-C-N 123.834 0.709 . . . . 73.03 112.775 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -99.13 -26.72 14.11 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 115.127 -0.942 . . . . 64.32 109.039 176.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.71 84.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.459 -0.791 . . . . 74.23 109.027 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 79' ' ' GLN . . . -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.704 -0.68 . . . . 73.33 110.322 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.1 mt -63.78 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.414 -0.587 . . . . 71.14 109.414 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 37.6 mtp180 -61.66 -44.24 97.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.593 -0.276 . . . . 64.24 110.723 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 46.6 mt-10 -62.03 -46.85 87.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 53.05 110.196 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.11 -42.07 89.69 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 123.539 0.736 . . . . 71.53 110.044 175.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.8 71.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.537 -0.756 . . . . 61.3 111.069 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 75.8 mtp180 -75.47 -34.52 60.91 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.097 0.559 . . . . 75.05 110.904 176.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 85.7 mtt180 -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.31 0.576 . . . . 64.42 109.587 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -82.61 -39.44 22.18 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.387 -0.824 . . . . 64.24 111.673 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.44 64.25 1.12 Allowed Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 111.252 -0.739 . . . . 71.44 111.252 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -94.67 21.23 7.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.153 0.501 . . . . 74.25 111.2 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 69.85 13.41 8.01 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.408 1.083 . . . . 72.02 113.02 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.513 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 52.9 t -76.21 -70.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 115.755 -0.657 . . . . 73.11 110.632 -177.101 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.0 t 53.93 -87.77 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.265 1.026 . . . . 63.1 113.335 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 p -108.09 1.26 22.2 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 112.725 0.639 . . . . 51.21 112.725 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 94' ' ' VAL . 41.3 mtt180 -64.48 133.47 52.52 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.567 -0.901 . . . . 73.34 108.567 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.53 -26.74 60.54 Favored Glycine 0 C--O 1.244 0.761 0 C-N-CA 121.021 -0.609 . . . . 50.22 114.163 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -95.15 127.6 41.33 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.85 -0.426 . . . . 75.02 109.85 -176.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mp -90.86 119.86 68.85 Favored Pre-proline 0 N--CA 1.428 -1.532 0 N-CA-C 107.684 -1.228 . . . . 73.01 107.684 175.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.69 135.63 68.5 Favored 'Trans proline' 0 N--CA 1.445 -1.343 0 C-N-CA 122.219 1.946 . . . . 70.12 111.118 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.64 68.67 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 108.969 -0.752 . . . . 71.21 108.969 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -61.87 -41.39 97.8 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.852 -1.067 . . . . 74.0 109.052 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.92 -42.07 77.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 115.048 -0.978 . . . . 73.14 110.215 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.25 -42.8 96.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.916 -0.584 . . . . 74.21 109.72 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.36 -42.51 98.81 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.586 -0.734 . . . . 73.33 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.39 94.22 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.167 -0.924 . . . . 50.41 110.398 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -60.41 -41.54 94.13 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.34 0.656 . . . . 70.55 110.763 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -73.3 -27.81 61.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.683 -0.69 . . . . 74.51 111.46 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.74 -36.51 57.06 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.474 0.654 . . . . 71.21 109.806 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.59 151.74 34.28 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.474 -0.785 . . . . 72.41 109.788 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 C--N 1.285 -2.207 0 N-CA-C 108.674 -0.861 . . . . 72.53 108.674 177.699 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 CA--C 1.507 -0.704 0 N-CA-C 108.292 -1.003 . . . . 73.34 108.292 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 m -87.25 94.85 9.78 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-O 121.704 0.764 . . . . 62.4 112.174 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.54 54.31 0.55 Allowed Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 108.298 -1.921 . . . . 61.54 108.298 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 m -67.45 135.94 53.87 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-N 114.931 -0.634 . . . . 61.53 111.183 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.83 -63.53 0.01 OUTLIER Glycine 0 N--CA 1.42 -2.367 0 N-CA-C 110.745 -0.942 . . . . 44.1 110.745 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.1 mmt-85 -127.23 121.26 30.72 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 109.565 -0.531 . . . . 75.13 109.565 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.74 155.34 24.68 Favored Glycine 0 N--CA 1.408 -3.173 0 N-CA-C 108.254 -1.939 . . . . 63.2 108.254 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -100.95 140.86 34.65 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 118.985 -1.086 . . . . 71.51 109.002 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -105.15 -162.28 23.71 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.243 -1.143 . . . . 73.3 110.243 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.95 129.2 46.0 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 106.055 -1.831 . . . . 64.53 106.055 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.92 126.74 35.11 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.009 0 N-CA-C 108.848 -0.797 . . . . 72.3 108.848 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -103.92 -58.0 1.95 Allowed 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 115.377 -0.828 . . . . 75.43 112.073 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -94.89 155.7 16.66 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 115.821 -0.627 . . . . 55.04 110.449 -170.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.42 108.92 3.44 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 114.538 -1.21 . . . . 64.23 108.855 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.513 ' O ' HG13 ' A' ' 83' ' ' ILE . 51.4 mt-30 -106.2 85.8 2.26 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.156 -1.053 . . . . 74.45 108.156 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.5 m -48.88 -47.47 43.04 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.812 1.041 . . . . 53.41 113.812 -173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -69.29 -38.48 78.32 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 120.683 -0.407 . . . . 62.02 110.882 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.53 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.332 0.395 . . . . 71.42 110.327 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 79' ' ' GLN . 83.4 mt -63.23 -43.71 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.266 -0.642 . . . . 72.34 109.266 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -64.08 -37.43 87.42 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.309 -0.405 . . . . 74.14 110.436 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 13.7 mm-40 -60.25 -54.39 46.34 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 123.321 0.388 . . . . 62.22 110.444 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -55.41 -44.12 75.91 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.753 0.821 . . . . 74.13 110.187 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -58.39 -49.48 77.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.616 -0.72 . . . . 60.44 110.329 177.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.93 -41.83 92.63 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.509 0.724 . . . . 72.25 111.165 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 95.9 mtt180 -64.76 -36.24 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.1 -0.5 . . . . 73.44 111.087 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -78.28 -29.06 47.74 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 116.323 -0.398 . . . . 61.33 111.148 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.45 28.56 5.7 Favored Glycine 0 N--CA 1.429 -1.767 0 CA-C-N 115.646 -0.706 . . . . 23.05 112.203 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.429 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 19.6 m170 -86.78 149.52 24.8 Favored 'General case' 0 C--O 1.252 1.192 0 N-CA-C 107.91 -1.144 . . . . 71.43 107.91 178.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -102.07 95.36 6.29 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 121.422 0.63 . . . . 64.23 110.974 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.34 126.21 59.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.468 -1.308 . . . . 60.41 107.468 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -69.87 127.73 33.92 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 123.448 0.468 . . . . 63.24 110.614 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.9 p -58.7 -35.66 72.99 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.87 -0.605 . . . . 71.11 111.791 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -108.15 89.72 3.08 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 106.044 -1.836 . . . . 64.31 106.044 174.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.76 -173.29 41.39 Favored Glycine 0 N--CA 1.419 -2.452 0 N-CA-C 109.851 -1.3 . . . . 61.44 109.851 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -94.6 -179.25 4.82 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 109.49 -0.559 . . . . 73.43 109.49 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.0 mt -100.58 131.83 23.19 Favored Pre-proline 0 C--N 1.293 -1.879 0 N-CA-C 106.836 -1.542 . . . . 63.31 106.836 173.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.77 128.44 30.41 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.06 1.84 . . . . 74.3 110.478 173.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.755 -0.657 . . . . 72.32 109.229 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -44.26 92.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.885 -1.052 . . . . 74.24 109.83 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.01 -43.42 89.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.758 -0.655 . . . . 62.44 110.293 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.25 -45.39 98.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.292 0.568 . . . . 74.32 110.238 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.13 -40.73 90.86 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.748 -0.66 . . . . 64.3 110.391 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.41 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 116.009 -0.541 . . . . 72.52 109.939 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CD2' HG12 ' A' ' 83' ' ' ILE . 77.0 t80 -59.01 -41.71 88.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 123.518 0.727 . . . . 71.3 110.907 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.3 m80 -75.98 -33.91 59.77 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.707 0.632 . . . . 55.23 112.707 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.82 -22.08 50.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.37 0.605 . . . . 62.42 111.043 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.44 122.06 27.04 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.843 -0.617 . . . . 64.51 110.632 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.293 -1.868 0 N-CA-C 106.027 -1.842 . . . . 74.41 106.027 177.558 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 111.584 0.216 . . . . 63.25 111.584 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.8 m -96.67 141.57 29.76 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.592 -0.892 . . . . 74.44 108.592 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.65 177.62 22.3 Favored Glycine 0 N--CA 1.433 -1.505 0 N-CA-C 111.067 -0.813 . . . . 64.21 111.067 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 m -88.47 85.74 6.91 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.485 0.66 . . . . 63.43 109.412 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.12 173.66 39.66 Favored Glycine 0 N--CA 1.417 -2.631 0 N-CA-C 109.942 -1.263 . . . . 71.12 109.942 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -104.5 92.63 4.39 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 117.119 0.46 . . . . 70.34 110.141 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.36 -41.06 10.4 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 109.876 -1.289 . . . . 73.25 109.876 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 70.61 -46.42 0.62 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.398 1.879 . . . . 75.3 112.225 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 160.65 160.82 10.94 Favored Glycine 0 N--CA 1.412 -2.966 0 N-CA-C 109.278 -1.529 . . . . 63.03 109.278 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -118.84 126.03 50.9 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 108.957 -0.757 . . . . 71.15 108.957 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.5 120.32 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.021 0 N-CA-C 107.437 -1.319 . . . . 71.21 107.437 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.91 135.05 55.04 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 115.173 -0.921 . . . . 72.45 109.217 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 63.98 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.476 1.11 . . . . 74.1 110.677 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -169.72 -67.34 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.375 0.67 . . . . 73.23 109.392 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -109.63 65.29 0.61 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.988 0.899 . . . . 60.22 111.203 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 p -80.39 -27.27 38.17 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.945 -1.025 . . . . 75.44 111.359 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.59 63.55 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.241 -0.436 . . . . 74.24 109.919 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.15 94.81 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.922 -0.581 . . . . 72.34 109.569 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.37 -43.39 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.21 -0.904 . . . . 52.22 109.237 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -61.99 -46.94 87.04 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.827 -0.624 . . . . 75.11 111.033 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -61.09 -43.84 98.27 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 122.59 0.356 . . . . 74.23 111.301 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.48 -44.91 92.93 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.538 0.685 . . . . 72.14 109.54 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.89 99.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.415 -0.811 . . . . 71.4 110.909 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -67.19 -37.19 83.26 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.496 0.719 . . . . 74.43 110.136 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.33 -36.84 85.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.362 -0.836 . . . . 75.31 110.238 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -79.25 -45.0 20.64 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.25 0.548 . . . . 74.15 110.401 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 115.18 33.47 1.63 Allowed Glycine 0 N--CA 1.435 -1.374 0 CA-C-N 115.7 -0.682 . . . . 53.52 112.152 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -86.09 164.27 17.4 Favored 'General case' 0 C--O 1.251 1.175 0 N-CA-C 108.57 -0.9 . . . . 71.25 108.57 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -89.59 90.78 8.41 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.282 0.563 . . . . 73.21 110.671 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 50.6 t -138.7 112.85 7.7 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 107.715 -1.217 . . . . 75.1 107.715 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.4 m -76.87 143.07 39.91 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.252 0.549 . . . . 65.54 111.185 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.78 127.31 31.48 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 115.555 -0.748 . . . . 65.52 109.86 177.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 68.89 6.39 5.56 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.424 1.089 . . . . 74.42 111.956 -176.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.02 -172.87 22.59 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 120.778 -0.725 . . . . 75.23 112.807 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -58.5 130.85 48.75 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 123.909 0.884 . . . . 61.11 111.688 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -102.08 121.41 50.63 Favored Pre-proline 0 N--CA 1.431 -1.416 0 N-CA-C 107.845 -1.169 . . . . 54.0 107.845 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.05 128.52 30.19 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.45 2.1 . . . . 64.1 111.272 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.12 72.12 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.574 -0.739 . . . . 64.42 110.161 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.39 -34.21 77.45 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.472 -0.786 . . . . 73.3 109.829 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.104 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 75.7 mt -60.97 -45.35 98.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.176 0.512 . . . . 61.51 109.793 176.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.57 -40.99 93.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.7 -0.682 . . . . 70.31 110.374 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.83 99.21 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.895 -0.593 . . . . 74.24 110.154 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 60.4 t80 -56.46 -44.19 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.787 0.835 . . . . 72.13 110.638 176.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -72.67 -39.52 67.04 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.391 -0.822 . . . . 73.01 112.556 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.8 -25.52 59.1 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 112.532 0.567 . . . . 72.42 112.532 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.1 124.32 29.74 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.325 0.583 . . . . 53.42 111.529 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 C--N 1.296 -1.756 0 N-CA-C 105.649 -1.982 . . . . 65.43 105.649 175.951 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.1 tpt . . . . . 0 C--O 1.22 -0.483 0 N-CA-C 107.926 -1.138 . . . . 71.31 107.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 m -95.29 162.44 13.68 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 109.427 -0.583 . . . . 64.41 109.427 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.96 10.09 16.88 Favored Glycine 0 C--N 1.313 -0.705 0 C-N-CA 120.472 -0.871 . . . . 60.13 112.238 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 m -87.93 -9.9 52.2 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.884 0.849 . . . . 60.21 109.904 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.76 -168.54 36.25 Favored Glycine 0 CA--C 1.487 -1.691 0 N-CA-C 108.078 -2.009 . . . . 61.2 108.078 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 67.29 24.73 8.99 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 123.026 1.394 . . . . 73.22 109.532 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -166.06 63.59 0.22 Allowed Glycine 0 N--CA 1.434 -1.495 0 N-CA-C 108.461 -1.856 . . . . 75.51 108.461 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -75.85 -60.44 2.32 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.284 -0.458 . . . . 75.55 110.442 -175.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.17 -142.46 11.41 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.748 -0.941 . . . . 15.54 110.748 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.06 -162.85 0.85 Allowed 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 106.979 -1.489 . . . . 44.32 106.979 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.7 mt -109.52 131.16 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.29 0 N-CA-C 107.684 -1.228 . . . . 43.2 107.684 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.87 107.75 1.56 Allowed 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.123 0.487 . . . . 72.53 111.982 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -136.57 -56.39 0.74 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.294 -1.743 . . . . 74.21 106.294 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -128.4 121.2 28.49 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 113.557 -1.656 . . . . 74.22 108.657 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.41 97.26 7.08 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.043 -1.466 . . . . 61.11 107.043 170.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.3 p -124.16 -51.46 1.77 Allowed 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 115.784 -0.644 . . . . 62.52 109.543 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.74 96.93 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 115.427 -0.806 . . . . 54.31 110.214 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.33 78.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.57 -0.741 . . . . 71.34 111.273 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -71.13 -45.1 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 109.26 -0.644 . . . . 61.13 109.26 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -60.46 -41.03 93.27 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.341 -0.39 . . . . 74.0 110.914 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.91 -39.88 69.22 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.075 -0.511 . . . . 73.24 111.85 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.46 -46.3 90.65 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 121.759 0.79 . . . . 71.04 109.286 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.83 -49.66 75.41 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 114.722 -1.127 . . . . 72.41 111.591 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -76.82 -17.69 58.85 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.004 0.372 . . . . 54.42 112.004 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -68.65 -42.32 78.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.598 -1.26 . . . . 64.2 107.598 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -71.56 -42.23 68.1 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.155 -0.929 . . . . 72.44 110.97 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 113.21 28.87 3.17 Favored Glycine 0 N--CA 1.433 -1.553 0 CA-C-N 115.597 -0.729 . . . . 71.4 111.441 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -81.17 158.69 24.85 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.742 -1.207 . . . . 72.25 107.742 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -86.61 91.87 8.72 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.267 0.556 . . . . 63.41 110.974 -176.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.56 109.14 20.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.834 -0.621 . . . . 74.23 109.393 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 m -76.25 129.43 36.67 Favored 'General case' 0 N--CA 1.412 -2.351 0 N-CA-C 108.844 -0.798 . . . . 65.25 108.844 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.1 p -68.74 -28.3 66.69 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-O 121.029 0.443 . . . . 72.13 111.235 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -111.64 88.96 2.93 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 115.875 -0.602 . . . . 71.23 109.792 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.89 -96.06 0.11 Allowed Glycine 0 N--CA 1.423 -2.174 0 N-CA-C 110.687 -0.965 . . . . 54.21 110.687 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -162.1 148.05 13.25 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.7 -1.222 . . . . 73.42 107.7 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.6 mt -83.04 124.48 76.51 Favored Pre-proline 0 N--CA 1.42 -1.927 0 N-CA-C 107.352 -1.351 . . . . 72.31 107.352 173.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.21 127.02 24.08 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.635 2.223 . . . . 74.04 111.097 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.64 69.96 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.935 -0.575 . . . . 74.12 109.742 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.51 -41.43 98.84 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.227 -0.897 . . . . 74.34 109.495 173.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.16 -41.86 84.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-N 115.581 -0.736 . . . . 51.44 110.211 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.08 -46.9 93.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.22 -35.83 81.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.425 . . . . 64.12 110.099 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.65 91.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.706 -0.679 . . . . 75.04 110.344 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.78 -39.45 88.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.312 0.645 . . . . 72.44 110.375 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -77.28 -27.07 52.98 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.806 -0.634 . . . . 71.35 112.603 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.65 -37.13 21.4 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.884 0.373 . . . . 42.2 111.848 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.13 123.48 27.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.012 0.434 . . . . 22.23 111.136 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--N 1.306 -1.319 0 CA-C-N 115.812 -0.631 . . . . 71.21 110.166 179.328 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 CA--C 1.503 -0.846 0 N-CA-C 108.253 -1.017 . . . . 73.33 108.253 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -85.1 95.38 9.1 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 109.953 -0.388 . . . . 42.12 109.953 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.21 95.62 1.81 Allowed Glycine 0 N--CA 1.422 -2.281 0 N-CA-C 109.568 -1.413 . . . . 73.3 109.568 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.1 m -67.67 99.02 0.74 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 109.818 -0.438 . . . . 71.01 109.818 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.16 52.86 0.57 Allowed Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 120.715 -0.755 . . . . 73.15 112.785 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -84.53 -48.05 9.96 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 108.0 -1.111 . . . . 71.32 108.0 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.31 167.67 36.28 Favored Glycine 0 N--CA 1.419 -2.494 0 N-CA-C 109.978 -1.249 . . . . 52.14 109.978 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -92.29 -50.44 5.65 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.618 -0.882 . . . . 72.23 108.618 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.94 127.51 1.62 Allowed Glycine 0 N--CA 1.416 -2.657 0 N-CA-C 109.107 -1.597 . . . . 52.31 109.107 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.5 84.33 4.3 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 107.387 -1.338 . . . . 62.23 107.387 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.6 mt -112.73 123.24 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.318 0 CA-C-N 113.77 -1.559 . . . . 70.02 109.199 -173.012 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -78.38 129.23 34.73 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-O 121.624 0.726 . . . . 64.22 110.033 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -137.9 -55.72 0.67 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.078 -0.965 . . . . 75.25 108.954 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -101.27 -27.5 13.16 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.44 -0.8 . . . . 71.44 109.546 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.62 110.83 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.323 -0.853 . . . . 71.25 110.428 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 p -154.83 -64.26 0.13 Allowed 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 116.138 -0.483 . . . . 75.23 109.933 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.79 92.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.19 0.519 . . . . 64.2 110.048 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.76 73.64 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.302 -0.863 . . . . 73.52 110.204 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CD2' ' A' ' 108' ' ' TYR . 56.3 mt -68.89 -42.57 82.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.019 -0.734 . . . . 72.43 109.019 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 75.0 mtt180 -60.82 -44.46 96.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.808 -0.633 . . . . 64.4 110.432 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -74.34 -30.63 62.11 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 112.437 0.532 . . . . 73.23 112.437 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.457 ' CG ' ' HD1' ' A' ' 108' ' ' TYR . 57.4 t90 -66.38 -36.18 82.21 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.066 -0.716 . . . . 71.14 109.066 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -64.16 -42.12 96.86 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.268 -0.878 . . . . 33.4 109.451 176.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.0 mmt180 -62.95 -43.89 97.55 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.057 -0.72 . . . . 74.3 109.057 176.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 37.5 ttm180 -54.55 -44.2 72.68 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.468 1.507 . . . . 72.11 110.76 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -76.25 -53.97 7.46 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 116.083 -0.508 . . . . 55.32 110.933 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.27 38.44 0.28 Allowed Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 120.915 -0.659 . . . . 62.05 112.053 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.423 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 12.8 m170 -102.19 133.48 46.98 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.694 -1.595 . . . . 70.13 106.694 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -81.54 71.64 8.56 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.042 0.449 . . . . 74.1 111.5 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -84.78 78.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-O 122.506 1.146 . . . . 74.44 108.722 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -140.83 54.82 1.58 Allowed 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 113.905 -1.498 . . . . 73.41 107.451 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 p -86.79 -88.26 0.13 Allowed 'General case' 0 N--CA 1.418 -2.067 0 CA-C-N 114.685 -1.143 . . . . 62.41 109.986 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -148.91 -60.1 0.23 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.177 -1.416 . . . . 74.02 107.177 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.62 -21.33 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.112 -0.949 . . . . 74.4 112.343 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -75.85 116.56 16.68 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 109.437 -0.579 . . . . 74.42 109.437 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.5 mt -87.11 129.69 50.89 Favored Pre-proline 0 C--N 1.295 -1.796 0 N-CA-C 108.239 -1.023 . . . . 72.51 108.239 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -53.24 124.31 15.35 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.795 2.33 . . . . 61.54 111.989 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.34 -35.69 72.28 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.01 -0.996 . . . . 61.44 110.032 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.86 -41.42 91.45 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.259 -0.882 . . . . 70.1 109.983 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -66.52 -40.87 87.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.858 -0.61 . . . . 73.45 110.292 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.97 -48.41 86.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.163 -0.472 . . . . 63.31 110.898 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -35.69 80.35 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 120.574 0.226 . . . . 72.05 111.274 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.78 93.87 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.255 -0.43 . . . . 71.24 109.841 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.488 ' CD2' HG12 ' A' ' 83' ' ' ILE . 89.3 t80 -58.58 -47.55 83.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.909 0.484 . . . . 72.42 110.965 178.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -69.79 -29.53 66.86 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 113.146 0.795 . . . . 71.13 113.146 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.41 -37.09 26.02 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.409 -0.516 . . . . 51.33 111.21 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.45 138.45 36.6 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.28 0.562 . . . . 45.43 111.733 -176.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--N 1.296 -1.724 0 N-CA-C 108.419 -0.956 . . . . 72.22 108.419 177.251 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 109.742 -0.466 . . . . 62.45 109.742 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.6 m -144.84 33.55 1.13 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.103 -1.443 . . . . 71.4 107.103 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.92 60.18 4.47 Favored Glycine 0 N--CA 1.434 -1.47 0 CA-C-N 114.718 -1.128 . . . . 73.44 112.734 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -87.3 95.68 10.08 Favored 'General case' 0 N--CA 1.421 -1.896 0 N-CA-C 108.9 -0.778 . . . . 73.32 108.9 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.01 43.71 2.55 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.691 -0.766 . . . . 54.0 113.933 -174.143 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -87.71 95.58 10.12 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.993 -0.683 . . . . 74.31 110.095 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.73 99.22 2.53 Favored Glycine 0 N--CA 1.422 -2.282 0 N-CA-C 109.248 -1.541 . . . . 53.24 109.248 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -71.17 95.71 1.29 Allowed 'General case' 0 N--CA 1.434 -1.241 0 CA-C-O 121.784 0.802 . . . . 63.03 112.807 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.07 116.31 1.0 Allowed Glycine 0 N--CA 1.413 -2.846 0 N-CA-C 108.19 -1.964 . . . . 54.05 108.19 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.85 116.48 32.0 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.0 -0.741 . . . . 63.43 109.0 -177.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.9 mt -92.99 123.24 45.02 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.342 0 CA-C-N 115.363 -0.835 . . . . 75.44 109.325 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -91.77 118.86 31.08 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.127 -0.694 . . . . 73.11 109.127 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -166.31 -173.18 2.46 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.445 -1.317 . . . . 64.04 107.445 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -73.07 96.1 2.13 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 123.576 0.547 . . . . 71.35 109.657 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -101.0 81.44 2.25 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 109.084 -0.71 . . . . 73.45 109.084 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -64.72 -32.22 73.79 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.63 -0.714 . . . . 54.44 110.103 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -63.46 -47.59 81.21 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.252 -0.885 . . . . 62.32 110.02 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.87 87.01 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.34 111.065 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.67 -43.29 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.133 -0.485 . . . . 65.33 110.229 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -63.32 -45.97 88.87 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.053 -0.521 . . . . 62.34 110.488 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 28.6 mm-40 -64.21 -42.08 96.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.633 -0.712 . . . . 73.4 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -57.54 -48.16 80.05 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.76 0.824 . . . . 74.31 109.268 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -59.95 -49.57 77.18 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.221 -0.9 . . . . 52.24 110.905 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -71.91 -15.19 62.09 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.976 -0.556 . . . . 70.11 111.46 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -78.4 -45.45 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.658 -0.867 . . . . 71.52 108.658 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -74.81 -49.36 21.0 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.304 -1.317 . . . . 64.43 111.941 -176.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 127.04 34.23 0.6 Allowed Glycine 0 C--N 1.301 -1.391 0 C-N-CA 120.554 -0.832 . . . . 74.31 111.523 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.44 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 48.2 m80 -97.5 140.9 31.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 106.388 -1.708 . . . . 75.34 106.388 175.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -82.75 94.48 7.63 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 113.785 1.032 . . . . 74.04 113.785 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.8 t -116.22 115.14 48.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 107.19 -1.411 . . . . 71.41 107.19 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 m -59.45 146.28 40.76 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 123.615 0.572 . . . . 55.14 111.659 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.4 p -61.45 -33.93 74.56 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 123.659 0.784 . . . . 75.14 110.33 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -135.27 128.49 31.94 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 106.174 -1.787 . . . . 75.23 106.174 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.0 -139.91 7.14 Favored Glycine 0 C--N 1.296 -1.664 0 N-CA-C 110.835 -0.906 . . . . 55.55 110.835 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -118.09 138.77 52.02 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 109.819 -0.437 . . . . 71.3 109.819 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt -73.91 120.06 79.34 Favored Pre-proline 0 C--N 1.308 -1.205 0 N-CA-C 107.994 -1.114 . . . . 71.41 107.994 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.11 125.59 16.15 Favored 'Trans proline' 0 N--CA 1.445 -1.345 0 C-N-CA 122.216 1.944 . . . . 64.11 111.531 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.78 74.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.233 -0.894 . . . . 72.51 108.765 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.15 -35.97 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.143 -0.935 . . . . 71.34 109.921 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.9 t -68.38 -37.43 77.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.125 -0.488 . . . . 73.15 109.721 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.25 -44.4 99.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.696 -0.483 . . . . 65.32 109.696 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.57 -41.8 97.92 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.604 -0.517 . . . . 74.3 109.604 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.55 85.27 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-N 115.357 -0.838 . . . . 73.45 110.078 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.57 -39.22 76.26 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.705 0.802 . . . . 61.44 110.606 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 65.9 m80 -81.68 -18.27 45.06 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.542 0.941 . . . . 74.42 113.542 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.95 -34.96 10.23 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 112.809 0.67 . . . . 72.52 112.809 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.28 158.42 34.06 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.857 0.836 . . . . 70.33 113.13 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--N 1.292 -1.919 0 CA-C-N 114.106 -1.406 . . . . 70.41 107.733 178.334 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 CA--C 1.503 -0.832 0 N-CA-C 110.075 -0.343 . . . . 74.51 110.075 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.4 t 70.74 100.72 0.06 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.766 1.226 . . . . 42.13 111.77 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.83 -166.71 22.44 Favored Glycine 0 N--CA 1.423 -2.219 0 N-CA-C 108.529 -1.829 . . . . 45.14 108.529 176.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -89.27 87.21 7.05 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 117.755 0.777 . . . . 73.03 109.58 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.29 99.52 0.89 Allowed Glycine 0 CA--C 1.49 -1.52 0 N-CA-C 108.081 -2.008 . . . . 72.3 108.081 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -126.78 134.35 50.61 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.193 0.52 . . . . 71.4 110.377 -171.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -129.91 68.29 0.55 Allowed Glycine 0 N--CA 1.417 -2.622 0 N-CA-C 107.949 -2.06 . . . . 32.13 107.949 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 71.34 103.34 0.06 Allowed 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.852 1.261 . . . . 65.44 111.791 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.0 147.35 13.49 Favored Glycine 0 N--CA 1.427 -1.917 0 N-CA-C 109.023 -1.631 . . . . 73.14 109.023 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 69.01 66.52 0.28 Allowed 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 122.964 1.364 . . . . 72.42 108.577 -176.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -67.56 129.86 32.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-N 112.503 -2.135 . . . . 62.45 110.621 -174.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -79.9 76.96 6.59 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.716 0.77 . . . . 64.35 110.683 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -170.62 -49.0 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 104.605 -2.368 . . . . 72.32 104.605 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -102.5 78.38 1.72 Allowed 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 106.988 -1.486 . . . . 72.02 106.988 172.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -79.67 134.04 36.4 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-N 115.238 -0.892 . . . . 62.13 111.818 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 26.8 p -137.74 -39.74 0.56 Allowed 'General case' 0 C--N 1.281 -2.371 0 CA-C-N 114.104 -1.407 . . . . 73.34 108.612 178.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -57.98 -49.61 76.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.692 -0.685 . . . . 75.5 110.1 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 -34.61 73.18 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.022 -0.535 . . . . 44.12 111.564 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.442 ' HB ' HD13 ' A' ' 100' ' ' ILE . 52.4 mt -67.45 -39.74 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.839 -0.43 . . . . 74.1 109.839 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 80' ' ' SER . 27.1 mtm180 -63.47 -46.03 88.06 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 74.41 108.565 178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 34.0 mm-40 -62.51 -47.11 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.756 -1.111 . . . . 73.34 110.347 -177.007 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.32 -42.85 82.65 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 115.739 -0.664 . . . . 72.24 109.98 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -61.41 -41.64 97.47 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.427 -0.806 . . . . 55.42 110.914 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.455 ' NH1' ' HA ' ' A' ' 95' ' ' SER . 72.3 mtp85 -72.33 -30.21 64.54 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 111.762 0.282 . . . . 75.42 111.762 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.992 -0.373 . . . . 72.23 109.992 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -75.36 -33.06 61.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.26 -0.427 . . . . 73.13 111.674 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.76 38.56 2.52 Favored Glycine 0 C--N 1.303 -1.282 0 C-N-CA 120.799 -0.715 . . . . 71.5 112.154 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.443 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 16.6 m-70 -92.84 165.89 12.69 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.575 -1.268 . . . . 72.52 107.575 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -88.67 84.6 6.72 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.375 0.607 . . . . 74.23 112.467 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.4 t -142.61 122.63 10.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 106.703 -1.591 . . . . 75.13 106.703 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.455 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 19.1 t -97.87 -82.59 0.42 Allowed 'General case' 0 N--CA 1.424 -1.739 0 C-N-CA 119.83 -0.748 . . . . 72.12 109.788 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 p -136.53 -51.54 0.69 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 111.757 0.28 . . . . 72.13 111.757 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -111.43 179.75 3.94 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 121.161 0.505 . . . . 71.23 112.106 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.01 19.5 26.26 Favored Glycine 0 CA--C 1.501 -0.822 0 N-CA-C 108.772 -1.731 . . . . 73.44 108.772 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 61.19 -111.76 0.47 Allowed 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 125.457 1.503 . . . . 73.12 109.706 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.442 HD13 ' HB ' ' A' ' 83' ' ' ILE . 52.4 mt -161.37 133.46 4.21 Favored Pre-proline 0 C--N 1.308 -1.202 0 N-CA-C 106.026 -1.842 . . . . 75.45 106.026 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -55.76 130.93 43.06 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 121.801 1.667 . . . . 70.14 110.089 171.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.947 0.499 . . . . 65.11 110.138 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.94 -37.54 87.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.298 -0.865 . . . . 73.04 109.572 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -70.85 -38.08 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.868 -0.606 . . . . 75.14 110.337 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.23 -43.75 98.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.656 -0.498 . . . . 72.52 109.656 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.75 -42.41 97.34 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.62 -0.718 . . . . 71.13 109.597 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.89 96.32 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.244 -0.889 . . . . 65.05 110.833 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -61.97 -42.65 99.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.149 0.579 . . . . 43.41 110.689 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 31.7 m80 -70.9 -28.56 64.63 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.906 -0.588 . . . . 71.51 111.878 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.93 -36.65 27.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.531 -0.304 . . . . 64.13 111.417 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.43 128.43 36.16 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.324 0.583 . . . . 64.22 112.16 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.3 t70 . . . . . 0 C--N 1.296 -1.719 0 N-CA-C 107.148 -1.427 . . . . 70.22 107.148 176.963 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 121.07 0.462 . . . . 74.32 110.336 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.57 77.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.132 -0.94 . . . . 75.54 110.909 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' A' ' 108' ' ' TYR . 67.2 mt -60.44 -44.06 95.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 109.438 -0.578 . . . . 62.14 109.438 176.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -64.76 -43.55 92.93 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.961 -0.563 . . . . 74.3 111.079 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.9 -39.7 79.58 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 116.644 -0.253 . . . . 75.32 111.656 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -63.57 -39.8 95.32 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.265 0.555 . . . . 74.4 109.675 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.05 76.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.57 -0.741 . . . . 73.35 109.758 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -60.65 -41.51 95.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.297 -0.411 . . . . 73.11 110.525 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -58.96 -39.14 80.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.483 1.113 . . . . 74.12 111.059 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 . . . . . 0 C--N 1.316 -0.872 0 N-CA-C 112.279 0.474 . . . . 63.1 112.279 178.48 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.24 0.589 0 N-CA-C 111.321 -0.3 . . . . 71.3 111.321 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.3 71.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.935 -0.575 . . . . 64.31 110.075 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.02 -32.07 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 63.04 110.088 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.75 -39.56 60.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.04 110.248 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.026 -0.731 . . . . 72.15 109.026 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.817 -1.083 . . . . 71.21 110.256 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.91 93.75 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.563 -0.744 . . . . 44.12 110.431 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.469 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.0 t80 -58.23 -43.31 87.67 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.194 0.997 . . . . 72.43 110.635 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -72.52 -39.87 67.25 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.451 -0.795 . . . . 72.31 112.562 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.992 0 CA-C-O 120.758 0.314 . . . . 64.33 111.749 179.772 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 108.278 -1.008 . . . . 71.22 108.278 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.17 -37.26 79.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.575 -1.193 . . . . 74.35 110.286 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 108' ' ' TYR . 49.8 mt -64.93 -41.11 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.047 -0.723 . . . . 73.31 109.047 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -62.87 -41.25 99.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.155 -0.93 . . . . 73.55 110.242 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.15 -46.21 81.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.241 0.543 . . . . 65.31 110.135 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.12 -43.11 91.92 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.479 -0.782 . . . . 74.45 110.14 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.84 99.18 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.327 -0.851 . . . . 53.44 110.374 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -68.12 -37.2 80.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.683 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -63.94 -45.35 89.56 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.619 0.247 . . . . 74.11 111.185 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 . . . . . 0 CA--C 1.501 -0.912 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.213 179.062 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.464 ' O ' HG13 ' A' ' 105' ' ' ILE . 21.8 Cg_exo . . . . . 0 C--O 1.231 0.161 0 N-CA-C 111.797 -0.117 . . . . 52.41 111.797 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -27.85 68.33 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.184 0.516 . . . . 60.42 109.704 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.55 -44.9 93.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.041 -0.982 . . . . 74.41 109.376 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.6 -34.79 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.092 -0.958 . . . . 61.12 110.247 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 101' ' ' PRO . 66.0 mt -64.71 -43.98 96.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.705 -0.679 . . . . 72.22 110.542 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.54 -40.29 95.32 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.262 0.553 . . . . 63.21 109.676 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.92 88.18 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.493 -0.776 . . . . 61.34 109.929 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.481 ' CD1' HG12 ' A' ' 83' ' ' ILE . 74.7 t80 -56.26 -52.64 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 124.152 0.981 . . . . 74.34 111.348 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -63.43 -34.18 77.17 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.55 0.574 . . . . 74.33 112.55 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.771 0 N-CA-C 112.894 0.702 . . . . 73.41 112.894 -179.73 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.272 0 CA-C-O 120.82 0.343 . . . . 51.32 110.895 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.91 77.49 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.992 -0.549 . . . . 64.42 110.337 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.7 mt -68.15 -39.72 81.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.906 -0.775 . . . . 63.24 108.906 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 61.8 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.67 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.698 -0.683 . . . . 63.32 111.287 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.454 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 74.7 t90 -61.35 -37.99 85.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.676 0.75 . . . . 74.12 109.624 176.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.14 96.01 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.471 -0.786 . . . . 62.15 110.52 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 24.2 mtp180 -67.36 -37.71 83.64 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.447 0.642 . . . . 74.01 110.144 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 50.3 ttt180 -57.81 -43.5 85.73 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.778 -1.101 . . . . 74.11 110.61 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 . . . . . 0 C--N 1.316 -0.872 0 CA-C-N 116.039 -0.528 . . . . 44.31 112.346 178.444 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo . . . . . 0 CA--C 1.514 -0.509 0 CA-C-O 120.87 0.279 . . . . 64.12 112.705 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.69 -39.87 59.06 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.333 1.053 . . . . 30.43 110.062 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.18 -47.18 78.82 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 114.801 -1.09 . . . . 70.03 110.702 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.74 -41.02 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.45 0.469 . . . . 50.1 110.447 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.45 -48.59 86.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.725 -0.671 . . . . 65.32 110.549 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.93 -40.67 95.4 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.299 -0.41 . . . . 74.45 110.282 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.97 89.41 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.604 -0.726 . . . . 71.52 110.534 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.59 -42.33 96.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 62.11 109.775 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -75.39 -24.59 57.23 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.364 -0.834 . . . . 72.31 112.19 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.12 0 N-CA-C 111.988 0.366 . . . . 62.12 111.988 -178.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.858 0 N-CA-C 108.608 -0.886 . . . . 73.25 108.608 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.96 -32.97 74.7 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.952 -1.022 . . . . 73.2 110.208 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.465 HG12 ' CD1' ' A' ' 108' ' ' TYR . 66.2 mt -60.11 -44.12 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.954 -0.758 . . . . 53.12 108.954 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.07 -44.9 94.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.161 -0.927 . . . . 71.32 110.257 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.33 -32.15 66.27 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.914 0.709 . . . . 63.11 112.914 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -64.33 -40.41 95.84 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.702 0.763 . . . . 65.32 108.96 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.91 87.47 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.311 -0.858 . . . . 73.23 109.44 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -63.28 -34.89 78.67 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.371 0.508 . . . . 60.44 112.371 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -60.93 -39.35 89.11 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.281 0.632 . . . . 64.4 109.333 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 . . . . . 0 C--N 1.314 -0.939 0 CA-C-N 115.286 -0.87 . . . . 72.02 111.0 176.932 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo . . . . . 0 N--CA 1.459 -0.501 0 CA-C-O 121.123 0.385 . . . . 74.41 112.073 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.63 71.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.498 -0.774 . . . . 74.12 110.239 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.096 -0.956 . . . . 71.43 110.71 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 t -71.82 -35.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 CA-C-N 115.111 -0.95 . . . . 75.51 110.113 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.21 -43.89 99.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.025 -0.534 . . . . 74.44 109.681 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.0 -45.22 95.7 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.774 -0.648 . . . . 52.31 110.031 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.91 87.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.954 -1.021 . . . . 60.53 110.498 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.465 ' CD1' HG12 ' A' ' 83' ' ' ILE . 76.8 t80 -61.16 -45.71 93.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.992 0.517 . . . . 75.34 110.839 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -69.74 -23.19 63.35 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 113.014 0.746 . . . . 74.2 113.014 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.205 0 N-CA-C 109.956 -0.387 . . . . 73.22 109.956 176.265 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . . . . . . 0 C--O 1.241 0.643 0 CA-C-O 120.607 0.241 . . . . 73.35 110.811 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.89 81.95 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.304 -0.862 . . . . 73.31 110.866 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.418 HG12 ' CD1' ' A' ' 108' ' ' TYR . 77.9 mt -61.66 -44.19 98.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 116.299 -0.41 . . . . 65.43 109.991 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 81' ' ' ALA . 24.8 mtp-105 -62.28 -45.7 92.09 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.928 -0.578 . . . . 75.1 110.34 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.42 -43.55 90.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.392 -0.822 . . . . 72.45 111.826 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -61.66 -44.54 96.77 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.951 0.501 . . . . 73.42 109.988 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -53.09 62.05 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.554 -0.748 . . . . 43.24 111.406 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -68.5 -30.88 69.8 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.008 -0.542 . . . . 75.55 111.341 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -64.38 -44.18 92.17 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.392 -0.595 . . . . 72.22 109.392 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 . . . . . 0 CA--C 1.493 -1.213 0 CA-C-N 115.991 -0.55 . . . . 75.23 110.508 176.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo . . . . . 0 N--CA 1.456 -0.719 0 CA-C-O 120.904 0.293 . . . . 63.44 112.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.84 -30.74 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.301 -0.863 . . . . 71.22 109.453 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.5 -38.18 90.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.883 -1.053 . . . . 74.21 110.659 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.76 -36.67 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 60.03 109.754 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.4 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.556 -0.747 . . . . 73.24 109.963 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.38 -39.56 94.1 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.384 -0.599 . . . . 51.33 109.384 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.58 93.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.729 -0.668 . . . . 72.24 110.22 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.418 ' CD1' HG12 ' A' ' 83' ' ' ILE . 85.0 t80 -60.63 -47.54 85.76 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.888 0.875 . . . . 64.31 110.402 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -74.55 -17.18 60.77 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.215 -0.902 . . . . 74.0 112.759 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.922 0 N-CA-C 111.883 0.327 . . . . 73.12 111.883 178.1 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 CA--C 1.507 -0.681 0 N-CA-C 110.095 -0.335 . . . . 73.52 110.095 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.99 74.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 73.42 111.447 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.464 HG12 ' CD2' ' A' ' 108' ' ' TYR . 75.0 mt -62.55 -46.72 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.471 -0.566 . . . . 64.34 109.471 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -61.35 -42.19 98.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.776 -0.647 . . . . 72.01 109.676 179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 3.9 mm-40 -69.68 -38.03 76.88 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 115.655 -0.702 . . . . 62.41 111.142 -177.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.466 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 73.8 t90 -64.74 -42.25 95.34 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.748 0.785 . . . . 72.32 109.083 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.57 91.33 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.274 -0.875 . . . . 64.54 110.556 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 85' ' ' GLU . 74.1 mtm180 -75.07 -32.12 61.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.768 0.318 . . . . 75.35 110.907 176.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 61.1 ttt180 -57.04 -43.32 81.86 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.187 1.395 . . . . 71.12 108.948 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 . . . . . 0 C--N 1.316 -0.878 0 CA-C-N 114.85 -1.068 . . . . 74.32 110.44 175.653 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.459 -0.529 0 N-CA-C 110.812 -0.495 . . . . 74.3 110.812 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.77 72.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.855 -0.611 . . . . 72.42 109.726 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.76 -37.58 88.08 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.041 -0.981 . . . . 51.42 110.029 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -68.78 -42.73 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 74.34 110.327 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.33 -49.89 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 63.23 110.349 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.78 -37.31 84.33 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.035 -0.53 . . . . 65.42 110.778 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.59 98.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.738 -0.664 . . . . 72.54 109.887 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.464 ' CD2' HG12 ' A' ' 83' ' ' ILE . 61.2 t80 -59.32 -45.21 91.97 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.632 0.773 . . . . 70.11 110.694 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -70.06 -24.23 63.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.983 -0.553 . . . . 74.33 112.264 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.755 0 CA-C-O 121.096 0.474 . . . . 44.14 110.708 176.126 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.752 0.31 . . . . 72.02 111.148 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.76 76.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.565 . . . . 43.22 110.64 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.75 -39.91 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.848 -0.615 . . . . 61.24 109.569 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.13 -38.37 78.8 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.913 0.387 . . . . 74.41 109.959 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 30.6 mm-40 -64.05 -44.2 93.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.914 -0.585 . . . . 64.1 110.019 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.78 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.585 0.754 . . . . 62.2 110.152 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.43 85.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.073 -0.512 . . . . 73.35 110.574 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -70.54 -31.34 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.95 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.09 -39.56 92.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.898 -0.778 . . . . 73.31 108.898 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 . . . . . 0 C--N 1.305 -1.354 0 CA-C-N 115.88 -0.6 . . . . 65.53 110.629 176.747 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo . . . . . 0 N--CA 1.456 -0.734 0 CA-C-O 120.957 0.315 . . . . 73.33 111.904 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.17 -33.15 68.91 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 123.502 0.721 . . . . 34.12 109.777 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.97 -40.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.361 -0.836 . . . . 62.31 109.47 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.55 -40.67 82.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.51 -0.768 . . . . 53.53 110.501 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.412 ' O ' ' HD2' ' A' ' 109' ' ' HIS . 71.3 mt -60.79 -48.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.914 0.387 . . . . 73.01 110.241 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.08 -38.48 88.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.338 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.8 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.015 -0.538 . . . . 23.05 109.897 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.59 -48.04 80.48 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.762 0.825 . . . . 73.14 110.729 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.412 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 70.0 m-70 -71.56 -26.16 62.51 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 112.808 0.669 . . . . 72.33 112.808 -178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.97 0 N-CA-C 112.899 0.703 . . . . 55.2 112.899 -178.8 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.213 -0.817 0 N-CA-C 109.62 -0.511 . . . . 74.11 109.62 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.91 97.05 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.181 0.515 . . . . 73.51 110.74 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.2 mt -63.71 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.51 -0.768 . . . . 63.22 109.75 178.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.34 -35.62 78.04 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.446 -0.343 . . . . 74.13 111.327 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 8.9 mm-40 -62.84 -45.98 90.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.064 0.459 . . . . 64.32 110.288 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -64.64 -41.15 96.35 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-O 121.586 0.708 . . . . 74.12 109.686 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.68 93.66 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.163 -0.926 . . . . 73.42 110.605 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -68.58 -31.42 70.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.699 0.259 . . . . 71.24 111.699 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -61.07 -45.51 94.43 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.383 -0.599 . . . . 74.02 109.383 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 . . . . . 0 CA--C 1.506 -0.736 0 CA-C-N 115.382 -0.826 . . . . 75.54 111.176 178.42 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo . . . . . 0 N--CA 1.458 -0.594 0 N-CA-C 111.07 -0.396 . . . . 64.32 111.07 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.69 71.63 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.688 -0.856 . . . . 52.04 108.688 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.05 -43.22 91.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.405 -1.271 . . . . 72.35 109.581 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.59 -40.35 81.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.858 -0.61 . . . . 73.34 110.157 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.26 -44.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.044 -0.525 . . . . 63.52 110.262 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.27 -40.83 96.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.123 -0.489 . . . . 75.34 110.055 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 74.24 110.453 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.19 -42.49 99.33 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 124.056 0.942 . . . . 72.23 110.938 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -75.32 -27.08 59.12 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.87 -0.605 . . . . 74.22 112.32 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.853 0 CA-C-N 116.472 -0.331 . . . . 73.42 111.384 178.889 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.866 0 N-CA-C 108.825 -0.806 . . . . 61.24 108.825 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.54 71.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.537 -0.756 . . . . 63.34 110.759 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 108' ' ' TYR . 60.4 mt -69.95 -43.76 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.754 -0.832 . . . . 73.25 108.754 177.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.59 -39.61 80.85 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.822 -0.627 . . . . 73.02 110.362 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 22.9 mm-40 -60.61 -58.39 8.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.439 -0.8 . . . . 65.23 110.059 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -53.94 -41.45 67.75 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.977 0.911 . . . . 72.54 110.916 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.01 75.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 62.32 110.585 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.484 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -71.02 -24.81 62.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.601 0.223 . . . . 72.1 111.601 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 83.1 mtt180 -67.52 -43.12 81.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.648 -0.501 . . . . 75.21 109.648 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 115.866 -0.606 . . . . 60.22 110.968 177.872 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo . . . . . 0 N--CA 1.46 -0.484 0 CA-C-O 121.168 0.403 . . . . 70.33 111.773 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.57 72.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.357 -0.838 . . . . 75.13 109.527 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -41.83 91.07 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.185 -0.916 . . . . 73.41 109.428 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.28 -40.32 82.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 115.655 -0.702 . . . . 63.43 110.437 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.36 -47.33 92.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.266 -0.425 . . . . 70.22 110.597 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.56 -43.7 93.07 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.304 -0.407 . . . . 64.54 110.134 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.89 89.2 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.516 0.51 . . . . 41.01 110.624 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.419 ' CD2' HG12 ' A' ' 83' ' ' ILE . 86.6 t80 -61.52 -42.14 98.36 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.343 0.657 . . . . 61.44 111.028 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -76.19 -27.77 57.02 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.472 0.545 . . . . 63.4 112.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.313 -0.99 0 N-CA-C 111.985 0.365 . . . . 44.44 111.985 -178.915 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . . . . . . 0 C--O 1.246 0.903 0 CA-C-O 121.348 0.594 . . . . 60.32 109.454 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.2 71.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.803 -1.09 . . . . 54.04 110.034 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.26 -43.9 84.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.427 -0.583 . . . . 72.1 109.427 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 42.7 mtp180 -58.47 -46.96 85.57 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.271 0.557 . . . . 71.2 110.375 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.1 -40.87 86.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.489 -0.778 . . . . 74.02 110.959 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.83 -42.71 99.37 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.783 0.801 . . . . 64.51 109.34 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.86 95.63 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.022 -0.99 . . . . 62.35 110.852 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 41.8 mtm105 -70.49 -33.13 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.337 0.589 . . . . 74.54 110.373 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -65.97 -34.47 78.18 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.171 0.986 . . . . 73.4 109.096 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 . . . . . 0 C--N 1.291 -1.952 0 CA-C-N 114.331 -1.304 . . . . 65.13 112.538 -179.63 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.475 ' O ' HG13 ' A' ' 105' ' ' ILE . 32.4 Cg_exo . . . . . 0 N--CA 1.471 0.188 0 CA-C-O 120.785 0.244 . . . . 75.33 112.189 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.2 -28.47 69.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.789 0.836 . . . . 54.1 110.29 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -46.28 89.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 108.545 -0.909 . . . . 61.34 108.545 174.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.97 -38.39 81.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.006 0 CA-C-N 114.624 -1.171 . . . . 70.3 110.501 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 101' ' ' PRO . 60.8 mt -62.52 -47.56 92.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.254 -0.43 . . . . 73.24 111.719 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.2 -36.63 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.783 -0.767 . . . . 75.0 109.948 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.44 99.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 73.33 109.89 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.29 -47.81 83.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 123.812 0.845 . . . . 75.4 110.797 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -71.34 -28.0 63.77 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 113.119 0.785 . . . . 70.11 113.119 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.966 0 C-N-CA 120.734 -0.386 . . . . 72.24 111.456 178.504 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.833 -0.432 . . . . 71.21 109.833 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.65 94.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.405 -0.816 . . . . 72.42 110.644 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.3 mt -61.94 -43.98 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.953 -0.567 . . . . 74.11 109.857 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -59.42 -46.18 89.44 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.616 -0.265 . . . . 62.42 111.362 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 14.3 mm-40 -63.31 -41.58 98.96 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.52 -0.309 . . . . 73.54 111.403 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.485 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 78.4 t90 -66.66 -41.0 88.87 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-O 121.775 0.798 . . . . 54.12 110.21 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.25 91.37 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.135 -0.938 . . . . 63.31 110.499 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -69.77 -31.84 70.0 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.287 -0.415 . . . . 71.21 110.7 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 29.9 ttt180 -56.88 -45.63 82.39 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.775 -0.824 . . . . 64.13 108.775 174.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 . . . . . 0 C--N 1.322 -0.596 0 CA-C-N 115.089 -0.959 . . . . 62.42 110.541 176.356 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.441 ' O ' HG13 ' A' ' 105' ' ' ILE . 51.9 Cg_exo . . . . . 0 CA--C 1.515 -0.439 0 CA-C-O 120.747 0.228 . . . . 64.35 111.883 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.38 -34.17 73.51 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.747 -0.66 . . . . 72.33 109.925 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -58.75 -43.54 90.31 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 115.283 -0.871 . . . . 63.43 109.932 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.22 -40.7 87.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-N 115.324 -0.853 . . . . 75.01 110.352 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 101' ' ' PRO . 67.0 mt -61.17 -48.11 90.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.784 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.627 -0.509 . . . . 72.2 109.627 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.37 95.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 70.33 110.547 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -58.92 -42.41 89.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 123.704 0.802 . . . . 70.25 110.724 177.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -75.24 -35.02 61.47 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.479 -0.782 . . . . 60.15 112.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.911 0 N-CA-C 111.788 0.292 . . . . 75.54 111.788 -179.263 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.53 0 CA-C-O 121.143 0.497 . . . . 22.34 110.31 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.78 83.63 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.117 -0.947 . . . . 63.13 110.526 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -66.52 -38.72 82.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 109.113 -0.699 . . . . 73.45 109.113 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 53.5 mtp180 -62.08 -44.92 95.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.731 . . . . 62.03 109.386 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.2 -44.08 76.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 73.34 110.999 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -59.0 -40.8 86.02 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.417 0.627 . . . . 63.21 109.877 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.61 75.01 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.581 -0.736 . . . . 63.24 110.051 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 17.1 mtm180 -63.04 -37.78 88.54 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 110.11 -0.33 . . . . 64.13 110.11 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.9 -45.52 82.55 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.012 0.925 . . . . 73.11 109.788 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 . . . . . 0 CA--C 1.513 -0.477 0 CA-C-N 115.46 -0.791 . . . . 74.52 111.926 179.625 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo . . . . . 0 N--CA 1.456 -0.709 0 CA-C-O 121.274 0.448 . . . . 62.15 112.305 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.43 71.55 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.133 -0.939 . . . . 72.22 109.653 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.33 -42.32 95.38 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.505 -1.294 . . . . 62.22 107.505 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.21 -41.08 83.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 114.736 -1.12 . . . . 63.42 110.571 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.69 -43.76 95.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.842 0.353 . . . . 72.42 110.573 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.774 -0.371 . . . . 75.02 110.237 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.13 98.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.051 -0.522 . . . . 71.02 110.166 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.94 -40.45 93.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.83 0.852 . . . . 74.03 110.862 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -78.69 -26.25 44.88 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 112.732 0.642 . . . . 73.44 112.732 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.094 0 CA-C-O 121.019 0.438 . . . . 60.32 111.609 178.566 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.705 0.288 . . . . 62.33 110.911 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.58 81.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 53.25 111.041 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 83.7 mt -63.81 -39.53 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.545 178.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 13.6 mtm180 -63.7 -47.61 80.46 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.661 -0.866 . . . . 63.2 108.661 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 38.4 mm-40 -60.76 -45.84 92.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.02 -0.991 . . . . 73.34 109.966 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -58.36 -46.18 86.79 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.514 0.726 . . . . 61.41 110.12 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.61 98.63 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.512 -0.767 . . . . 74.44 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 26.4 mtp180 -68.46 -35.72 77.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.675 0.274 . . . . 73.31 110.303 178.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.44 -37.74 81.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.741 0.816 . . . . 74.43 110.077 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 . . . . . 0 C--N 1.316 -0.855 0 CA-C-N 115.988 -0.551 . . . . 61.45 111.144 176.806 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo . . . . . 0 CA--C 1.516 -0.407 0 CA-C-O 121.246 0.436 . . . . 64.35 111.571 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.79 -38.82 76.15 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.271 1.028 . . . . 64.14 110.954 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.82 -33.39 75.75 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.033 -0.53 . . . . 55.41 109.844 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 t -70.56 -38.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 116.021 -0.536 . . . . 74.15 110.39 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.78 -46.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.196 0.522 . . . . 75.04 109.656 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.81 -43.1 97.27 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.393 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.82 -0.627 . . . . 74.42 110.286 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -56.08 -51.24 68.59 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.045 0.938 . . . . 65.02 110.399 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -65.95 -31.36 72.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.263 -0.88 . . . . 74.1 112.378 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.094 0 CA-C-O 120.683 0.277 . . . . 71.11 111.48 -179.706 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 109.027 -0.731 . . . . 74.23 109.027 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.704 -0.68 . . . . 73.33 110.322 176.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.1 mt -63.78 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.414 -0.587 . . . . 71.14 109.414 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 37.6 mtp180 -61.66 -44.24 97.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.593 -0.276 . . . . 64.24 110.723 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 46.6 mt-10 -62.03 -46.85 87.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 53.05 110.196 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.11 -42.07 89.69 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 123.539 0.736 . . . . 71.53 110.044 175.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.8 71.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.537 -0.756 . . . . 61.3 111.069 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 75.8 mtp180 -75.47 -34.52 60.91 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.097 0.559 . . . . 75.05 110.904 176.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 85.7 mtt180 -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.31 0.576 . . . . 64.42 109.587 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 . . . . . 0 C--N 1.312 -1.029 0 CA-C-N 115.387 -0.824 . . . . 64.24 111.673 179.21 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo . . . . . 0 N--CA 1.445 -1.343 0 N-CA-C 111.118 -0.378 . . . . 70.12 111.118 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.64 68.67 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 108.969 -0.752 . . . . 71.21 108.969 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -61.87 -41.39 97.8 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.852 -1.067 . . . . 74.0 109.052 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.92 -42.07 77.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 115.048 -0.978 . . . . 73.14 110.215 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.25 -42.8 96.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.916 -0.584 . . . . 74.21 109.72 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.36 -42.51 98.81 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.586 -0.734 . . . . 73.33 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.39 94.22 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.167 -0.924 . . . . 50.41 110.398 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -60.41 -41.54 94.13 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.34 0.656 . . . . 70.55 110.763 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -73.3 -27.81 61.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.683 -0.69 . . . . 74.51 111.46 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 CA-C-O 121.474 0.654 . . . . 71.21 109.806 176.358 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.444 -0.731 0 N-CA-C 110.882 -0.044 . . . . 62.02 110.882 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.53 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.332 0.395 . . . . 71.42 110.327 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.404 HG12 ' CD2' ' A' ' 108' ' ' TYR . 83.4 mt -63.23 -43.71 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.266 -0.642 . . . . 72.34 109.266 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -64.08 -37.43 87.42 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.309 -0.405 . . . . 74.14 110.436 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 13.7 mm-40 -60.25 -54.39 46.34 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 123.321 0.388 . . . . 62.22 110.444 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -55.41 -44.12 75.91 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.753 0.821 . . . . 74.13 110.187 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.39 -49.48 77.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.616 -0.72 . . . . 60.44 110.329 177.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.93 -41.83 92.63 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.509 0.724 . . . . 72.25 111.165 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 95.9 mtt180 -64.76 -36.24 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.1 -0.5 . . . . 73.44 111.087 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 CA--C 1.504 -0.807 0 CA-C-N 116.323 -0.398 . . . . 61.33 111.148 176.666 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo . . . . . 0 N--CA 1.451 -1.021 0 N-CA-C 110.478 -0.624 . . . . 74.3 110.478 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.755 -0.657 . . . . 72.32 109.229 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -44.26 92.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.885 -1.052 . . . . 74.24 109.83 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.01 -43.42 89.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.758 -0.655 . . . . 62.44 110.293 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.25 -45.39 98.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.292 0.568 . . . . 74.32 110.238 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.13 -40.73 90.86 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.748 -0.66 . . . . 64.3 110.391 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.41 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 116.009 -0.541 . . . . 72.52 109.939 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CD2' HG12 ' A' ' 83' ' ' ILE . 77.0 t80 -59.01 -41.71 88.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 123.518 0.727 . . . . 71.3 110.907 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -75.98 -33.91 59.77 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.707 0.632 . . . . 55.23 112.707 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.787 0 CA-C-O 121.37 0.605 . . . . 62.42 111.043 178.74 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.601 0 N-CA-C 109.919 -0.4 . . . . 74.24 109.919 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.15 94.81 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.922 -0.581 . . . . 72.34 109.569 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.37 -43.39 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.21 -0.904 . . . . 52.22 109.237 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -61.99 -46.94 87.04 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.827 -0.624 . . . . 75.11 111.033 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -61.09 -43.84 98.27 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 122.59 0.356 . . . . 74.23 111.301 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.48 -44.91 92.93 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.538 0.685 . . . . 72.14 109.54 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.89 99.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.415 -0.811 . . . . 71.4 110.909 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -67.19 -37.19 83.26 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.496 0.719 . . . . 74.43 110.136 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.33 -36.84 85.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.362 -0.836 . . . . 75.31 110.238 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 . . . . . 0 C--N 1.314 -0.936 0 CA-C-O 121.25 0.548 . . . . 74.15 110.401 175.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 N--CA 1.457 -0.66 0 CA-C-O 121.025 0.344 . . . . 64.1 111.272 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.12 72.12 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.574 -0.739 . . . . 64.42 110.161 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.39 -34.21 77.45 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.472 -0.786 . . . . 73.3 109.829 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.104 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 75.7 mt -60.97 -45.35 98.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.176 0.512 . . . . 61.51 109.793 176.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.57 -40.99 93.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.7 -0.682 . . . . 70.31 110.374 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.83 99.21 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.895 -0.593 . . . . 74.24 110.154 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 60.4 t80 -56.46 -44.19 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.787 0.835 . . . . 72.13 110.638 176.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -72.67 -39.52 67.04 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.391 -0.822 . . . . 73.01 112.556 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.94 0 N-CA-C 112.532 0.567 . . . . 72.42 112.532 -178.425 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.832 0 N-CA-C 110.214 -0.291 . . . . 54.31 110.214 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.33 78.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.57 -0.741 . . . . 71.34 111.273 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -71.13 -45.1 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 109.26 -0.644 . . . . 61.13 109.26 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -60.46 -41.03 93.27 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.341 -0.39 . . . . 74.0 110.914 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.91 -39.88 69.22 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.075 -0.511 . . . . 73.24 111.85 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.46 -46.3 90.65 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 121.759 0.79 . . . . 71.04 109.286 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.83 -49.66 75.41 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 114.722 -1.127 . . . . 72.41 111.591 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -76.82 -17.69 58.85 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.004 0.372 . . . . 54.42 112.004 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -68.65 -42.32 78.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.598 -1.26 . . . . 64.2 107.598 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 . . . . . 0 CA--C 1.51 -0.588 0 CA-C-N 115.155 -0.929 . . . . 72.44 110.97 176.107 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo . . . . . 0 N--CA 1.453 -0.894 0 N-CA-C 111.097 -0.386 . . . . 74.04 111.097 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.64 69.96 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.935 -0.575 . . . . 74.12 109.742 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.51 -41.43 98.84 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.227 -0.897 . . . . 74.34 109.495 173.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.16 -41.86 84.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-N 115.581 -0.736 . . . . 51.44 110.211 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.08 -46.9 93.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.22 -35.83 81.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.425 . . . . 64.12 110.099 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.65 91.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.706 -0.679 . . . . 75.04 110.344 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.78 -39.45 88.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.312 0.645 . . . . 72.44 110.375 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -77.28 -27.07 52.98 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.806 -0.634 . . . . 71.35 112.603 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.896 0 CA-C-O 120.884 0.373 . . . . 42.2 111.848 -179.789 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.363 0 CA-C-O 121.19 0.519 . . . . 64.2 110.048 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.76 73.64 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.302 -0.863 . . . . 73.52 110.204 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CD2' ' A' ' 108' ' ' TYR . 56.3 mt -68.89 -42.57 82.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.019 -0.734 . . . . 72.43 109.019 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 75.0 mtt180 -60.82 -44.46 96.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.808 -0.633 . . . . 64.4 110.432 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -74.34 -30.63 62.11 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 112.437 0.532 . . . . 73.23 112.437 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.457 ' CG ' ' HD1' ' A' ' 108' ' ' TYR . 57.4 t90 -66.38 -36.18 82.21 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.066 -0.716 . . . . 71.14 109.066 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.16 -42.12 96.86 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.268 -0.878 . . . . 33.4 109.451 176.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.0 mmt180 -62.95 -43.89 97.55 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.057 -0.72 . . . . 74.3 109.057 176.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 37.5 ttm180 -54.55 -44.2 72.68 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.468 1.507 . . . . 72.11 110.76 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 . . . . . 0 CA--C 1.495 -1.143 0 CA-C-N 116.083 -0.508 . . . . 55.32 110.933 177.57 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo . . . . . 0 C--O 1.239 0.561 0 CA-C-O 121.351 0.479 . . . . 61.54 111.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.34 -35.69 72.28 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.01 -0.996 . . . . 61.44 110.032 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.86 -41.42 91.45 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.259 -0.882 . . . . 70.1 109.983 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -66.52 -40.87 87.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.858 -0.61 . . . . 73.45 110.292 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.97 -48.41 86.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.163 -0.472 . . . . 63.31 110.898 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -35.69 80.35 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 120.574 0.226 . . . . 72.05 111.274 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.78 93.87 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.255 -0.43 . . . . 71.24 109.841 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.488 ' CD2' HG12 ' A' ' 83' ' ' ILE . 89.3 t80 -58.58 -47.55 83.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.909 0.484 . . . . 72.42 110.965 178.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -69.79 -29.53 66.86 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 113.146 0.795 . . . . 71.13 113.146 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.239 0.539 0 C-N-CA 120.409 -0.516 . . . . 51.33 111.21 178.808 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 110.02 -0.363 . . . . 62.32 110.02 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.87 87.01 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.34 111.065 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.67 -43.29 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.133 -0.485 . . . . 65.33 110.229 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -63.32 -45.97 88.87 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.053 -0.521 . . . . 62.34 110.488 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 28.6 mm-40 -64.21 -42.08 96.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.633 -0.712 . . . . 73.4 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -57.54 -48.16 80.05 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.76 0.824 . . . . 74.31 109.268 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.95 -49.57 77.18 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.221 -0.9 . . . . 52.24 110.905 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -71.91 -15.19 62.09 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.976 -0.556 . . . . 70.11 111.46 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -78.4 -45.45 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.658 -0.867 . . . . 71.52 108.658 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 . . . . . 0 C--N 1.307 -1.273 0 CA-C-N 114.304 -1.317 . . . . 64.43 111.941 -176.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo . . . . . 0 N--CA 1.445 -1.345 0 CA-C-O 121.303 0.46 . . . . 64.11 111.531 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.78 74.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.233 -0.894 . . . . 72.51 108.765 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.15 -35.97 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.143 -0.935 . . . . 71.34 109.921 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.9 t -68.38 -37.43 77.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.125 -0.488 . . . . 73.15 109.721 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.25 -44.4 99.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.696 -0.483 . . . . 65.32 109.696 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.57 -41.8 97.92 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.604 -0.517 . . . . 74.3 109.604 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.55 85.27 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-N 115.357 -0.838 . . . . 73.45 110.078 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.57 -39.22 76.26 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.705 0.802 . . . . 61.44 110.606 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -81.68 -18.27 45.06 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.542 0.941 . . . . 74.42 113.542 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.863 0 N-CA-C 112.809 0.67 . . . . 72.52 112.809 177.677 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 110.1 -0.333 . . . . 75.5 110.1 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 -34.61 73.18 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.022 -0.535 . . . . 44.12 111.564 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 52.4 mt -67.45 -39.74 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.839 -0.43 . . . . 74.1 109.839 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 -63.47 -46.03 88.06 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 74.41 108.565 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 34.0 mm-40 -62.51 -47.11 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.756 -1.111 . . . . 73.34 110.347 -177.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.32 -42.85 82.65 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 115.739 -0.664 . . . . 72.24 109.98 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.41 -41.64 97.47 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.427 -0.806 . . . . 55.42 110.914 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -72.33 -30.21 64.54 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 111.762 0.282 . . . . 75.42 111.762 179.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.992 -0.373 . . . . 72.23 109.992 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.26 -0.427 . . . . 73.13 111.674 177.683 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo . . . . . 0 N--CA 1.452 -0.951 0 N-CA-C 110.089 -0.774 . . . . 70.14 110.089 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.947 0.499 . . . . 65.11 110.138 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.94 -37.54 87.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.298 -0.865 . . . . 73.04 109.572 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -70.85 -38.08 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.868 -0.606 . . . . 75.14 110.337 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.23 -43.75 98.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.656 -0.498 . . . . 72.52 109.656 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.75 -42.41 97.34 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.62 -0.718 . . . . 71.13 109.597 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.89 96.32 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.244 -0.889 . . . . 65.05 110.833 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -61.97 -42.65 99.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.149 0.579 . . . . 43.41 110.689 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -70.9 -28.56 64.63 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.906 -0.588 . . . . 71.51 111.878 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.027 0 CA-C-N 116.531 -0.304 . . . . 64.13 111.417 177.748 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 49.7 ttm . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 107.912 -1.144 . . . . 63.23 107.912 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 5.5 m 72.83 -46.92 0.66 Allowed 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 124.334 1.054 . . . . 74.13 113.331 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 101.11 45.95 1.8 Allowed Glycine 0 N--CA 1.429 -1.778 0 N-CA-C 109.235 -1.546 . . . . 72.12 109.235 -175.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 13.1 p -66.1 140.89 58.26 Favored 'General case' 0 N--CA 1.432 -1.352 0 C-N-CA 123.424 0.69 . . . . 73.33 111.749 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -78.13 87.83 1.09 Allowed Glycine 0 N--CA 1.435 -1.392 0 N-CA-C 109.297 -1.521 . . . . 71.44 109.297 175.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.8 mpt_? 63.56 70.82 0.51 Allowed 'General case' 0 CA--C 1.508 -0.656 0 C-N-CA 124.372 1.069 . . . . 64.41 110.01 -174.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -68.52 -37.2 85.08 Favored Glycine 0 CA--C 1.495 -1.162 0 N-CA-C 109.562 -1.415 . . . . 75.41 109.562 177.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 31.2 mmm180 66.35 -178.59 0.2 Allowed 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.705 1.202 . . . . 73.14 112.057 176.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 166.34 83.92 0.05 OUTLIER Glycine 0 N--CA 1.428 -1.852 0 N-CA-C 110.702 -0.959 . . . . 70.43 110.702 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -134.94 115.83 14.02 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 109.017 -0.734 . . . . 62.02 109.017 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mm -115.62 146.02 20.6 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.899 0 N-CA-C 106.625 -1.62 . . . . 71.24 106.625 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . 0.267 4.1 m-20 -84.95 71.71 10.89 Favored 'General case' 0 C--N 1.293 -1.85 0 CA-C-O 122.431 1.11 . . . . 43.31 111.891 175.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.3 mtm-85 -179.58 151.09 0.44 Allowed 'General case' 0 CA--C 1.473 -2.005 0 C-N-CA 129.896 3.279 . . . . 74.24 104.762 177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.78 115.5 14.44 Favored 'General case' 0 C--N 1.282 -2.369 0 CA-C-O 121.521 0.677 . . . . 34.51 111.783 -174.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.543 ' O ' HG13 ' A' ' 83' ' ' ILE . 84.2 mm-40 -112.49 -18.68 12.37 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.214 -0.903 . . . . 73.44 111.551 -178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.0 m -56.82 -44.42 82.01 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 112.585 0.587 . . . . 71.45 112.585 -171.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -63.07 -41.12 99.37 Favored 'General case' 0 C--O 1.248 0.975 0 CA-C-O 121.07 0.462 . . . . 74.32 110.336 178.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.14 -36.57 77.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-N 115.132 -0.94 . . . . 75.54 110.909 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.543 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.2 mt -60.44 -44.06 95.43 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 109.438 -0.578 . . . . 62.14 109.438 176.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -64.76 -43.55 92.93 Favored 'General case' 0 C--O 1.224 -0.254 0 CA-C-N 115.961 -0.563 . . . . 74.3 111.079 179.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -68.9 -39.7 79.58 Favored 'General case' 0 C--O 1.215 -0.716 0 CA-C-N 116.644 -0.253 . . . . 75.32 111.656 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 69.9 t90 -63.57 -39.8 95.32 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.265 0.555 . . . . 74.4 109.675 175.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.55 -49.05 76.83 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.57 -0.741 . . . . 73.35 109.758 176.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 53.4 mtp180 -60.65 -41.51 95.1 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.297 -0.411 . . . . 73.11 110.525 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -58.96 -39.14 80.8 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 124.483 1.113 . . . . 74.12 111.059 177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -85.63 -17.71 35.36 Favored 'General case' 0 C--N 1.316 -0.872 0 N-CA-C 112.279 0.474 . . . . 63.1 112.279 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.51 32.59 13.12 Favored Glycine 0 N--CA 1.44 -1.094 0 C-N-CA 120.944 -0.646 . . . . 64.42 111.558 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -81.06 164.86 22.15 Favored 'General case' 0 C--O 1.256 1.411 0 CA-C-O 121.026 0.441 . . . . 54.22 110.113 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -89.06 78.31 7.45 Favored 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 122.025 0.917 . . . . 73.04 110.412 -178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.4 t -136.71 151.59 27.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.037 0 N-CA-C 104.452 -2.425 . . . . 71.3 104.452 177.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 50.7 m 79.68 -39.22 0.2 Allowed 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.646 1.178 . . . . 64.32 110.171 -176.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 26.0 p -86.96 -12.41 47.65 Favored 'General case' 0 N--CA 1.424 -1.741 0 CA-C-O 122.439 1.114 . . . . 40.34 107.997 173.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -123.7 147.72 47.19 Favored 'General case' 0 N--CA 1.432 -1.336 0 N-CA-C 106.572 -1.64 . . . . 71.41 106.572 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.76 154.1 43.09 Favored Glycine 0 C--O 1.254 1.382 0 O-C-N 123.862 0.726 . . . . 61.2 111.838 -178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 63.23 -173.4 0.16 Allowed 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 123.993 0.917 . . . . 75.34 111.694 -177.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt -118.63 120.18 31.98 Favored Pre-proline 0 C--N 1.297 -1.717 0 N-CA-C 106.187 -1.783 . . . . 64.3 106.187 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.7 128.25 27.49 Favored 'Trans proline' 0 C--O 1.24 0.589 0 C-N-CA 122.052 1.835 . . . . 71.3 111.321 177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.71 -33.3 71.43 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.935 -0.575 . . . . 64.31 110.075 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -67.02 -32.07 73.05 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.587 -0.733 . . . . 63.04 110.088 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 11.1 t -72.75 -39.56 60.01 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.04 110.248 176.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.5 mt -61.06 -46.32 96.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 109.026 -0.731 . . . . 72.15 109.026 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-N 114.817 -1.083 . . . . 71.21 110.256 177.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.15 -43.91 93.75 Favored 'General case' 0 C--O 1.207 -1.159 0 CA-C-N 115.563 -0.744 . . . . 44.12 110.431 177.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.469 ' CD1' HG12 ' A' ' 83' ' ' ILE . 77.0 t80 -58.23 -43.31 87.67 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 124.194 0.997 . . . . 72.43 110.635 177.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 -72.52 -39.87 67.25 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-N 115.451 -0.795 . . . . 72.31 112.562 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.16 -34.82 68.77 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 120.758 0.314 . . . . 64.33 111.749 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -69.98 114.94 8.63 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-O 121.511 0.672 . . . . 71.34 112.253 -177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.0 t70 . . . . . 0 C--N 1.29 -2.013 0 CA-C-N 115.074 -0.966 . . . . 72.15 108.999 176.753 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 87.7 mtp . . . . . 0 CA--C 1.51 -0.56 0 N-CA-C 108.285 -1.005 . . . . 51.25 108.285 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.1 p 59.63 -70.79 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 N-CA-C 115.722 1.749 . . . . 72.42 115.722 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -80.17 -179.63 52.7 Favored Glycine 0 C--O 1.247 0.968 0 C-N-CA 121.669 -0.3 . . . . 45.54 113.089 -175.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.2 m -158.44 146.67 18.49 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 108.088 -1.078 . . . . 73.32 108.088 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.12 164.55 40.58 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.679 -0.772 . . . . 73.23 112.589 -176.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -102.09 -47.03 4.67 Favored 'General case' 0 C--N 1.311 -1.081 0 N-CA-C 108.202 -1.036 . . . . 65.12 108.202 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.33 -69.79 2.52 Favored Glycine 0 N--CA 1.428 -1.89 0 CA-C-N 115.171 -0.922 . . . . 63.33 111.342 176.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -137.49 168.62 19.29 Favored 'General case' 0 C--N 1.288 -2.108 0 N-CA-C 108.537 -0.912 . . . . 72.41 108.537 -178.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 105.62 -154.2 17.09 Favored Glycine 0 N--CA 1.427 -1.927 0 C-N-CA 120.954 -0.641 . . . . 64.41 112.207 177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -120.04 144.32 47.62 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 107.485 -1.302 . . . . 75.33 107.485 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 13.7 mt -130.41 124.42 57.42 Favored 'Isoleucine or valine' 0 N--CA 1.423 -1.821 0 N-CA-C 108.667 -0.864 . . . . 70.12 108.667 -177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -148.63 133.72 18.23 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.479 -0.563 . . . . 63.21 109.479 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.535 ' HD3' ' H ' ' A' ' 78' ' ' GLU . 16.7 tpp180 -169.68 161.53 9.37 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.351 -0.981 . . . . 65.31 108.351 179.166 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.535 ' H ' ' HD3' ' A' ' 77' ' ' ARG . 36.1 tt0 -50.17 -35.29 25.55 Favored 'General case' 0 N--CA 1.436 -1.135 0 C-N-CA 126.308 1.843 . . . . 72.34 111.243 175.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -74.36 92.67 2.32 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 107.825 -1.176 . . . . 72.32 107.825 171.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.9 -43.9 0.52 Allowed 'General case' 0 C--N 1.293 -1.861 0 CA-C-N 115.486 -0.779 . . . . 63.24 110.325 179.055 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.61 -33.0 70.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 108.278 -1.008 . . . . 71.22 108.278 173.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.17 -37.26 79.65 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.575 -1.193 . . . . 74.35 110.286 176.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.481 HG12 ' CD1' ' A' ' 108' ' ' TYR . 49.8 mt -64.93 -41.11 91.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.047 -0.723 . . . . 73.31 109.047 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -62.87 -41.25 99.31 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.155 -0.93 . . . . 73.55 110.242 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.15 -46.21 81.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.241 0.543 . . . . 65.31 110.135 178.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -59.12 -43.11 91.92 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-N 115.479 -0.782 . . . . 74.45 110.14 177.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.57 -41.84 99.18 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.327 -0.851 . . . . 53.44 110.374 178.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -68.12 -37.2 80.85 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 116.206 -0.452 . . . . 72.4 111.683 178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 70.0 mtt85 -63.94 -45.35 89.56 Favored 'General case' 0 CA--C 1.508 -0.644 0 CA-C-O 120.619 0.247 . . . . 74.11 111.185 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.6 m-80 -72.22 -32.15 66.5 Favored 'General case' 0 CA--C 1.501 -0.912 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.213 179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.47 16.35 34.73 Favored Glycine 0 N--CA 1.428 -1.856 0 N-CA-C 111.124 -0.79 . . . . 72.13 111.124 -179.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -73.49 -37.23 65.79 Favored 'General case' 0 CA--C 1.492 -1.267 0 N-CA-C 106.861 -1.533 . . . . 73.03 106.861 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 70.24 177.35 0.27 Allowed 'General case' 0 CA--C 1.505 -0.758 0 CA-C-N 112.946 -1.934 . . . . 61.22 109.013 -173.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 99' ' ' ARG . 22.9 t -111.54 -87.99 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.281 -2.377 0 C-N-CA 119.336 -0.946 . . . . 61.34 109.509 -176.154 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.431 ' HB2' ' O ' ' A' ' 99' ' ' ARG . 71.1 m -175.85 107.48 0.08 Allowed 'General case' 0 C--O 1.253 1.238 0 N-CA-C 105.72 -1.955 . . . . 70.41 105.72 176.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.4 p -64.74 82.02 0.04 OUTLIER 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 121.825 0.821 . . . . 53.1 112.773 -177.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -170.45 -36.01 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 128.366 2.666 . . . . 73.14 105.851 -176.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 110.0 27.47 4.55 Favored Glycine 0 N--CA 1.438 -1.171 0 N-CA-C 109.586 -1.406 . . . . 44.52 109.586 -175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.456 ' O ' HG12 ' A' ' 94' ' ' VAL . 1.7 tmt_? -108.46 123.37 48.76 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 106.693 -1.595 . . . . 64.11 106.693 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 39.4 mt -101.5 120.01 55.82 Favored Pre-proline 0 C--N 1.299 -1.591 0 N-CA-C 109.456 -0.572 . . . . 62.04 109.456 -178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.464 ' O ' HG13 ' A' ' 105' ' ' ILE . 21.8 Cg_exo -66.81 124.32 12.16 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.589 2.192 . . . . 52.41 111.797 176.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.8 -27.85 68.33 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.184 0.516 . . . . 60.42 109.704 176.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -59.55 -44.9 93.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.041 -0.982 . . . . 74.41 109.376 174.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.5 t -71.6 -34.79 53.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.092 -0.958 . . . . 61.12 110.247 178.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 101' ' ' PRO . 66.0 mt -64.71 -43.98 96.55 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.705 -0.679 . . . . 72.22 110.542 177.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -64.54 -40.29 95.32 Favored 'General case' 0 C--O 1.244 0.81 0 CA-C-O 121.262 0.553 . . . . 63.21 109.676 177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.29 -46.92 88.18 Favored 'General case' 0 C--O 1.212 -0.88 0 CA-C-N 115.493 -0.776 . . . . 61.34 109.929 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.481 ' CD1' HG12 ' A' ' 83' ' ' ILE . 74.7 t80 -56.26 -52.64 63.72 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 124.152 0.981 . . . . 74.34 111.348 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.5 m-70 -63.43 -34.18 77.17 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 112.55 0.574 . . . . 74.33 112.55 -179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -88.81 -14.58 36.69 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.894 0.702 . . . . 73.41 112.894 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.4 137.62 33.29 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 113.689 0.996 . . . . 22.53 113.689 -177.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 . . . . . 0 C--N 1.3 -1.544 0 N-CA-C 107.296 -1.372 . . . . 74.02 107.296 173.295 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.468 0.47 0 N-CA-C 112.366 0.506 . . . . 54.33 112.366 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 p -90.55 118.31 29.91 Favored 'General case' 0 N--CA 1.436 -1.139 0 CA-C-O 121.226 0.536 . . . . 60.21 111.321 -179.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 150.86 -165.87 30.26 Favored Glycine 0 N--CA 1.426 -1.99 0 N-CA-C 110.814 -0.915 . . . . 53.3 110.814 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 22.5 m 70.54 -62.97 0.42 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.037 1.335 . . . . 52.15 112.326 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.65 -133.88 16.55 Favored Glycine 0 N--CA 1.432 -1.613 0 N-CA-C 110.465 -1.054 . . . . 55.43 110.465 -177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 ppt_? -138.03 152.53 48.94 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 110.165 -0.309 . . . . 70.32 110.165 -179.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.7 -27.18 20.48 Favored Glycine 0 N--CA 1.438 -1.202 0 C-N-CA 120.806 -0.711 . . . . 74.24 111.975 -174.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -109.02 151.53 26.23 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 120.383 -0.527 . . . . 65.23 111.016 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -94.13 -12.77 55.97 Favored Glycine 0 N--CA 1.44 -1.084 0 N-CA-C 110.903 -0.879 . . . . 63.11 110.903 177.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -141.28 121.62 13.99 Favored 'General case' 0 N--CA 1.434 -1.263 0 N-CA-C 107.8 -1.185 . . . . 71.11 107.8 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 81.5 mt -118.81 131.54 71.31 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.795 0 CA-C-O 121.073 0.463 . . . . 73.51 110.529 -175.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -165.61 101.49 0.7 Allowed 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 114.294 -1.321 . . . . 72.22 107.718 178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -169.99 -65.99 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.373 0 CA-C-N 114.991 -1.004 . . . . 75.44 108.571 -175.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -93.22 -49.58 5.9 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.759 -0.655 . . . . 61.25 109.618 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -137.68 146.9 44.37 Favored 'General case' 0 N--CA 1.44 -0.929 0 N-CA-C 109.139 -0.689 . . . . 74.51 109.139 179.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.3 p -160.13 -46.63 0.05 OUTLIER 'General case' 0 C--N 1.305 -1.345 0 O-C-N 124.079 0.862 . . . . 73.31 110.327 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.65 -35.11 78.57 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.088 -0.505 . . . . 51.32 110.895 179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.29 -34.91 77.49 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.992 -0.549 . . . . 64.42 110.337 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.7 mt -68.15 -39.72 81.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 108.906 -0.775 . . . . 63.24 108.906 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 61.8 mtt180 -62.61 -43.28 99.19 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.812 -0.631 . . . . 73.5 110.67 176.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -67.39 -42.97 82.48 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.698 -0.683 . . . . 63.32 111.287 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.454 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 74.7 t90 -61.35 -37.99 85.34 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.676 0.75 . . . . 74.12 109.624 176.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.74 -40.14 96.01 Favored 'General case' 0 N--CA 1.436 -1.159 0 CA-C-N 115.471 -0.786 . . . . 62.15 110.52 177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.538 ' HA ' ' OD1' ' A' ' 93' ' ' ASN . 24.2 mtp180 -67.36 -37.71 83.64 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.447 0.642 . . . . 74.01 110.144 177.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 50.3 ttt180 -57.81 -43.5 85.73 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.778 -1.101 . . . . 74.11 110.61 176.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -78.98 -36.14 41.87 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 116.039 -0.528 . . . . 44.31 112.346 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 118.7 6.37 11.53 Favored Glycine 0 N--CA 1.438 -1.172 0 C-N-CA 120.0 -1.095 . . . . 70.14 112.834 179.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -73.59 -40.09 64.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 106.5 -1.667 . . . . 74.4 106.5 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.538 ' OD1' ' HA ' ' A' ' 88' ' ' ARG . 90.4 m-20 61.53 88.92 0.08 Allowed 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 113.691 -1.595 . . . . 75.42 113.605 177.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 44.8 t -97.8 82.51 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.143 0 N-CA-C 107.715 -1.217 . . . . 74.23 107.715 175.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 52.7 m -149.38 32.07 0.73 Allowed 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.316 -1.311 . . . . 64.35 107.867 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.8 p -89.66 16.74 7.36 Favored 'General case' 0 C--N 1.305 -1.328 0 CA-C-N 114.332 -1.304 . . . . 65.42 109.798 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 56.52 74.37 0.4 Allowed 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 125.383 1.473 . . . . 65.23 110.499 -176.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.7 -145.68 6.22 Favored Glycine 0 N--CA 1.424 -2.143 0 C-N-CA 118.875 -1.631 . . . . 41.11 113.628 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 38.0 ttm180 -89.23 167.58 12.97 Favored 'General case' 0 C--N 1.303 -1.431 0 C-N-CA 123.097 0.559 . . . . 71.22 110.339 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 63.1 mt -100.28 127.28 33.54 Favored Pre-proline 0 N--CA 1.432 -1.364 0 N-CA-C 108.703 -0.851 . . . . 72.3 108.703 179.003 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -53.16 131.1 41.39 Favored 'Trans proline' 0 CA--C 1.514 -0.509 0 C-N-CA 123.047 2.498 . . . . 64.12 112.705 173.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -51.69 -39.87 59.06 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 124.333 1.053 . . . . 30.43 110.062 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -56.18 -47.18 78.82 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-N 114.801 -1.09 . . . . 70.03 110.702 174.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 46.2 t -64.74 -41.02 91.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 O-C-N 123.45 0.469 . . . . 50.1 110.447 -178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.45 -48.59 86.38 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.105 0 CA-C-N 115.725 -0.671 . . . . 65.32 110.549 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -64.93 -40.67 95.4 Favored 'General case' 0 CA--C 1.505 -0.76 0 CA-C-N 116.299 -0.41 . . . . 74.45 110.282 -178.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.97 89.41 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 115.604 -0.726 . . . . 71.52 110.534 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -60.59 -42.33 96.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.089 0.471 . . . . 62.11 109.775 176.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 59.0 m-70 -75.39 -24.59 57.23 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 115.364 -0.834 . . . . 72.31 112.19 179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -86.39 -36.87 18.92 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 111.988 0.366 . . . . 62.12 111.988 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.73 132.45 38.14 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-O 120.956 0.408 . . . . 52.03 111.346 -178.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.298 -1.658 0 N-CA-C 108.835 -0.802 . . . . 72.0 108.835 177.827 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 46.2 ttm . . . . . 0 CA--C 1.514 -0.409 0 N-CA-C 108.526 -0.916 . . . . 65.41 108.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.6 m -75.78 91.63 2.96 Favored 'General case' 0 N--CA 1.431 -1.424 0 CA-C-O 121.885 0.85 . . . . 64.15 111.427 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.93 -54.57 0.03 OUTLIER Glycine 0 C--N 1.296 -1.678 0 N-CA-C 106.854 -2.499 . . . . 72.55 106.854 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.3 m -94.43 125.77 39.29 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 105.754 -1.943 . . . . 74.42 105.754 172.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.25 39.68 18.41 Favored Glycine 0 C--O 1.248 1.003 0 N-CA-C 108.85 -1.7 . . . . 62.23 108.85 -173.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -78.34 150.68 33.18 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 114.262 -0.969 . . . . 72.4 111.521 -176.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.59 141.59 5.48 Favored Glycine 0 N--CA 1.416 -2.686 0 N-CA-C 110.117 -1.193 . . . . 71.32 110.117 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -117.18 1.93 12.55 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 109.277 -0.638 . . . . 71.2 109.277 179.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 95.55 -60.73 1.5 Allowed Glycine 0 N--CA 1.439 -1.155 0 N-CA-C 108.289 -1.924 . . . . 74.01 108.289 -173.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -131.07 146.57 52.41 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 105.375 -2.083 . . . . 64.43 105.375 173.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 67.8 mt -69.88 115.69 9.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 CA-C-O 121.969 0.89 . . . . 75.04 111.074 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -140.69 138.22 34.11 Favored 'General case' 0 C--N 1.29 -1.99 0 CA-C-N 114.038 -1.437 . . . . 72.41 108.91 -176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -139.19 160.46 39.75 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 116.583 -0.28 . . . . 72.42 110.903 -177.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 73.68 -38.72 0.41 Allowed 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 125.393 1.477 . . . . 72.53 114.502 172.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.615 ' O ' HG13 ' A' ' 83' ' ' ILE . 33.0 mt-30 -66.58 -25.5 66.66 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 112.216 0.451 . . . . 73.41 112.216 -174.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 22.4 m -68.77 -32.05 71.51 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.356 0.598 . . . . 71.24 110.092 178.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -75.08 -35.87 61.78 Favored 'General case' 0 C--O 1.245 0.858 0 N-CA-C 108.608 -0.886 . . . . 73.25 108.608 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.96 -32.97 74.7 Favored 'General case' 0 C--O 1.203 -1.351 0 CA-C-N 114.952 -1.022 . . . . 73.2 110.208 177.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.615 HG13 ' O ' ' A' ' 79' ' ' GLN . 66.2 mt -60.11 -44.12 94.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 108.954 -0.758 . . . . 53.12 108.954 176.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -63.07 -44.9 94.5 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.161 -0.927 . . . . 71.32 110.257 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -72.33 -32.15 66.27 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 112.914 0.709 . . . . 63.11 112.914 178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.3 t90 -64.33 -40.41 95.84 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 121.702 0.763 . . . . 65.32 108.96 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.51 -46.91 87.47 Favored 'General case' 0 N--CA 1.439 -1.02 0 CA-C-N 115.311 -0.858 . . . . 73.23 109.44 176.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -63.28 -34.89 78.67 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.371 0.508 . . . . 60.44 112.371 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -60.93 -39.35 89.11 Favored 'General case' 0 C--N 1.322 -0.604 0 C-N-CA 123.281 0.632 . . . . 64.4 109.333 178.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -79.37 -31.3 42.87 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 115.286 -0.87 . . . . 72.02 111.0 176.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 106.16 28.87 5.07 Favored Glycine 0 C--N 1.308 -0.982 0 CA-C-N 115.721 -0.672 . . . . 53.52 112.359 177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -80.64 167.1 20.44 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.524 -0.547 . . . . 73.14 109.524 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -91.03 23.66 3.13 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 121.169 0.509 . . . . 43.32 110.993 -177.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.64 125.86 39.74 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.487 0 N-CA-C 108.572 -0.899 . . . . 73.42 108.572 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.1 t -77.46 151.96 34.44 Favored 'General case' 0 N--CA 1.417 -2.123 0 CA-C-O 121.421 0.629 . . . . 62.42 109.939 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 p -73.38 -19.16 61.06 Favored 'General case' 0 N--CA 1.42 -1.925 0 CA-C-N 114.934 -1.03 . . . . 64.31 110.272 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -143.26 88.71 2.04 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 108.844 -0.798 . . . . 72.01 108.844 178.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 179.86 -137.75 3.17 Favored Glycine 0 N--CA 1.435 -1.42 0 N-CA-C 110.722 -0.951 . . . . 64.0 110.722 -178.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.8 tpt180 -98.96 137.52 37.38 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 109.996 -0.372 . . . . 61.22 109.996 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 48.7 mt -102.15 119.86 55.31 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 109.405 -0.591 . . . . 74.31 109.405 179.247 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_exo -59.49 127.52 24.08 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.803 2.336 . . . . 74.41 112.073 174.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.34 -32.63 71.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.498 -0.774 . . . . 74.12 110.239 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -61.72 -40.61 95.67 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.096 -0.956 . . . . 71.43 110.71 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 6.0 t -71.82 -35.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.219 0 CA-C-N 115.111 -0.95 . . . . 75.51 110.113 179.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.21 -43.89 99.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.025 -0.534 . . . . 74.44 109.681 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -61.0 -45.22 95.7 Favored 'General case' 0 CA--C 1.504 -0.797 0 CA-C-N 115.774 -0.648 . . . . 52.31 110.031 177.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.91 87.06 Favored 'General case' 0 N--CA 1.442 -0.828 0 CA-C-N 114.954 -1.021 . . . . 60.53 110.498 178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.465 ' CD1' HG12 ' A' ' 83' ' ' ILE . 76.8 t80 -61.16 -45.71 93.53 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 122.992 0.517 . . . . 75.34 110.839 178.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 -69.74 -23.19 63.35 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 113.014 0.746 . . . . 74.2 113.014 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.97 -28.47 24.23 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 109.956 -0.387 . . . . 73.22 109.956 176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.93 157.35 24.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.646 0.736 . . . . 72.14 111.256 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 C--N 1.288 -2.072 0 N-CA-C 108.741 -0.837 . . . . 64.12 108.741 179.905 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 16.3 tpt . . . . . 0 CA--C 1.511 -0.553 0 N-CA-C 109.309 -0.626 . . . . 53.32 109.309 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.6 t -153.38 172.51 16.96 Favored 'General case' 0 N--CA 1.42 -1.946 0 N-CA-C 105.631 -1.988 . . . . 73.41 105.631 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.6 52.02 2.75 Favored Glycine 0 N--CA 1.427 -1.951 0 C-N-CA 120.41 -0.9 . . . . 62.05 112.537 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.1 m -104.59 90.85 3.64 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 108.477 -0.935 . . . . 62.24 108.477 174.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.11 135.72 8.75 Favored Glycine 0 N--CA 1.439 -1.123 0 N-CA-C 111.051 -0.82 . . . . 62.33 111.051 -176.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -102.68 154.34 19.25 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 121.124 0.488 . . . . 75.22 111.178 178.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -157.11 175.79 34.49 Favored Glycine 0 C--N 1.299 -1.515 0 N-CA-C 108.42 -1.872 . . . . 73.2 108.42 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -85.86 93.3 8.88 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 118.394 1.097 . . . . 74.3 110.527 -177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 140.77 -23.27 2.64 Favored Glycine 0 N--CA 1.428 -1.84 0 N-CA-C 107.883 -2.087 . . . . 62.32 107.883 -174.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -95.39 79.25 3.45 Favored 'General case' 0 N--CA 1.425 -1.724 0 N-CA-C 107.2 -1.407 . . . . 61.31 107.2 175.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.3 mt -84.16 148.1 5.21 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.312 0 CA-C-N 113.435 -1.711 . . . . 72.14 108.097 -174.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -75.49 94.49 3.14 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.964 0.888 . . . . 70.41 112.607 -175.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 67.6 ttt180 -80.37 -53.0 7.02 Favored 'General case' 0 C--N 1.312 -1.035 0 N-CA-C 106.346 -1.724 . . . . 63.41 106.346 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -110.58 119.79 40.29 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 105.87 -1.9 . . . . 72.23 105.87 176.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.5 ' O ' HG13 ' A' ' 83' ' ' ILE . 45.5 mt-30 -85.03 83.45 8.05 Favored 'General case' 0 C--N 1.305 -1.336 0 N-CA-C 113.554 0.946 . . . . 71.54 113.554 -173.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 m -61.61 -35.12 76.95 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.005 -0.998 . . . . 44.13 111.108 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.439 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . -65.11 -45.93 83.14 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 116.052 -0.522 . . . . 73.35 110.811 -179.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.5 -35.89 81.95 Favored 'General case' 0 C--O 1.215 -0.734 0 CA-C-N 115.304 -0.862 . . . . 73.31 110.866 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 79' ' ' GLN . 77.9 mt -61.66 -44.19 98.31 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.474 0 CA-C-N 116.299 -0.41 . . . . 65.43 109.991 178.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 81' ' ' ALA . 24.8 mtp-105 -62.28 -45.7 92.09 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 115.928 -0.578 . . . . 75.1 110.34 177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -65.42 -43.55 90.17 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.392 -0.822 . . . . 72.45 111.826 -178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 47.4 t90 -61.66 -44.54 96.77 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 122.951 0.501 . . . . 73.42 109.988 174.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.75 -53.09 62.05 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.554 -0.748 . . . . 43.24 111.406 -178.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 mtp180 -68.5 -30.88 69.8 Favored 'General case' 0 C--N 1.304 -1.388 0 CA-C-N 116.008 -0.542 . . . . 75.55 111.341 -178.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -64.38 -44.18 92.17 Favored 'General case' 0 C--O 1.224 -0.242 0 N-CA-C 109.392 -0.595 . . . . 72.22 109.392 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -63.89 -55.49 22.29 Favored 'General case' 0 CA--C 1.493 -1.213 0 CA-C-N 115.991 -0.55 . . . . 75.23 110.508 176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 141.92 28.79 0.16 Allowed Glycine 0 N--CA 1.427 -1.922 0 CA-C-N 115.15 -0.932 . . . . 40.24 111.873 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -99.0 138.78 35.61 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 105.913 -1.884 . . . . 74.22 105.913 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -90.13 87.25 6.79 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.181 0.515 . . . . 63.22 110.345 -176.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.3 t -106.51 132.81 52.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 N-CA-C 109.206 -0.665 . . . . 21.42 109.206 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 48.1 t -66.71 161.27 23.86 Favored 'General case' 0 C--N 1.308 -1.205 0 C-N-CA 123.141 0.577 . . . . 65.25 110.807 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.9 p -65.01 -45.55 85.05 Favored 'General case' 0 N--CA 1.433 -1.297 0 N-CA-C 109.403 -0.591 . . . . 74.24 109.403 178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -135.92 155.23 50.6 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-N 115.393 -0.822 . . . . 75.04 109.566 173.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 146.11 -130.88 3.87 Favored Glycine 0 N--CA 1.43 -1.737 0 N-CA-C 109.387 -1.485 . . . . 50.33 109.387 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -109.55 137.81 46.84 Favored 'General case' 0 C--N 1.297 -1.716 0 N-CA-C 108.347 -0.982 . . . . 71.01 108.347 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 70.2 mt -100.85 118.93 59.65 Favored Pre-proline 0 C--N 1.291 -1.974 0 N-CA-C 107.777 -1.194 . . . . 62.04 107.777 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -57.05 122.88 12.6 Favored 'Trans proline' 0 N--CA 1.456 -0.719 0 C-N-CA 122.286 1.99 . . . . 63.44 112.003 179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.84 -30.74 70.29 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.301 -0.863 . . . . 71.22 109.453 177.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -64.5 -38.18 90.11 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.883 -1.053 . . . . 74.21 110.659 176.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.76 -36.67 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.188 0.518 . . . . 60.03 109.754 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.4 -45.88 97.72 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.007 0 CA-C-N 115.556 -0.747 . . . . 73.24 109.963 176.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -64.38 -39.56 94.1 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.384 -0.599 . . . . 51.33 109.384 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.69 -43.58 93.98 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.729 -0.668 . . . . 72.24 110.22 177.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.418 ' CD1' HG12 ' A' ' 83' ' ' ILE . 85.0 t80 -60.63 -47.54 85.76 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 123.888 0.875 . . . . 64.31 110.402 177.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -74.55 -17.18 60.77 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.215 -0.902 . . . . 74.0 112.759 -178.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -93.27 -37.01 12.28 Favored 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 111.883 0.327 . . . . 73.12 111.883 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.54 141.32 50.1 Favored 'General case' 0 CA--C 1.505 -0.773 0 CA-C-O 120.969 0.414 . . . . 72.12 111.407 -177.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 31.7 t70 . . . . . 0 C--N 1.294 -1.839 0 N-CA-C 108.309 -0.997 . . . . 64.15 108.309 177.435 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.509 -0.613 0 N-CA-C 107.117 -1.438 . . . . 74.33 107.117 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.6 m -72.64 89.68 1.33 Allowed 'General case' 0 N--CA 1.438 -1.068 0 CA-C-O 121.726 0.774 . . . . 72.31 111.509 -176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.86 79.96 1.0 Allowed Glycine 0 N--CA 1.419 -2.477 0 N-CA-C 109.835 -1.306 . . . . 61.23 109.835 177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.2 m -69.28 111.65 5.33 Favored 'General case' 0 N--CA 1.428 -1.564 0 N-CA-C 108.906 -0.776 . . . . 62.25 108.906 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -147.4 160.3 28.25 Favored Glycine 0 N--CA 1.422 -2.278 0 N-CA-C 109.852 -1.299 . . . . 71.41 109.852 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . 0.2 OUTLIER -119.23 143.41 47.3 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 108.363 -0.977 . . . . 74.25 108.363 -178.547 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -127.51 81.13 0.35 Allowed Glycine 0 N--CA 1.437 -1.275 0 N-CA-C 110.887 -0.885 . . . . 72.13 110.887 178.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.7 mtp180 -85.48 91.7 8.3 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 112.934 0.716 . . . . 74.24 112.934 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.76 -15.38 37.11 Favored Glycine 0 N--CA 1.449 -0.437 0 N-CA-C 108.935 -1.666 . . . . 71.43 108.935 172.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -123.91 158.52 31.78 Favored 'General case' 0 N--CA 1.419 -1.976 0 N-CA-C 106.419 -1.697 . . . . 62.04 106.419 176.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 53.2 mt -92.57 129.91 42.45 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.996 0 N-CA-C 109.6 -0.518 . . . . 71.13 109.6 -176.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -85.76 110.85 19.63 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-N 115.949 -0.569 . . . . 62.03 110.553 -179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -147.71 141.89 26.12 Favored 'General case' 0 CA--C 1.473 -2.014 0 N-CA-C 107.259 -1.385 . . . . 73.4 107.259 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 61.68 99.43 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.428 0 O-C-N 124.954 1.409 . . . . 74.15 111.309 172.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.588 ' O ' HG13 ' A' ' 83' ' ' ILE . 81.7 mt-30 -114.1 74.69 0.88 Allowed 'General case' 0 C--N 1.299 -1.615 0 C-N-CA 119.627 -0.829 . . . . 63.32 111.479 -178.049 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.513 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 60.5 m -60.64 -38.41 84.72 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 112.517 0.562 . . . . 74.2 112.517 -178.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -67.84 -43.98 78.26 Favored 'General case' 0 CA--C 1.507 -0.681 0 C-N-CA 120.797 -0.361 . . . . 73.52 110.095 179.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.14 -33.99 74.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.525 -0.307 . . . . 73.42 111.447 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 79' ' ' GLN . 75.0 mt -62.55 -46.72 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.471 -0.566 . . . . 64.34 109.471 175.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 80' ' ' SER . 51.6 mtt180 -61.35 -42.19 98.28 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.776 -0.647 . . . . 72.01 109.676 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 3.9 mm-40 -69.68 -38.03 76.88 Favored 'General case' 0 C--O 1.202 -1.399 0 CA-C-N 115.655 -0.702 . . . . 62.41 111.142 -177.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.466 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 73.8 t90 -64.74 -42.25 95.34 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 121.748 0.785 . . . . 72.32 109.083 174.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.57 91.33 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 115.274 -0.875 . . . . 64.54 110.556 178.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.43 HH21 ' CD ' ' A' ' 85' ' ' GLU . 74.1 mtm180 -75.07 -32.12 61.41 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-O 120.768 0.318 . . . . 75.35 110.907 176.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 61.1 ttt180 -57.04 -43.32 81.86 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.187 1.395 . . . . 71.12 108.948 176.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -80.23 -57.51 3.58 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 114.85 -1.068 . . . . 74.32 110.44 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.97 48.78 0.32 Allowed Glycine 0 N--CA 1.435 -1.377 0 N-CA-C 110.473 -1.051 . . . . 75.14 110.473 -177.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -94.21 166.56 12.05 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 108.553 -0.906 . . . . 73.33 108.553 179.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -77.78 90.53 4.05 Favored 'General case' 0 C--N 1.312 -1.039 0 CA-C-O 121.132 0.492 . . . . 51.22 110.039 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 22.3 t -86.45 -54.49 8.16 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 CA-C-N 115.806 -0.634 . . . . 53.1 110.061 -178.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.8 m 61.82 72.38 0.51 Allowed 'General case' 0 N--CA 1.444 -0.772 0 O-C-N 124.175 0.922 . . . . 41.31 109.055 -173.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.4 p -57.35 97.96 0.03 OUTLIER 'General case' 0 C--O 1.247 0.938 0 CA-C-N 113.901 -1.499 . . . . 70.11 113.925 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 70.4 mtm-85 -148.05 -79.77 0.14 Allowed 'General case' 0 C--N 1.312 -1.055 0 C-N-CA 124.823 1.249 . . . . 65.21 108.093 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -161.22 35.21 0.4 Allowed Glycine 0 N--CA 1.435 -1.391 0 C-N-CA 120.822 -0.704 . . . . 35.22 111.452 177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.64 152.67 41.64 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 122.137 0.175 . . . . 74.25 110.619 -178.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -144.31 132.08 10.65 Favored Pre-proline 0 C--N 1.308 -1.217 0 N-CA-C 107.474 -1.306 . . . . 65.42 107.474 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.95 129.64 35.62 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 121.981 1.787 . . . . 74.3 110.812 173.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.82 -32.77 72.13 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.855 -0.611 . . . . 72.42 109.726 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.76 -37.58 88.08 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-N 115.041 -0.981 . . . . 51.42 110.029 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -68.78 -42.73 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.992 -0.549 . . . . 74.34 110.327 177.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.6 mt -59.33 -49.89 81.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.072 -0.513 . . . . 63.23 110.349 178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -66.78 -37.31 84.33 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 116.035 -0.53 . . . . 65.42 110.778 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.14 -43.59 98.49 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.738 -0.664 . . . . 72.54 109.887 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.464 ' CD2' HG12 ' A' ' 83' ' ' ILE . 61.2 t80 -59.32 -45.21 91.97 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 123.632 0.773 . . . . 70.11 110.694 177.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 25.7 m-70 -70.06 -24.23 63.21 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.983 -0.553 . . . . 74.33 112.264 179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -87.23 -21.59 25.75 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.096 0.474 . . . . 44.14 110.708 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -88.7 157.33 18.57 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.542 0.687 . . . . 74.0 112.557 -178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--N 1.301 -1.509 0 N-CA-C 106.694 -1.595 . . . . 73.15 106.694 174.192 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 55.9 mtt . . . . . 0 N--CA 1.474 0.728 0 N-CA-C 108.71 -0.848 . . . . 54.34 108.71 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.1 p -129.24 -43.54 1.3 Allowed 'General case' 0 C--N 1.305 -1.347 0 CA-C-O 121.258 0.551 . . . . 74.32 110.067 177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.22 -155.84 46.28 Favored Glycine 0 N--CA 1.425 -2.098 0 CA-C-N 115.173 -0.921 . . . . 44.14 110.816 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.7 p -119.75 144.72 47.12 Favored 'General case' 0 C--N 1.281 -2.399 0 N-CA-C 108.893 -0.781 . . . . 60.14 108.893 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -77.23 -42.65 18.43 Favored Glycine 0 N--CA 1.436 -1.365 0 N-CA-C 107.524 -2.23 . . . . 74.54 107.524 175.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.3 ttm180 56.67 93.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 125.603 1.561 . . . . 73.33 113.355 172.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 141.89 -82.89 0.22 Allowed Glycine 0 N--CA 1.428 -1.899 0 N-CA-C 109.227 -1.549 . . . . 44.33 109.227 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 79.2 mtp180 -77.88 -34.56 51.51 Favored 'General case' 0 C--N 1.31 -1.133 0 N-CA-C 109.077 -0.712 . . . . 75.04 109.077 178.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 144.99 -142.29 10.7 Favored Glycine 0 N--CA 1.425 -2.062 0 N-CA-C 108.315 -1.914 . . . . 62.34 108.315 -178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -142.42 144.03 32.91 Favored 'General case' 0 C--N 1.299 -1.62 0 N-CA-C 108.984 -0.747 . . . . 75.01 108.984 177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.5 mt -85.41 116.03 28.03 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.517 0 N-CA-C 107.298 -1.371 . . . . 41.31 107.298 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.486 ' CG ' ' H ' ' A' ' 77' ' ' ARG . 14.4 t70 -112.41 -166.84 1.11 Allowed 'General case' 0 C--N 1.28 -2.446 0 CA-C-N 116.211 -0.45 . . . . 75.11 110.257 -174.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.486 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 37.5 mtt180 -95.58 -170.72 2.21 Favored 'General case' 0 C--N 1.303 -1.438 0 C-N-CA 123.926 0.89 . . . . 63.51 111.463 -173.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -111.53 132.94 54.16 Favored 'General case' 0 N--CA 1.398 -3.046 0 CA-C-N 114.068 -1.424 . . . . 71.13 107.792 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.3 mm-40 -88.8 56.22 3.66 Favored 'General case' 0 C--N 1.305 -1.331 0 CA-C-O 121.905 0.859 . . . . 73.21 110.109 179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.4 m -51.34 -45.04 62.2 Favored 'General case' 0 C--N 1.307 -1.27 0 C-N-CA 126.083 1.753 . . . . 60.12 112.404 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.489 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -56.83 -46.6 81.57 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 122.783 0.433 . . . . 72.02 111.148 178.595 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.44 -33.76 76.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.958 -0.565 . . . . 43.22 110.64 -178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -63.75 -39.91 87.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.848 -0.615 . . . . 61.24 109.569 177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.13 -38.37 78.8 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-O 120.913 0.387 . . . . 74.41 109.959 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.489 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 30.6 mm-40 -64.05 -44.2 93.19 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.914 -0.585 . . . . 64.1 110.019 179.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -61.78 -43.37 98.99 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 123.585 0.754 . . . . 62.2 110.152 176.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.14 -47.43 85.31 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 116.073 -0.512 . . . . 73.35 110.574 179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -70.54 -31.34 68.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.202 -0.454 . . . . 74.51 110.95 178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -62.09 -39.56 92.88 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.898 -0.778 . . . . 73.31 108.898 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 34.8 m-80 -76.03 -55.4 5.63 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 115.88 -0.6 . . . . 65.53 110.629 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 133.79 26.95 0.56 Allowed Glycine 0 C--N 1.299 -1.488 0 C-N-CA 120.648 -0.787 . . . . 71.24 111.92 -179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -89.93 141.5 28.6 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 105.584 -2.006 . . . . 74.51 105.584 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -82.87 59.46 4.85 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 122.077 0.941 . . . . 65.2 112.206 -174.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 57.7 t -95.42 116.73 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.444 0 N-CA-C 106.427 -1.694 . . . . 62.15 106.427 175.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 22.3 t -100.54 177.4 5.03 Favored 'General case' 0 C--N 1.287 -2.147 0 CA-C-O 121.17 0.509 . . . . 62.52 110.881 -174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.2 p -74.07 -44.35 54.4 Favored 'General case' 0 N--CA 1.425 -1.689 0 C-N-CA 124.146 0.978 . . . . 63.22 108.893 177.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -92.65 94.67 9.14 Favored 'General case' 0 N--CA 1.435 -1.219 0 N-CA-C 107.929 -1.138 . . . . 74.44 107.929 177.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 157.5 174.96 27.88 Favored Glycine 0 N--CA 1.425 -2.078 0 C-N-CA 120.775 -0.726 . . . . 44.54 111.323 -178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.462 ' HG2' ' N ' ' A' ' 100' ' ' ILE . 8.7 ttm180 -85.81 151.13 24.06 Favored 'General case' 0 C--N 1.302 -1.482 0 C-N-CA 123.456 0.702 . . . . 61.43 109.802 -179.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.462 ' N ' ' HG2' ' A' ' 99' ' ' ARG . 68.7 mt -87.61 118.03 69.28 Favored Pre-proline 0 C--N 1.304 -1.381 0 N-CA-C 107.343 -1.354 . . . . 75.42 107.343 170.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -59.23 129.48 31.73 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.106 1.871 . . . . 73.33 111.904 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.17 -33.15 68.91 Favored 'General case' 0 C--N 1.317 -0.808 0 C-N-CA 123.502 0.721 . . . . 34.12 109.777 176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.97 -40.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.361 -0.836 . . . . 62.31 109.47 175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.55 -40.67 82.27 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.579 0 CA-C-N 115.51 -0.768 . . . . 53.53 110.501 177.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.412 ' O ' ' HD2' ' A' ' 109' ' ' HIS . 71.3 mt -60.79 -48.21 89.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 120.914 0.387 . . . . 73.01 110.241 178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -66.08 -38.48 88.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 116.213 -0.449 . . . . 72.41 110.338 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.92 -43.44 98.8 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.015 -0.538 . . . . 23.05 109.897 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.5 t80 -57.59 -48.04 80.48 Favored 'General case' 0 C--N 1.323 -0.556 0 C-N-CA 123.762 0.825 . . . . 73.14 110.729 176.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.412 ' HD2' ' O ' ' A' ' 105' ' ' ILE . 70.0 m-70 -71.56 -26.16 62.51 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 112.808 0.669 . . . . 72.33 112.808 -178.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -90.78 -29.04 17.84 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 112.899 0.703 . . . . 55.2 112.899 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -86.91 135.94 33.13 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 121.083 0.468 . . . . 63.53 111.446 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 C--N 1.31 -1.151 0 CA-C-N 115.918 -0.583 . . . . 60.41 109.802 179.259 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.51 -0.576 0 N-CA-C 108.18 -1.044 . . . . 43.44 108.18 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.8 m -76.57 138.72 40.35 Favored 'General case' 0 C--N 1.302 -1.5 0 N-CA-C 110.012 -0.366 . . . . 71.32 110.012 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -138.2 34.63 2.11 Favored Glycine 0 N--CA 1.436 -1.34 0 C-N-CA 121.039 -0.601 . . . . 74.31 111.604 -178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 69.9 m -137.16 98.85 3.84 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 109.654 -0.499 . . . . 74.3 109.654 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -82.39 80.35 1.79 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 121.203 -0.523 . . . . 53.53 113.686 -176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -152.6 105.36 2.98 Favored 'General case' 0 C--N 1.311 -1.077 0 N-CA-C 109.491 -0.559 . . . . 63.12 109.491 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -123.81 7.04 8.9 Favored Glycine 0 C--N 1.312 -0.753 0 N-CA-C 111.409 -0.676 . . . . 61.04 111.409 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.2 mtp180 -122.42 -172.8 2.54 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 109.446 -0.576 . . . . 74.22 109.446 179.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 93.49 50.01 2.45 Favored Glycine 0 N--CA 1.426 -2.008 0 N-CA-C 108.407 -1.877 . . . . 75.54 108.407 -176.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -114.47 155.34 26.58 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 108.921 -0.77 . . . . 53.23 108.921 -173.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.0 mm -101.9 158.84 4.32 Favored 'Isoleucine or valine' 0 C--N 1.278 -2.529 0 N-CA-C 109.01 -0.737 . . . . 50.33 109.01 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -76.89 131.72 38.73 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-O 121.054 0.454 . . . . 73.22 110.24 177.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 179.79 -57.92 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.328 0 N-CA-C 105.588 -2.005 . . . . 74.35 105.588 178.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -133.3 110.64 10.21 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 114.231 -1.349 . . . . 71.43 108.232 175.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.401 ' O ' HG13 ' A' ' 83' ' ' ILE . 49.3 mt-30 -112.15 77.82 1.07 Allowed 'General case' 0 C--N 1.291 -1.975 0 CA-C-O 122.119 0.962 . . . . 72.44 109.961 173.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.6 p -68.65 -33.89 74.78 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 113.815 -1.538 . . . . 54.1 111.6 -175.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.582 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -64.99 -42.67 94.31 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 109.62 -0.511 . . . . 74.11 109.62 178.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.43 -42.91 97.05 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 121.181 0.515 . . . . 73.51 110.74 179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 79' ' ' GLN . 65.2 mt -63.71 -40.72 90.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.51 -0.768 . . . . 63.22 109.75 178.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -68.34 -35.62 78.04 Favored 'General case' 0 C--O 1.223 -0.342 0 CA-C-N 116.446 -0.343 . . . . 74.13 111.327 178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.582 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 8.9 mm-40 -62.84 -45.98 90.06 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 121.064 0.459 . . . . 64.32 110.288 177.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 83.7 t90 -64.64 -41.15 96.35 Favored 'General case' 0 C--O 1.258 1.501 0 CA-C-O 121.586 0.708 . . . . 74.12 109.686 177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.15 -45.68 93.66 Favored 'General case' 0 N--CA 1.444 -0.765 0 CA-C-N 115.163 -0.926 . . . . 73.42 110.605 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 49.4 mtm180 -68.58 -31.42 70.6 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 111.699 0.259 . . . . 71.24 111.699 179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -61.07 -45.51 94.43 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 109.383 -0.599 . . . . 74.02 109.383 175.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -73.09 -35.36 66.6 Favored 'General case' 0 CA--C 1.506 -0.736 0 CA-C-N 115.382 -0.826 . . . . 75.54 111.176 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 102.03 31.08 5.49 Favored Glycine 0 N--CA 1.425 -2.079 0 C-N-CA 120.968 -0.634 . . . . 73.15 111.63 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 32.1 m-70 -82.42 149.83 27.43 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.321 -1.362 . . . . 72.33 107.321 177.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -78.43 72.82 4.98 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 112.164 0.431 . . . . 73.13 112.164 -177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 10.6 t -134.44 10.74 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.113 0 N-CA-C 106.829 -1.545 . . . . 64.01 106.829 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.5 m -60.86 -72.31 0.12 Allowed 'General case' 0 N--CA 1.436 -1.163 0 CA-C-N 114.07 -1.423 . . . . 74.32 112.952 -174.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 4.7 p -96.69 -2.87 43.65 Favored 'General case' 0 C--N 1.308 -1.235 0 O-C-N 121.733 -0.605 . . . . 73.21 112.182 -177.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -110.9 115.13 28.99 Favored 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 108.587 -0.894 . . . . 73.12 108.587 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -79.05 1.61 73.93 Favored Glycine 0 C--O 1.24 0.522 0 N-CA-C 116.198 1.239 . . . . 72.31 116.198 -170.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.443 ' HD3' ' C ' ' A' ' 99' ' ' ARG . 1.9 tmt_? -87.48 110.4 20.28 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 107.558 -1.275 . . . . 74.4 107.558 176.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 53.7 mt -87.34 126.12 63.47 Favored Pre-proline 0 C--N 1.3 -1.576 0 N-CA-C 109.99 -0.374 . . . . 74.12 109.99 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -58.76 132.53 48.43 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.508 2.139 . . . . 64.32 111.07 172.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.42 -31.69 71.63 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.688 -0.856 . . . . 52.04 108.688 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.05 -43.22 91.67 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 114.405 -1.271 . . . . 72.35 109.581 175.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.59 -40.35 81.73 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.858 -0.61 . . . . 73.34 110.157 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.26 -44.61 98.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 116.044 -0.525 . . . . 63.52 110.262 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.27 -40.83 96.77 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.123 -0.489 . . . . 75.34 110.055 178.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.53 -41.02 98.49 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.898 -0.592 . . . . 74.24 110.453 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.19 -42.49 99.33 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 124.056 0.942 . . . . 72.23 110.938 177.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -75.32 -27.08 59.12 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 115.87 -0.605 . . . . 74.22 112.32 179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.54 -36.75 28.75 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 116.472 -0.331 . . . . 73.42 111.384 178.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -76.48 109.65 10.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.404 0.621 . . . . 62.5 110.977 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 C--N 1.3 -1.562 0 CA-C-N 115.895 -0.593 . . . . 75.5 110.107 -179.247 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.699 0 N-CA-C 109.317 -0.623 . . . . 54.01 109.317 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.1 m -121.5 147.93 45.13 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 110.145 -0.317 . . . . 63.12 110.145 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -110.45 -162.28 18.44 Favored Glycine 0 N--CA 1.434 -1.499 0 N-CA-C 111.189 -0.764 . . . . 60.34 111.189 178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.9 p -119.38 171.38 8.37 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 109.847 -0.427 . . . . 62.13 109.847 -179.057 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -133.33 125.07 3.9 Favored Glycine 0 N--CA 1.432 -1.567 0 N-CA-C 110.605 -0.998 . . . . 44.13 110.605 177.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -130.89 157.33 43.21 Favored 'General case' 0 C--N 1.305 -1.365 0 N-CA-C 109.094 -0.706 . . . . 61.3 109.094 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 151.45 -29.88 0.95 Allowed Glycine 0 CA--C 1.496 -1.125 0 C-N-CA 120.013 -1.089 . . . . 65.24 112.619 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.473 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 99.1 mtt180 63.66 -86.56 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 124.697 1.199 . . . . 71.51 111.644 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 103.67 111.58 3.59 Favored Glycine 0 N--CA 1.42 -2.392 0 C-N-CA 120.603 -0.808 . . . . 73.05 111.506 -178.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.62 109.22 21.88 Favored 'General case' 0 N--CA 1.414 -2.262 0 N-CA-C 105.64 -1.985 . . . . 72.11 105.64 177.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.472 HG22 ' HD3' ' A' ' 77' ' ' ARG . 40.3 mt -115.25 107.51 22.96 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.571 0 N-CA-C 108.686 -0.857 . . . . 74.24 108.686 -174.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.549 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 24.7 t70 -94.72 101.78 13.63 Favored 'General case' 0 C--N 1.277 -2.563 0 CA-C-O 121.83 0.824 . . . . 54.22 111.336 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.549 ' HD2' ' O ' ' A' ' 76' ' ' ASP . 2.1 mpt_? -123.98 159.89 28.79 Favored 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 107.263 -1.384 . . . . 75.44 107.263 174.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.1 -48.79 74.77 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 107.277 -1.379 . . . . 60.41 107.277 -177.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 88.6 mm-40 -115.37 93.68 4.39 Favored 'General case' 0 N--CA 1.42 -1.932 0 CA-C-N 115.085 -0.961 . . . . 73.24 110.302 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 56.3 p -114.0 -34.09 5.52 Favored 'General case' 0 C--N 1.307 -1.267 0 CA-C-O 121.205 0.526 . . . . 51.3 110.316 178.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.88 -35.18 72.23 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.825 -0.806 . . . . 61.24 108.825 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.05 -30.54 71.68 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.537 -0.756 . . . . 63.34 110.759 176.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.419 HG12 ' CD2' ' A' ' 108' ' ' TYR . 60.4 mt -69.95 -43.76 79.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.754 -0.832 . . . . 73.25 108.754 177.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.59 -39.61 80.85 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.822 -0.627 . . . . 73.02 110.362 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 22.9 mm-40 -60.61 -58.39 8.67 Favored 'General case' 0 CA--C 1.506 -0.723 0 CA-C-N 115.439 -0.8 . . . . 65.23 110.059 177.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -53.94 -41.45 67.75 Favored 'General case' 0 C--O 1.246 0.89 0 C-N-CA 123.977 0.911 . . . . 72.54 110.916 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.75 -50.01 75.18 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 115.409 -0.814 . . . . 62.32 110.585 178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.484 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -71.02 -24.81 62.44 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 111.601 0.223 . . . . 72.1 111.601 179.634 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.558 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 83.1 mtt180 -67.52 -43.12 81.6 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.648 -0.501 . . . . 75.21 109.648 175.045 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.9 m-80 -74.97 -46.24 36.7 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.866 -0.606 . . . . 60.22 110.968 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 121.49 34.38 0.87 Allowed Glycine 0 N--CA 1.432 -1.596 0 CA-C-N 115.692 -0.686 . . . . 52.24 111.912 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -98.63 142.77 29.78 Favored 'General case' 0 C--N 1.313 -0.989 0 N-CA-C 106.641 -1.615 . . . . 71.32 106.641 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.7 m-80 -93.17 114.35 26.82 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 112.799 0.666 . . . . 74.4 112.799 -177.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 46.8 t -89.82 144.37 9.25 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 N-CA-C 106.746 -1.575 . . . . 72.04 106.746 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 99' ' ' ARG . 7.7 m -68.57 111.02 4.5 Favored 'General case' 0 N--CA 1.433 -1.283 0 N-CA-C 110.523 -0.177 . . . . 64.43 110.523 -178.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.8 p -68.8 -22.63 64.25 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.554 0.692 . . . . 72.21 110.782 -179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -71.19 -14.56 62.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.974 -1.012 . . . . 74.15 110.185 176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.473 ' O ' ' HA ' ' A' ' 72' ' ' ARG . . . 110.93 96.5 2.36 Favored Glycine 0 N--CA 1.43 -1.765 0 CA-C-N 115.878 -0.601 . . . . 74.4 111.611 -179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.404 ' HB3' ' HB2' ' A' ' 95' ' ' SER . 9.5 ttp180 173.48 127.15 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.007 1.323 . . . . 73.43 108.018 174.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.9 mt -103.73 116.59 61.56 Favored Pre-proline 0 C--N 1.3 -1.578 0 N-CA-C 107.186 -1.412 . . . . 62.44 107.186 175.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -58.81 123.29 13.2 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 121.822 1.681 . . . . 70.33 111.773 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.79 -31.57 72.8 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.357 -0.838 . . . . 75.13 109.527 178.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.57 -41.83 91.07 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-N 115.185 -0.916 . . . . 73.41 109.428 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 24.9 t -68.28 -40.32 82.4 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.562 0 CA-C-N 115.655 -0.702 . . . . 63.43 110.437 177.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 73.8 mt -60.36 -47.33 92.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.266 -0.425 . . . . 70.22 110.597 178.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -64.56 -43.7 93.07 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.304 -0.407 . . . . 64.54 110.134 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.1 -41.89 89.2 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 123.516 0.51 . . . . 41.01 110.624 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.419 ' CD2' HG12 ' A' ' 83' ' ' ILE . 86.6 t80 -61.52 -42.14 98.36 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 123.343 0.657 . . . . 61.44 111.028 177.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 56.4 m-70 -76.19 -27.77 57.02 Favored 'General case' 0 C--N 1.314 -0.946 0 N-CA-C 112.472 0.545 . . . . 63.4 112.472 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -83.72 -36.75 23.46 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 111.985 0.365 . . . . 44.44 111.985 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -87.05 141.58 28.56 Favored 'General case' 0 C--N 1.307 -1.255 0 CA-C-O 121.204 0.526 . . . . 53.35 111.04 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 C--N 1.292 -1.919 0 N-CA-C 108.026 -1.101 . . . . 72.3 108.026 178.68 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 59.2 mtt . . . . . 0 CA--C 1.516 -0.357 0 N-CA-C 108.665 -0.865 . . . . 74.11 108.665 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.5 m 70.54 96.9 0.07 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.533 1.133 . . . . 44.11 112.122 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -99.83 -111.02 3.22 Favored Glycine 0 N--CA 1.435 -1.376 0 N-CA-C 111.141 -0.784 . . . . 74.33 111.141 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 19.2 m -90.3 109.63 20.72 Favored 'General case' 0 C--N 1.293 -1.883 0 N-CA-C 109.271 -0.64 . . . . 74.0 109.271 178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -174.38 46.47 0.14 Allowed Glycine 0 C--N 1.314 -0.646 0 C-N-CA 120.363 -0.922 . . . . 42.4 112.479 -177.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 6.5 mpt_? -126.52 30.73 5.49 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.192 0.52 . . . . 71.14 109.742 178.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -87.05 88.34 1.58 Allowed Glycine 0 N--CA 1.429 -1.796 0 N-CA-C 109.188 -1.565 . . . . 54.42 109.188 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -108.06 -14.41 14.74 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.205 0.526 . . . . 73.22 111.301 -176.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.93 66.03 2.55 Favored Glycine 0 N--CA 1.438 -1.22 0 C-N-CA 120.507 -0.854 . . . . 75.43 113.956 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.93 30.03 4.27 Favored 'General case' 0 CA--C 1.497 -1.08 0 CA-C-O 122.332 1.063 . . . . 72.12 110.066 177.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.3 mm -74.56 157.09 6.2 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.862 0 CA-C-N 113.544 -1.662 . . . . 63.43 107.291 176.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -58.51 134.85 57.06 Favored 'General case' 0 C--O 1.247 0.925 0 N-CA-C 109.349 -0.611 . . . . 65.25 109.349 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -111.11 151.77 27.73 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 114.672 1.36 . . . . 72.13 114.672 -173.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.6 tp10 -50.3 -60.01 3.4 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 113.159 -1.837 . . . . 54.52 109.656 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -86.4 105.55 16.8 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 107.741 -1.207 . . . . 74.31 107.741 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -130.28 -29.94 1.98 Allowed 'General case' 0 C--N 1.296 -1.717 0 CA-C-N 116.449 -0.341 . . . . 74.32 111.316 177.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' A' ' 84' ' ' ARG . . . -69.86 -39.31 76.42 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.348 0.594 . . . . 60.32 109.454 177.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.89 -30.2 71.31 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.803 -1.09 . . . . 54.04 110.034 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.2 mt -68.26 -43.9 84.29 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 N-CA-C 109.427 -0.583 . . . . 72.1 109.427 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.441 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 42.7 mtp180 -58.47 -46.96 85.57 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.271 0.557 . . . . 71.2 110.375 178.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -67.1 -40.87 86.98 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.489 -0.778 . . . . 74.02 110.959 -178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.1 t90 -61.83 -42.71 99.37 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-O 121.783 0.801 . . . . 64.51 109.34 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.86 95.63 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.022 -0.99 . . . . 62.35 110.852 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.441 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 41.8 mtm105 -70.49 -33.13 70.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.337 0.589 . . . . 74.54 110.373 177.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 40.8 ttm180 -65.97 -34.47 78.18 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 122.171 0.986 . . . . 73.4 109.096 -176.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -94.48 -27.85 15.77 Favored 'General case' 0 C--N 1.291 -1.952 0 CA-C-N 114.331 -1.304 . . . . 65.13 112.538 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.2 48.23 4.4 Favored Glycine 0 N--CA 1.431 -1.659 0 C-N-CA 120.923 -0.656 . . . . 65.21 111.712 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -94.75 161.29 14.24 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 106.634 -1.617 . . . . 74.12 106.634 175.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -79.85 88.5 5.26 Favored 'General case' 0 C--N 1.313 -1.019 0 C-N-CA 120.087 -0.645 . . . . 74.43 111.505 -178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 97.8 t -132.48 128.62 58.28 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 N-CA-C 108.096 -1.076 . . . . 64.21 108.096 176.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 39.3 m -79.55 153.05 29.78 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-N 116.031 -0.531 . . . . 52.55 109.959 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.6 p -68.81 -30.29 68.83 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 111.791 0.293 . . . . 63.24 111.791 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 84.0 mtt180 -120.41 145.12 47.5 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.748 -1.204 . . . . 73.33 107.748 175.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 133.88 -143.88 15.68 Favored Glycine 0 N--CA 1.432 -1.601 0 C-N-CA 119.866 -1.159 . . . . 75.13 113.14 176.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -104.92 165.58 10.97 Favored 'General case' 0 C--N 1.303 -1.454 0 C-N-CA 123.963 0.905 . . . . 72.32 109.27 -177.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.8 mm -105.65 124.24 36.83 Favored Pre-proline 0 C--N 1.311 -1.078 0 N-CA-C 109.686 -0.487 . . . . 72.3 109.686 -178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.475 ' O ' HG13 ' A' ' 105' ' ' ILE . 32.4 Cg_exo -61.93 124.38 14.36 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.625 2.217 . . . . 75.33 112.189 174.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.2 -28.47 69.69 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 123.789 0.836 . . . . 54.1 110.29 179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -62.61 -46.28 89.02 Favored 'General case' 0 CA--C 1.493 -1.217 0 N-CA-C 108.545 -0.909 . . . . 61.34 108.545 174.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.7 t -65.97 -38.39 81.99 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.006 0 CA-C-N 114.624 -1.171 . . . . 70.3 110.501 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 101' ' ' PRO . 60.8 mt -62.52 -47.56 92.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.911 0 CA-C-N 116.254 -0.43 . . . . 73.24 111.719 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -70.2 -36.63 74.72 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 119.783 -0.767 . . . . 75.0 109.948 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.94 -42.44 99.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.111 -0.495 . . . . 73.33 109.89 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.6 t80 -59.29 -47.81 83.98 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 123.812 0.845 . . . . 75.4 110.797 177.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 -71.34 -28.0 63.77 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 113.119 0.785 . . . . 70.11 113.119 -178.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.86 -36.91 27.72 Favored 'General case' 0 C--N 1.314 -0.966 0 C-N-CA 120.734 -0.386 . . . . 72.24 111.456 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.88 108.29 19.75 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.183 0.516 . . . . 53.33 112.363 -176.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.4 t70 . . . . . 0 CA--C 1.487 -1.444 0 C-N-CA 125.138 1.375 . . . . 73.44 107.297 178.489 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 CA--C 1.519 -0.223 0 CA-C-O 121.208 0.528 . . . . 53.0 109.594 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.477 ' HB3' ' O ' ' A' ' 69' ' ' GLY . 15.4 m -102.51 153.74 19.78 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 116.334 -0.394 . . . . 74.22 110.272 -176.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -93.6 -128.68 5.06 Favored Glycine 0 N--CA 1.443 -0.836 0 N-CA-C 108.693 -1.763 . . . . 33.22 108.693 174.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 20.6 m -89.16 86.55 6.9 Favored 'General case' 0 C--N 1.296 -1.76 0 N-CA-C 107.565 -1.272 . . . . 41.34 107.565 174.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.477 ' O ' ' HB3' ' A' ' 66' ' ' SER . . . 112.94 -128.63 8.51 Favored Glycine 0 N--CA 1.428 -1.855 0 N-CA-C 108.213 -1.955 . . . . 63.33 108.213 -173.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -87.74 -28.87 21.47 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 117.797 0.798 . . . . 73.14 109.597 178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 156.18 -126.13 1.75 Allowed Glycine 0 N--CA 1.424 -2.1 0 N-CA-C 109.476 -1.45 . . . . 53.52 109.476 -177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.0 mtp180 -126.72 -41.86 1.81 Allowed 'General case' 0 C--N 1.298 -1.638 0 CA-C-N 117.555 0.678 . . . . 74.42 111.077 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 71.46 -120.27 8.23 Favored Glycine 0 N--CA 1.442 -0.956 0 C-N-CA 120.981 -0.628 . . . . 40.22 112.208 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -127.96 -178.2 4.42 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.082 -0.71 . . . . 64.44 109.082 -176.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.7 mm -117.13 141.45 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.185 0 N-CA-C 107.734 -1.21 . . . . 74.12 107.734 177.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -122.39 149.2 44.14 Favored 'General case' 0 C--N 1.291 -1.961 0 N-CA-C 109.743 -0.466 . . . . 74.1 109.743 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 74.08 -54.15 0.68 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.812 1.645 . . . . 72.13 111.43 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -94.27 110.15 21.92 Favored 'General case' 0 C--N 1.298 -1.633 0 N-CA-C 109.025 -0.732 . . . . 63.21 109.025 179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.507 ' O ' HG13 ' A' ' 83' ' ' ILE . 28.6 mm-40 -108.18 77.16 1.08 Allowed 'General case' 0 C--N 1.307 -1.247 0 CA-C-O 121.284 0.564 . . . . 73.33 110.103 176.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.4 m -60.94 -31.67 71.21 Favored 'General case' 0 C--N 1.306 -1.292 0 CA-C-N 114.869 -1.059 . . . . 61.4 112.346 -176.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.494 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -63.56 -51.62 64.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.833 -0.432 . . . . 71.21 109.833 179.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -39.65 94.92 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.405 -0.816 . . . . 72.42 110.644 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.3 mt -61.94 -43.98 98.27 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-N 115.953 -0.567 . . . . 74.11 109.857 177.564 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -59.42 -46.18 89.44 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-N 116.616 -0.265 . . . . 62.42 111.362 177.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.494 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 14.3 mm-40 -63.31 -41.58 98.96 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 116.52 -0.309 . . . . 73.54 111.403 -177.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.485 ' O ' ' HB3' ' A' ' 89' ' ' ARG . 78.4 t90 -66.66 -41.0 88.87 Favored 'General case' 0 C--O 1.251 1.169 0 CA-C-O 121.775 0.798 . . . . 54.12 110.21 176.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.56 -45.25 91.37 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-N 115.135 -0.938 . . . . 63.31 110.499 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -69.77 -31.84 70.0 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 116.287 -0.415 . . . . 71.21 110.7 178.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.485 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 29.9 ttt180 -56.88 -45.63 82.39 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 108.775 -0.824 . . . . 64.13 108.775 174.242 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 38.2 m-80 -71.97 -46.03 58.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.089 -0.959 . . . . 62.42 110.541 176.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 119.45 28.56 1.92 Allowed Glycine 0 N--CA 1.431 -1.692 0 CA-C-N 115.75 -0.659 . . . . 74.13 112.4 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -89.25 137.35 32.4 Favored 'General case' 0 C--N 1.309 -1.183 0 N-CA-C 106.84 -1.541 . . . . 54.41 106.84 178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -86.98 104.96 16.79 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-O 121.795 0.807 . . . . 71.44 109.836 177.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 80.4 t -111.5 139.24 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.481 0 CA-C-N 114.559 -1.201 . . . . 73.41 111.457 -174.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.1 m 75.72 12.6 3.0 Favored 'General case' 0 C--N 1.339 0.145 0 C-N-CA 124.945 1.298 . . . . 72.24 111.962 178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 27.2 p -89.16 88.79 7.68 Favored 'General case' 0 N--CA 1.415 -2.214 0 N-CA-C 107.493 -1.299 . . . . 53.04 107.493 173.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.13 81.14 0.21 Allowed 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.443 -0.799 . . . . 75.53 110.197 -170.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 153.18 -169.99 32.09 Favored Glycine 0 N--CA 1.437 -1.264 0 N-CA-C 110.32 -1.112 . . . . 64.42 110.32 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.431 ' CD ' HG12 ' A' ' 100' ' ' ILE . 0.0 OUTLIER -103.45 -84.65 0.47 Allowed 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.836 -1.542 . . . . 75.45 106.836 178.532 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.431 HG12 ' CD ' ' A' ' 99' ' ' ARG . 40.1 mm -148.38 120.02 4.4 Favored Pre-proline 0 C--N 1.285 -2.213 0 N-CA-C 105.584 -2.006 . . . . 64.12 105.584 176.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.441 ' O ' HG13 ' A' ' 105' ' ' ILE . 51.9 Cg_exo -54.49 123.42 13.6 Favored 'Trans proline' 0 CA--C 1.515 -0.439 0 C-N-CA 122.186 1.924 . . . . 64.35 111.883 178.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.38 -34.17 73.51 Favored 'General case' 0 CA--C 1.506 -0.718 0 CA-C-N 115.747 -0.66 . . . . 72.33 109.925 179.458 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -58.75 -43.54 90.31 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 115.283 -0.871 . . . . 63.43 109.932 174.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.22 -40.7 87.63 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.618 0 CA-C-N 115.324 -0.853 . . . . 75.01 110.352 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 101' ' ' PRO . 67.0 mt -61.17 -48.11 90.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.193 -0.458 . . . . 73.4 110.784 179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -64.64 -41.04 96.42 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.627 -0.509 . . . . 72.2 109.627 -178.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -41.37 95.47 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.78 -0.645 . . . . 70.33 110.547 178.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 76.4 t80 -58.92 -42.41 89.61 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 123.704 0.802 . . . . 70.25 110.724 177.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -75.24 -35.02 61.47 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.479 -0.782 . . . . 60.15 112.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.0 -37.2 61.89 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 111.788 0.292 . . . . 75.54 111.788 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.57 114.35 16.33 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 121.125 0.488 . . . . 62.4 111.55 -178.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 . . . . . 0 C--N 1.302 -1.491 0 N-CA-C 108.52 -0.918 . . . . 73.42 108.52 175.07 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 CA--C 1.503 -0.856 0 N-CA-C 109.213 -0.662 . . . . 64.24 109.213 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.2 m -116.14 138.96 50.8 Favored 'General case' 0 C--N 1.306 -1.286 0 CA-C-N 116.448 -0.342 . . . . 73.23 110.265 -178.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -172.1 176.82 45.06 Favored Glycine 0 N--CA 1.433 -1.514 0 N-CA-C 109.119 -1.592 . . . . 32.05 109.119 179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.3 p -104.23 -67.27 0.91 Allowed 'General case' 0 N--CA 1.421 -1.882 0 CA-C-O 121.444 0.64 . . . . 52.24 109.803 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 112.4 121.21 3.89 Favored Glycine 0 N--CA 1.423 -2.202 0 N-CA-C 110.452 -1.059 . . . . 70.5 110.452 -179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -82.83 88.3 6.79 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-O 122.534 1.159 . . . . 73.02 111.747 -176.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -165.89 164.84 37.7 Favored Glycine 0 N--CA 1.417 -2.585 0 N-CA-C 107.448 -2.261 . . . . 53.32 107.448 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.43 ' HA ' ' HE ' ' A' ' 72' ' ' ARG . 2.0 mmp_? -112.14 103.98 12.18 Favored 'General case' 0 C--N 1.292 -1.896 0 CA-C-N 118.151 0.975 . . . . 74.42 110.032 -179.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -129.44 11.23 6.08 Favored Glycine 0 C--N 1.307 -1.048 0 C-N-CA 121.007 -0.616 . . . . 72.01 112.277 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.57 96.14 7.17 Favored 'General case' 0 N--CA 1.423 -1.825 0 N-CA-C 107.799 -1.185 . . . . 74.15 107.799 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.5 mm -70.77 118.38 15.3 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.657 0 CA-C-O 121.967 0.889 . . . . 73.25 109.518 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -86.35 116.22 24.37 Favored 'General case' 0 C--N 1.272 -2.766 0 CA-C-N 114.004 -1.453 . . . . 75.43 109.924 -179.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -142.27 176.12 9.23 Favored 'General case' 0 C--N 1.283 -2.316 0 N-CA-C 105.072 -2.196 . . . . 74.14 105.072 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -63.01 -55.61 24.18 Favored 'General case' 0 C--N 1.309 -1.177 0 CA-C-N 118.206 0.457 . . . . 70.3 109.907 177.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -88.04 92.27 9.08 Favored 'General case' 0 N--CA 1.436 -1.125 0 C-N-CA 119.353 -0.939 . . . . 74.31 109.436 175.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 30.4 p -141.55 -56.41 0.48 Allowed 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 115.643 -0.708 . . . . 61.41 109.953 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.2 -37.16 84.24 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-O 121.143 0.497 . . . . 22.34 110.31 177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.78 83.63 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.117 -0.947 . . . . 63.13 110.526 176.564 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.2 mt -66.52 -38.72 82.27 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.528 0 N-CA-C 109.113 -0.699 . . . . 73.45 109.113 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.506 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 53.5 mtp180 -62.08 -44.92 95.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.591 -0.731 . . . . 62.03 109.386 178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -68.2 -44.08 76.62 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.845 -0.616 . . . . 73.34 110.999 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 84.6 t90 -59.0 -40.8 86.02 Favored 'General case' 0 C--O 1.244 0.804 0 CA-C-O 121.417 0.627 . . . . 63.21 109.877 177.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.25 -49.61 75.01 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 115.581 -0.736 . . . . 63.24 110.051 178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 17.1 mtm180 -63.04 -37.78 88.54 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 110.11 -0.33 . . . . 64.13 110.11 179.357 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -56.9 -45.52 82.55 Favored 'General case' 0 C--O 1.238 0.477 0 C-N-CA 124.012 0.925 . . . . 73.11 109.788 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -77.51 -21.44 52.73 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-N 115.46 -0.791 . . . . 74.52 111.926 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 99.48 28.09 7.73 Favored Glycine 0 C--N 1.303 -1.259 0 C-N-CA 120.624 -0.798 . . . . 65.04 111.819 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -89.69 142.5 27.63 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.073 -1.455 . . . . 74.14 107.073 177.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.5 m-20 -88.03 78.48 8.19 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-O 121.796 0.807 . . . . 73.12 109.882 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 83.7 t -109.92 147.36 14.31 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.382 0 CA-C-N 114.678 -1.146 . . . . 64.31 108.906 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 33.2 t 76.06 19.88 1.76 Allowed 'General case' 0 C--O 1.242 0.69 0 C-N-CA 124.464 1.106 . . . . 73.51 111.211 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 15.6 p -75.12 -43.95 49.9 Favored 'General case' 0 N--CA 1.423 -1.805 0 CA-C-N 114.855 -1.066 . . . . 70.44 108.906 177.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 72.8 mtp180 -97.78 -6.29 33.06 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.356 -0.838 . . . . 71.15 110.018 174.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.84 32.28 13.27 Favored Glycine 0 N--CA 1.444 -0.792 0 CA-C-N 115.145 -0.934 . . . . 53.43 112.164 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 76.8 ttt180 -134.94 154.66 51.61 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 108.096 -1.076 . . . . 75.02 108.096 178.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.3 mt -108.98 115.17 57.48 Favored Pre-proline 0 N--CA 1.437 -1.077 0 N-CA-C 109.668 -0.493 . . . . 74.54 109.668 -179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -57.35 128.4 29.4 Favored 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.027 2.485 . . . . 62.15 112.305 175.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.55 -30.43 71.55 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.133 -0.939 . . . . 72.22 109.653 178.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -60.33 -42.32 95.38 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 107.505 -1.294 . . . . 62.22 107.505 176.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -68.21 -41.08 83.7 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 CA-C-N 114.736 -1.12 . . . . 63.42 110.571 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.69 -43.76 95.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.842 0.353 . . . . 72.42 110.573 178.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -66.86 -39.76 87.67 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.774 -0.371 . . . . 75.02 110.237 178.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.96 -42.13 98.78 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.051 -0.522 . . . . 71.02 110.166 176.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -60.94 -40.45 93.33 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 123.83 0.852 . . . . 74.03 110.862 177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 54.0 m-70 -78.69 -26.25 44.88 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 112.732 0.642 . . . . 73.44 112.732 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.84 -33.96 30.41 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 121.019 0.438 . . . . 60.32 111.609 178.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -91.07 143.79 26.33 Favored 'General case' 0 C--N 1.31 -1.114 0 CA-C-N 116.513 -0.312 . . . . 72.42 111.44 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 27.2 t70 . . . . . 0 C--N 1.301 -1.537 0 N-CA-C 108.066 -1.087 . . . . 63.41 108.066 176.59 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 CA--C 1.515 -0.376 0 N-CA-C 107.965 -1.124 . . . . 53.32 107.965 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.1 m -60.44 99.69 0.08 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 122.988 0.515 . . . . 64.11 111.493 179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -166.74 66.76 0.2 Allowed Glycine 0 N--CA 1.429 -1.826 0 N-CA-C 109.017 -1.633 . . . . 71.53 109.017 179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.0 m -132.37 114.52 14.47 Favored 'General case' 0 C--N 1.296 -1.721 0 CA-C-O 121.163 0.506 . . . . 64.32 110.122 -177.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 105.19 48.71 1.04 Allowed Glycine 0 N--CA 1.425 -2.068 0 CA-C-N 115.562 -0.745 . . . . 54.01 112.008 178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' HA ' ' NE ' ' A' ' 70' ' ' ARG . 0.3 OUTLIER -97.19 106.51 18.85 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.62 -0.882 . . . . 75.54 108.62 176.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 149.44 167.22 13.86 Favored Glycine 0 N--CA 1.417 -2.572 0 C-N-CA 119.333 -1.413 . . . . 74.12 112.716 176.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -89.48 -42.54 11.42 Favored 'General case' 0 C--N 1.288 -2.105 0 N-CA-C 107.917 -1.142 . . . . 73.14 107.917 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -137.92 154.56 22.79 Favored Glycine 0 N--CA 1.416 -2.666 0 N-CA-C 109.149 -1.58 . . . . 55.43 109.149 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -148.34 178.11 8.86 Favored 'General case' 0 C--N 1.29 -2.014 0 N-CA-C 107.188 -1.412 . . . . 71.14 107.188 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.532 ' H ' HD12 ' A' ' 75' ' ' ILE . 3.5 mp -69.08 120.83 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.482 0 N-CA-C 108.516 -0.92 . . . . 75.21 108.516 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.437 ' C ' ' HD2' ' A' ' 77' ' ' ARG . 32.2 t70 -84.72 86.55 7.32 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 114.36 1.244 . . . . 71.33 114.36 -170.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.444 ' HD3' HG22 ' A' ' 75' ' ' ILE . 3.6 mpt_? -138.1 -60.84 0.62 Allowed 'General case' 0 C--N 1.283 -2.326 0 N-CA-C 102.27 -3.233 . . . . 61.24 102.27 168.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -129.55 95.59 4.04 Favored 'General case' 0 N--CA 1.408 -2.546 0 CA-C-N 112.808 -1.996 . . . . 71.44 107.331 178.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 83' ' ' ILE . 50.4 mt-30 -98.76 100.56 11.79 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 108.377 -0.971 . . . . 72.54 108.377 174.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.582 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 21.7 p -50.87 -42.8 59.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.835 0.71 . . . . 64.03 112.272 -176.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.555 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -58.36 -54.8 42.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.002 -0.545 . . . . 62.33 110.911 178.115 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 -36.58 81.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.841 -0.618 . . . . 53.25 111.041 -178.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 79' ' ' GLN . 83.7 mt -63.81 -39.53 85.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.234 -0.439 . . . . 64.23 110.545 178.237 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 80' ' ' SER . 13.6 mtm180 -63.7 -47.61 80.46 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.661 -0.866 . . . . 63.2 108.661 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 38.4 mm-40 -60.76 -45.84 92.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.02 -0.991 . . . . 73.34 109.966 -176.421 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 77.9 t90 -58.36 -46.18 86.79 Favored 'General case' 0 C--O 1.242 0.705 0 C-N-CA 123.514 0.726 . . . . 61.41 110.12 176.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.61 98.63 Favored 'General case' 0 C--N 1.308 -1.23 0 CA-C-N 115.512 -0.767 . . . . 74.44 110.88 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.427 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 26.4 mtp180 -68.46 -35.72 77.97 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-O 120.675 0.274 . . . . 73.31 110.303 178.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -60.44 -37.74 81.89 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 123.741 0.816 . . . . 74.43 110.077 177.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -82.47 -39.18 22.87 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 115.988 -0.551 . . . . 61.45 111.144 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 108.36 44.71 1.14 Allowed Glycine 0 N--CA 1.434 -1.463 0 N-CA-C 110.806 -0.918 . . . . 42.32 110.806 -178.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -101.44 163.77 12.1 Favored 'General case' 0 C--O 1.249 1.048 0 N-CA-C 108.648 -0.871 . . . . 75.2 108.648 178.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -93.84 104.52 16.59 Favored 'General case' 0 C--N 1.295 -1.782 0 N-CA-C 108.812 -0.81 . . . . 74.22 108.812 178.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 39.6 t -84.55 -46.68 17.66 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 107.694 -1.224 . . . . 74.41 107.694 178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.406 ' C ' ' H ' ' A' ' 97' ' ' ARG . 29.6 t 66.5 95.96 0.06 Allowed 'General case' 0 N--CA 1.434 -1.252 0 CA-C-N 113.824 -1.534 . . . . 53.41 110.378 -176.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.8 p -81.79 23.49 0.67 Allowed 'General case' 0 N--CA 1.438 -1.034 0 CA-C-O 121.823 0.82 . . . . 64.31 111.053 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.406 ' H ' ' C ' ' A' ' 95' ' ' SER . 6.4 mpt_? -110.86 17.75 20.23 Favored 'General case' 0 N--CA 1.44 -0.944 0 N-CA-C 107.867 -1.16 . . . . 74.31 107.867 174.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -155.27 -141.52 3.24 Favored Glycine 0 N--CA 1.43 -1.765 0 N-CA-C 108.66 -1.776 . . . . 63.34 108.66 176.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.4 ' HB3' ' H ' ' A' ' 100' ' ' ILE . 28.2 mtp85 -112.59 -159.99 0.7 Allowed 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 109.207 -0.664 . . . . 73.25 109.207 175.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.4 ' H ' ' HB3' ' A' ' 99' ' ' ARG . 30.0 mm -87.17 129.74 50.59 Favored Pre-proline 0 C--N 1.309 -1.177 0 N-CA-C 109.343 -0.614 . . . . 60.31 109.343 -178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_exo -61.22 123.55 13.06 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 122.527 2.151 . . . . 64.35 111.571 174.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.79 -38.82 76.15 Favored 'General case' 0 C--N 1.312 -1.045 0 C-N-CA 124.271 1.028 . . . . 64.14 110.954 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -65.82 -33.39 75.75 Favored 'General case' 0 CA--C 1.505 -0.762 0 CA-C-N 116.033 -0.53 . . . . 55.41 109.844 179.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 14.9 t -70.56 -38.27 72.9 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.461 0 CA-C-N 116.021 -0.536 . . . . 74.15 110.39 177.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.3 mt -62.78 -46.79 95.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.196 0.522 . . . . 75.04 109.656 176.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.81 -43.1 97.27 Favored 'General case' 0 C--N 1.314 -0.962 0 CA-C-N 115.742 -0.663 . . . . 71.33 110.393 178.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.84 -43.45 98.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.82 -0.627 . . . . 74.42 110.286 176.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -56.08 -51.24 68.59 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.045 0.938 . . . . 65.02 110.399 176.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.5 m-70 -65.95 -31.36 72.23 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.263 -0.88 . . . . 74.1 112.378 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -85.28 -19.37 31.66 Favored 'General case' 0 C--N 1.311 -1.094 0 CA-C-O 120.683 0.277 . . . . 71.11 111.48 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -75.1 109.39 8.54 Favored 'General case' 0 CA--C 1.505 -0.758 0 CA-C-O 121.409 0.623 . . . . 70.11 111.964 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--N 1.291 -1.973 0 N-CA-C 106.543 -1.651 . . . . 44.51 106.543 175.869 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.471 0.575 0 CA-C-O 120.597 0.237 . . . . 74.42 110.603 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.3 p -77.51 171.28 15.15 Favored 'General case' 0 C--O 1.248 0.984 0 N-CA-C 110.36 -0.237 . . . . 55.03 110.36 179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.18 -106.97 2.3 Favored Glycine 0 N--CA 1.437 -1.236 0 N-CA-C 109.778 -1.329 . . . . 62.5 109.778 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.2 m -99.55 106.39 18.38 Favored 'General case' 0 N--CA 1.428 -1.554 0 N-CA-C 108.043 -1.095 . . . . 63.34 108.043 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.43 -56.41 11.87 Favored Glycine 0 CA--C 1.498 -0.994 0 N-CA-C 110.547 -1.021 . . . . 53.21 110.547 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -154.62 145.15 22.22 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 108.928 -0.767 . . . . 74.24 108.928 173.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -149.64 141.55 8.97 Favored Glycine 0 N--CA 1.415 -2.747 0 N-CA-C 110.238 -1.145 . . . . 75.41 110.238 179.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -84.64 -37.34 21.17 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 107.865 -1.161 . . . . 64.24 107.865 177.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 70.84 -89.5 0.39 Allowed Glycine 0 N--CA 1.435 -1.422 0 CA-C-N 114.814 -1.085 . . . . 71.5 111.86 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -165.82 177.92 6.87 Favored 'General case' 0 N--CA 1.423 -1.78 0 N-CA-C 107.658 -1.238 . . . . 73.41 107.658 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 75.9 mt -105.75 148.96 9.57 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.978 0 N-CA-C 106.647 -1.612 . . . . 63.13 106.647 179.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -80.21 66.03 5.56 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 122.928 1.347 . . . . 64.42 111.23 -177.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.6 ttp85 -126.65 -24.72 3.52 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 112.907 -1.952 . . . . 72.0 108.164 177.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -132.48 139.55 48.0 Favored 'General case' 0 N--CA 1.41 -2.444 0 N-CA-C 106.031 -1.84 . . . . 74.41 106.031 -173.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 83' ' ' ILE . 84.3 mm-40 -68.74 85.22 0.31 Allowed 'General case' 0 C--N 1.311 -1.093 0 O-C-N 123.834 0.709 . . . . 73.03 112.775 -176.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -99.13 -26.72 14.11 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-N 115.127 -0.942 . . . . 64.32 109.039 176.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -67.65 -39.71 84.59 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 115.459 -0.791 . . . . 74.23 109.027 175.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.412 ' HB3' ' HB3' ' A' ' 79' ' ' GLN . . . -62.74 -36.78 84.14 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-N 115.704 -0.68 . . . . 73.33 110.322 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 79' ' ' GLN . 68.1 mt -63.78 -40.36 88.75 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.554 0 N-CA-C 109.414 -0.587 . . . . 71.14 109.414 176.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.436 ' O ' ' HG3' ' A' ' 88' ' ' ARG . 37.6 mtp180 -61.66 -44.24 97.34 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 116.593 -0.276 . . . . 64.24 110.723 175.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 46.6 mt-10 -62.03 -46.85 87.37 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.313 -0.403 . . . . 53.05 110.196 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -59.11 -42.07 89.69 Favored 'General case' 0 C--O 1.248 0.998 0 C-N-CA 123.539 0.736 . . . . 71.53 110.044 175.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.32 -30.8 71.83 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.537 -0.756 . . . . 61.3 111.069 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.436 ' HG3' ' O ' ' A' ' 84' ' ' ARG . 75.8 mtp180 -75.47 -34.52 60.91 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 123.097 0.559 . . . . 75.05 110.904 176.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 85.7 mtt180 -65.96 -39.59 90.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.31 0.576 . . . . 64.42 109.587 177.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -82.61 -39.44 22.18 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 115.387 -0.824 . . . . 64.24 111.673 179.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 92.44 64.25 1.12 Allowed Glycine 0 N--CA 1.43 -1.705 0 N-CA-C 111.252 -0.739 . . . . 71.44 111.252 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 71.8 m-70 -94.67 21.23 7.6 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.153 0.501 . . . . 74.25 111.2 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 69.85 13.41 8.01 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.408 1.083 . . . . 72.02 113.02 175.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.513 ' O ' ' HG3' ' A' ' 97' ' ' ARG . 52.9 t -76.21 -70.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.277 0 CA-C-N 115.755 -0.657 . . . . 73.11 110.632 -177.101 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 37.0 t 53.93 -87.77 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.315 0 C-N-CA 124.265 1.026 . . . . 63.1 113.335 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.9 p -108.09 1.26 22.2 Favored 'General case' 0 C--O 1.247 0.953 0 N-CA-C 112.725 0.639 . . . . 51.21 112.725 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' HG3' ' O ' ' A' ' 94' ' ' VAL . 41.3 mtt180 -64.48 133.47 52.52 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 108.567 -0.901 . . . . 73.34 108.567 177.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.53 -26.74 60.54 Favored Glycine 0 C--O 1.244 0.761 0 C-N-CA 121.021 -0.609 . . . . 50.22 114.163 -173.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 52.5 mtm180 -95.15 127.6 41.33 Favored 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 109.85 -0.426 . . . . 75.02 109.85 -176.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 4.6 mp -90.86 119.86 68.85 Favored Pre-proline 0 N--CA 1.428 -1.532 0 N-CA-C 107.684 -1.228 . . . . 73.01 107.684 175.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.69 135.63 68.5 Favored 'Trans proline' 0 N--CA 1.445 -1.343 0 C-N-CA 122.219 1.946 . . . . 70.12 111.118 175.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.38 -27.64 68.67 Favored 'General case' 0 C--O 1.21 -1.009 0 N-CA-C 108.969 -0.752 . . . . 71.21 108.969 177.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -61.87 -41.39 97.8 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.852 -1.067 . . . . 74.0 109.052 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 41.5 t -70.92 -42.07 77.15 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.442 0 CA-C-N 115.048 -0.978 . . . . 73.14 110.215 179.442 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.6 mt -62.25 -42.8 96.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.916 -0.584 . . . . 74.21 109.72 177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -61.36 -42.51 98.81 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.586 -0.734 . . . . 73.33 109.978 179.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.39 94.22 Favored 'General case' 0 N--CA 1.445 -0.719 0 CA-C-N 115.167 -0.924 . . . . 50.41 110.398 177.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 62.4 t80 -60.41 -41.54 94.13 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.34 0.656 . . . . 70.55 110.763 177.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -73.3 -27.81 61.75 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.683 -0.69 . . . . 74.51 111.46 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.74 -36.51 57.06 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.474 0.654 . . . . 71.21 109.806 176.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -77.59 151.74 34.28 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.474 -0.785 . . . . 72.41 109.788 177.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 C--N 1.285 -2.207 0 N-CA-C 108.674 -0.861 . . . . 72.53 108.674 177.699 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 CA--C 1.507 -0.704 0 N-CA-C 108.292 -1.003 . . . . 73.34 108.292 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 53.8 m -87.25 94.85 9.78 Favored 'General case' 0 N--CA 1.424 -1.734 0 CA-C-O 121.704 0.764 . . . . 62.4 112.174 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -112.54 54.31 0.55 Allowed Glycine 0 N--CA 1.433 -1.503 0 N-CA-C 108.298 -1.921 . . . . 61.54 108.298 175.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.9 m -67.45 135.94 53.87 Favored 'General case' 0 N--CA 1.432 -1.348 0 CA-C-N 114.931 -0.634 . . . . 61.53 111.183 -176.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -146.83 -63.53 0.01 OUTLIER Glycine 0 N--CA 1.42 -2.367 0 N-CA-C 110.745 -0.942 . . . . 44.1 110.745 179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 43.1 mmt-85 -127.23 121.26 30.72 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 109.565 -0.531 . . . . 75.13 109.565 178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.74 155.34 24.68 Favored Glycine 0 N--CA 1.408 -3.173 0 N-CA-C 108.254 -1.939 . . . . 63.2 108.254 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -100.95 140.86 34.65 Favored 'General case' 0 C--N 1.282 -2.331 0 C-N-CA 118.985 -1.086 . . . . 71.51 109.002 -178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -105.15 -162.28 23.71 Favored Glycine 0 N--CA 1.426 -2.007 0 N-CA-C 110.243 -1.143 . . . . 73.3 110.243 177.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -99.95 129.2 46.0 Favored 'General case' 0 N--CA 1.411 -2.407 0 N-CA-C 106.055 -1.831 . . . . 64.53 106.055 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.92 126.74 35.11 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.009 0 N-CA-C 108.848 -0.797 . . . . 72.3 108.848 -178.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -103.92 -58.0 1.95 Allowed 'General case' 0 C--N 1.28 -2.447 0 CA-C-N 115.377 -0.828 . . . . 75.43 112.073 -173.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -94.89 155.7 16.66 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-N 115.821 -0.627 . . . . 55.04 110.449 -170.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -68.42 108.92 3.44 Favored 'General case' 0 N--CA 1.417 -2.1 0 CA-C-N 114.538 -1.21 . . . . 64.23 108.855 177.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.513 ' O ' HG13 ' A' ' 83' ' ' ILE . 48.5 mt-30 -106.2 85.8 2.26 Favored 'General case' 0 C--N 1.29 -1.981 0 N-CA-C 108.156 -1.053 . . . . 74.45 108.156 177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.5 m -48.88 -47.47 43.04 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 113.812 1.041 . . . . 53.41 113.812 -173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.479 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -69.29 -38.48 78.32 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 120.683 -0.407 . . . . 62.02 110.882 -178.394 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.38 -35.53 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.332 0.395 . . . . 71.42 110.327 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 79' ' ' GLN . 83.4 mt -63.23 -43.71 98.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 109.266 -0.642 . . . . 72.34 109.266 176.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -64.08 -37.43 87.42 Favored 'General case' 0 C--O 1.222 -0.374 0 CA-C-N 116.309 -0.405 . . . . 74.14 110.436 177.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.504 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 13.7 mm-40 -60.25 -54.39 46.34 Favored 'General case' 0 CA--C 1.509 -0.626 0 O-C-N 123.321 0.388 . . . . 62.22 110.444 177.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -55.41 -44.12 75.91 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.753 0.821 . . . . 74.13 110.187 178.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.429 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -58.39 -49.48 77.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.616 -0.72 . . . . 60.44 110.329 177.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -59.93 -41.83 92.63 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 123.509 0.724 . . . . 72.25 111.165 178.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.504 ' HG3' ' O ' ' A' ' 85' ' ' GLU . 95.9 mtt180 -64.76 -36.24 83.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.1 -0.5 . . . . 73.44 111.087 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -78.28 -29.06 47.74 Favored 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 116.323 -0.398 . . . . 61.33 111.148 176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.45 28.56 5.7 Favored Glycine 0 N--CA 1.429 -1.767 0 CA-C-N 115.646 -0.706 . . . . 23.05 112.203 178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.429 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 10.2 m-70 -86.78 149.52 24.8 Favored 'General case' 0 C--O 1.252 1.192 0 N-CA-C 107.91 -1.144 . . . . 71.43 107.91 178.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -102.07 95.36 6.29 Favored 'General case' 0 C--N 1.287 -2.122 0 CA-C-O 121.422 0.63 . . . . 64.23 110.974 -176.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 59.9 t -104.34 126.21 59.08 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 N-CA-C 107.468 -1.308 . . . . 60.41 107.468 177.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.5 m -69.87 127.73 33.92 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 123.448 0.468 . . . . 63.24 110.614 -177.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.9 p -58.7 -35.66 72.99 Favored 'General case' 0 C--O 1.242 0.693 0 CA-C-N 115.87 -0.605 . . . . 71.11 111.791 179.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -108.15 89.72 3.08 Favored 'General case' 0 N--CA 1.429 -1.503 0 N-CA-C 106.044 -1.836 . . . . 64.31 106.044 174.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.76 -173.29 41.39 Favored Glycine 0 N--CA 1.419 -2.452 0 N-CA-C 109.851 -1.3 . . . . 61.44 109.851 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.0 mtt180 -94.6 -179.25 4.82 Favored 'General case' 0 C--N 1.291 -1.975 0 N-CA-C 109.49 -0.559 . . . . 73.43 109.49 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 62.0 mt -100.58 131.83 23.19 Favored Pre-proline 0 C--N 1.293 -1.879 0 N-CA-C 106.836 -1.542 . . . . 63.31 106.836 173.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -54.77 128.44 30.41 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.06 1.84 . . . . 74.3 110.478 173.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.58 -30.96 69.02 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 115.755 -0.657 . . . . 72.32 109.229 178.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -44.26 92.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.885 -1.052 . . . . 74.24 109.83 174.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 42.9 t -67.01 -43.42 89.08 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.449 0 CA-C-N 115.758 -0.655 . . . . 62.44 110.293 178.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 72.1 mt -62.25 -45.39 98.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-O 121.292 0.568 . . . . 74.32 110.238 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -66.13 -40.73 90.86 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-N 115.748 -0.66 . . . . 64.3 110.391 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.17 -42.6 99.41 Favored 'General case' 0 C--O 1.211 -0.96 0 CA-C-N 116.009 -0.541 . . . . 72.52 109.939 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.404 ' CD2' HG12 ' A' ' 83' ' ' ILE . 77.0 t80 -59.01 -41.71 88.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 123.518 0.727 . . . . 71.3 110.907 177.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 -75.98 -33.91 59.77 Favored 'General case' 0 C--N 1.314 -0.96 0 N-CA-C 112.707 0.632 . . . . 55.23 112.707 179.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.82 -22.08 50.53 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-O 121.37 0.605 . . . . 62.42 111.043 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -81.44 122.06 27.04 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.843 -0.617 . . . . 64.51 110.632 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.2 t70 . . . . . 0 C--N 1.293 -1.868 0 N-CA-C 106.027 -1.842 . . . . 74.41 106.027 177.558 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 22.8 ptp . . . . . 0 N--CA 1.472 0.636 0 N-CA-C 111.584 0.216 . . . . 63.25 111.584 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.8 m -96.67 141.57 29.76 Favored 'General case' 0 N--CA 1.439 -0.987 0 N-CA-C 108.592 -0.892 . . . . 74.44 108.592 177.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -143.65 177.62 22.3 Favored Glycine 0 N--CA 1.433 -1.505 0 N-CA-C 111.067 -0.813 . . . . 64.21 111.067 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 23.3 m -88.47 85.74 6.91 Favored 'General case' 0 C--N 1.302 -1.487 0 CA-C-O 121.485 0.66 . . . . 63.43 109.412 178.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 173.12 173.66 39.66 Favored Glycine 0 N--CA 1.417 -2.631 0 N-CA-C 109.942 -1.263 . . . . 71.12 109.942 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -104.5 92.63 4.39 Favored 'General case' 0 C--N 1.296 -1.718 0 CA-C-N 117.119 0.46 . . . . 70.34 110.141 -179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -81.36 -41.06 10.4 Favored Glycine 0 N--CA 1.437 -1.266 0 N-CA-C 109.876 -1.289 . . . . 73.25 109.876 177.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 70.61 -46.42 0.62 Allowed 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 126.398 1.879 . . . . 75.3 112.225 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 160.65 160.82 10.94 Favored Glycine 0 N--CA 1.412 -2.966 0 N-CA-C 109.278 -1.529 . . . . 63.03 109.278 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -118.84 126.03 50.9 Favored 'General case' 0 N--CA 1.418 -2.06 0 N-CA-C 108.957 -0.757 . . . . 71.15 108.957 -179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.3 mp -85.5 120.32 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.021 0 N-CA-C 107.437 -1.319 . . . . 71.21 107.437 177.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -119.91 135.05 55.04 Favored 'General case' 0 C--N 1.283 -2.295 0 CA-C-N 115.173 -0.921 . . . . 72.45 109.217 -177.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 63.98 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 124.476 1.11 . . . . 74.1 110.677 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -169.72 -67.34 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 123.375 0.67 . . . . 73.23 109.392 178.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -109.63 65.29 0.61 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.988 0.899 . . . . 60.22 111.203 179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.5 p -80.39 -27.27 38.17 Favored 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 114.945 -1.025 . . . . 75.44 111.359 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.26 -30.59 63.55 Favored 'General case' 0 C--O 1.218 -0.601 0 CA-C-N 116.241 -0.436 . . . . 74.24 109.919 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.75 -40.15 94.81 Favored 'General case' 0 CA--C 1.512 -0.486 0 CA-C-N 115.922 -0.581 . . . . 72.34 109.569 177.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 65.1 mt -64.37 -43.39 97.07 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 CA-C-N 115.21 -0.904 . . . . 52.22 109.237 177.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 66.4 mtt180 -61.99 -46.94 87.04 Favored 'General case' 0 C--O 1.217 -0.633 0 CA-C-N 115.827 -0.624 . . . . 75.11 111.033 177.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -61.09 -43.84 98.27 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 122.59 0.356 . . . . 74.23 111.301 179.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -59.48 -44.91 92.93 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-O 121.538 0.685 . . . . 72.14 109.54 176.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.3 -42.89 99.42 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.415 -0.811 . . . . 71.4 110.909 179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 6.7 mmm180 -67.19 -37.19 83.26 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 123.496 0.719 . . . . 74.43 110.136 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -65.33 -36.84 85.27 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.362 -0.836 . . . . 75.31 110.238 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -79.25 -45.0 20.64 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.25 0.548 . . . . 74.15 110.401 175.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 115.18 33.47 1.63 Allowed Glycine 0 N--CA 1.435 -1.374 0 CA-C-N 115.7 -0.682 . . . . 53.52 112.152 179.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 17.7 m-70 -86.09 164.27 17.4 Favored 'General case' 0 C--O 1.251 1.175 0 N-CA-C 108.57 -0.9 . . . . 71.25 108.57 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 46.4 m-80 -89.59 90.78 8.41 Favored 'General case' 0 C--N 1.304 -1.409 0 CA-C-O 121.282 0.563 . . . . 73.21 110.671 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 50.6 t -138.7 112.85 7.7 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 N-CA-C 107.715 -1.217 . . . . 75.1 107.715 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.4 m -76.87 143.07 39.91 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.252 0.549 . . . . 65.54 111.185 -177.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.78 127.31 31.48 Favored 'General case' 0 N--CA 1.425 -1.679 0 CA-C-N 115.555 -0.748 . . . . 65.52 109.86 177.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 68.89 6.39 5.56 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.424 1.089 . . . . 74.42 111.956 -176.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -107.02 -172.87 22.59 Favored Glycine 0 N--CA 1.441 -1.011 0 C-N-CA 120.778 -0.725 . . . . 75.23 112.807 -177.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -58.5 130.85 48.75 Favored 'General case' 0 C--N 1.313 -1.012 0 C-N-CA 123.909 0.884 . . . . 61.11 111.688 -178.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 59.6 mt -102.08 121.41 50.63 Favored Pre-proline 0 N--CA 1.431 -1.416 0 N-CA-C 107.845 -1.169 . . . . 54.0 107.845 175.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.05 128.52 30.19 Favored 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.45 2.1 . . . . 64.1 111.272 175.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.47 -33.12 72.12 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.574 -0.739 . . . . 64.42 110.161 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -66.39 -34.21 77.45 Favored 'General case' 0 CA--C 1.507 -0.681 0 CA-C-N 115.472 -0.786 . . . . 73.3 109.829 176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 15.3 t -69.99 -39.46 77.44 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.663 0 CA-C-N 116.174 -0.467 . . . . 73.03 110.104 177.27 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.411 ' O ' ' HB3' ' A' ' 108' ' ' TYR . 75.7 mt -60.97 -45.35 98.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-O 121.176 0.512 . . . . 61.51 109.793 176.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -65.57 -40.99 93.38 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-N 115.7 -0.682 . . . . 70.31 110.374 179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.6 -41.83 99.21 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.895 -0.593 . . . . 74.24 110.154 176.174 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.411 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 60.4 t80 -56.46 -44.19 80.31 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 123.787 0.835 . . . . 72.13 110.638 176.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -72.67 -39.52 67.04 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.391 -0.822 . . . . 73.01 112.556 179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.8 -25.52 59.1 Favored 'General case' 0 C--N 1.314 -0.94 0 N-CA-C 112.532 0.567 . . . . 72.42 112.532 -178.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.1 124.32 29.74 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 121.325 0.583 . . . . 53.42 111.529 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 C--N 1.296 -1.756 0 N-CA-C 105.649 -1.982 . . . . 65.43 105.649 175.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 12.1 tpt . . . . . 0 C--O 1.22 -0.483 0 N-CA-C 107.926 -1.138 . . . . 71.31 107.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.6 m -95.29 162.44 13.68 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 109.427 -0.583 . . . . 64.41 109.427 178.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 112.96 10.09 16.88 Favored Glycine 0 C--N 1.313 -0.705 0 C-N-CA 120.472 -0.871 . . . . 60.13 112.238 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 12.6 m -87.93 -9.9 52.2 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-O 121.884 0.849 . . . . 60.21 109.904 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -175.76 -168.54 36.25 Favored Glycine 0 CA--C 1.487 -1.691 0 N-CA-C 108.078 -2.009 . . . . 61.2 108.078 179.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 67.29 24.73 8.99 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-O 123.026 1.394 . . . . 73.22 109.532 178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -166.06 63.59 0.22 Allowed Glycine 0 N--CA 1.434 -1.495 0 N-CA-C 108.461 -1.856 . . . . 75.51 108.461 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 81.4 mtt180 -75.85 -60.44 2.32 Favored 'General case' 0 C--N 1.313 -1.001 0 CA-C-N 115.284 -0.458 . . . . 75.55 110.442 -175.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 143.17 -142.46 11.41 Favored Glycine 0 N--CA 1.424 -2.137 0 N-CA-C 110.748 -0.941 . . . . 15.54 110.748 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -108.06 -162.85 0.85 Allowed 'General case' 0 C--N 1.296 -1.744 0 N-CA-C 106.979 -1.489 . . . . 44.32 106.979 -178.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.7 mt -109.52 131.16 61.15 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.29 0 N-CA-C 107.684 -1.228 . . . . 43.2 107.684 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -64.87 107.75 1.56 Allowed 'General case' 0 C--N 1.306 -1.295 0 CA-C-O 121.123 0.487 . . . . 72.53 111.982 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 70.7 mtm180 -136.57 -56.39 0.74 Allowed 'General case' 0 C--N 1.306 -1.304 0 N-CA-C 106.294 -1.743 . . . . 74.21 106.294 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -128.4 121.2 28.49 Favored 'General case' 0 N--CA 1.41 -2.428 0 CA-C-N 113.557 -1.656 . . . . 74.22 108.657 -176.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -106.41 97.26 7.08 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.043 -1.466 . . . . 61.11 107.043 170.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.3 p -124.16 -51.46 1.77 Allowed 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 115.784 -0.644 . . . . 62.52 109.543 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.56 -43.74 96.93 Favored 'General case' 0 CA--C 1.503 -0.832 0 CA-C-N 115.427 -0.806 . . . . 54.31 110.214 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.33 78.49 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.57 -0.741 . . . . 71.34 111.273 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 54.8 mt -71.13 -45.1 73.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 N-CA-C 109.26 -0.644 . . . . 61.13 109.26 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 40.3 mtm-85 -60.46 -41.03 93.27 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 116.341 -0.39 . . . . 74.0 110.914 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -71.91 -39.88 69.22 Favored 'General case' 0 C--N 1.31 -1.148 0 CA-C-N 116.075 -0.511 . . . . 73.24 111.85 -178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -61.46 -46.3 90.65 Favored 'General case' 0 C--O 1.248 1.026 0 CA-C-O 121.759 0.79 . . . . 71.04 109.286 174.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.83 -49.66 75.41 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 114.722 -1.127 . . . . 72.41 111.591 -178.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -76.82 -17.69 58.85 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.004 0.372 . . . . 54.42 112.004 -178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 -68.65 -42.32 78.13 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.598 -1.26 . . . . 64.2 107.598 172.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -71.56 -42.23 68.1 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-N 115.155 -0.929 . . . . 72.44 110.97 176.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 113.21 28.87 3.17 Favored Glycine 0 N--CA 1.433 -1.553 0 CA-C-N 115.597 -0.729 . . . . 71.4 111.441 -178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -81.17 158.69 24.85 Favored 'General case' 0 C--O 1.243 0.712 0 N-CA-C 107.742 -1.207 . . . . 72.25 107.742 177.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -86.61 91.87 8.72 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-O 121.267 0.556 . . . . 63.41 110.974 -176.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 60.8 t -126.56 109.14 20.33 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 115.834 -0.621 . . . . 74.23 109.393 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 m -76.25 129.43 36.67 Favored 'General case' 0 N--CA 1.412 -2.351 0 N-CA-C 108.844 -0.798 . . . . 65.25 108.844 177.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.1 p -68.74 -28.3 66.69 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-O 121.029 0.443 . . . . 72.13 111.235 -178.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -111.64 88.96 2.93 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 115.875 -0.602 . . . . 71.23 109.792 174.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.89 -96.06 0.11 Allowed Glycine 0 N--CA 1.423 -2.174 0 N-CA-C 110.687 -0.965 . . . . 54.21 110.687 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -162.1 148.05 13.25 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 107.7 -1.222 . . . . 73.42 107.7 -178.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 69.6 mt -83.04 124.48 76.51 Favored Pre-proline 0 N--CA 1.42 -1.927 0 N-CA-C 107.352 -1.351 . . . . 72.31 107.352 173.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.21 127.02 24.08 Favored 'Trans proline' 0 N--CA 1.453 -0.894 0 C-N-CA 122.635 2.223 . . . . 74.04 111.097 174.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -62.46 -28.64 69.96 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.935 -0.575 . . . . 74.12 109.742 178.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -62.51 -41.43 98.84 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.227 -0.897 . . . . 74.34 109.495 173.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.16 -41.86 84.42 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.54 0 CA-C-N 115.581 -0.736 . . . . 51.44 110.211 177.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.08 -46.9 93.75 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 116.202 -0.454 . . . . 72.12 110.452 178.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -66.22 -35.83 81.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.264 -0.425 . . . . 64.12 110.099 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.78 -41.65 91.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.706 -0.679 . . . . 75.04 110.344 177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.4 t80 -60.78 -39.45 88.88 Favored 'General case' 0 CA--C 1.516 -0.334 0 C-N-CA 123.312 0.645 . . . . 72.44 110.375 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.6 m-70 -77.28 -27.07 52.98 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 115.806 -0.634 . . . . 71.35 112.603 178.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -84.65 -37.13 21.4 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 120.884 0.373 . . . . 42.2 111.848 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.13 123.48 27.4 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 121.012 0.434 . . . . 22.23 111.136 -178.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 33.1 t70 . . . . . 0 C--N 1.306 -1.319 0 CA-C-N 115.812 -0.631 . . . . 71.21 110.166 179.328 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 CA--C 1.503 -0.846 0 N-CA-C 108.253 -1.017 . . . . 73.33 108.253 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 17.7 t -85.1 95.38 9.1 Favored 'General case' 0 N--CA 1.422 -1.828 0 N-CA-C 109.953 -0.388 . . . . 42.12 109.953 -178.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -96.21 95.62 1.81 Allowed Glycine 0 N--CA 1.422 -2.281 0 N-CA-C 109.568 -1.413 . . . . 73.3 109.568 176.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.1 m -67.67 99.02 0.74 Allowed 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 109.818 -0.438 . . . . 71.01 109.818 -179.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -145.16 52.86 0.57 Allowed Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 120.715 -0.755 . . . . 73.15 112.785 -176.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -84.53 -48.05 9.96 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 108.0 -1.111 . . . . 71.32 108.0 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -161.31 167.67 36.28 Favored Glycine 0 N--CA 1.419 -2.494 0 N-CA-C 109.978 -1.249 . . . . 52.14 109.978 -179.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -92.29 -50.44 5.65 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 108.618 -0.882 . . . . 72.23 108.618 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -165.94 127.51 1.62 Allowed Glycine 0 N--CA 1.416 -2.657 0 N-CA-C 109.107 -1.597 . . . . 52.31 109.107 178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -94.5 84.33 4.3 Favored 'General case' 0 N--CA 1.421 -1.885 0 N-CA-C 107.387 -1.338 . . . . 62.23 107.387 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.6 mt -112.73 123.24 68.22 Favored 'Isoleucine or valine' 0 N--CA 1.413 -2.318 0 CA-C-N 113.77 -1.559 . . . . 70.02 109.199 -173.012 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -78.38 129.23 34.73 Favored 'General case' 0 C--N 1.292 -1.933 0 CA-C-O 121.624 0.726 . . . . 64.22 110.033 -179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -137.9 -55.72 0.67 Allowed 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 115.078 -0.965 . . . . 75.25 108.954 178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -101.27 -27.5 13.16 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 115.44 -0.8 . . . . 71.44 109.546 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.62 110.83 5.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.323 -0.853 . . . . 71.25 110.428 176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.0 p -154.83 -64.26 0.13 Allowed 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 116.138 -0.483 . . . . 75.23 109.933 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.45 -39.79 92.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.19 0.519 . . . . 64.2 110.048 179.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.41 -32.76 73.64 Favored 'General case' 0 C--O 1.219 -0.535 0 CA-C-N 115.302 -0.863 . . . . 73.52 110.204 177.366 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.488 HG12 ' CD2' ' A' ' 108' ' ' TYR . 56.3 mt -68.89 -42.57 82.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 109.019 -0.734 . . . . 72.43 109.019 179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.533 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 75.0 mtt180 -60.82 -44.46 96.86 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.808 -0.633 . . . . 64.4 110.432 178.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -74.34 -30.63 62.11 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 112.437 0.532 . . . . 73.23 112.437 -177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.457 ' CG ' ' HD1' ' A' ' 108' ' ' TYR . 57.4 t90 -66.38 -36.18 82.21 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.066 -0.716 . . . . 71.14 109.066 172.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.423 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -64.16 -42.12 96.86 Favored 'General case' 0 N--CA 1.433 -1.319 0 CA-C-N 115.268 -0.878 . . . . 33.4 109.451 176.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 84' ' ' ARG . 33.0 mmt180 -62.95 -43.89 97.55 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 109.057 -0.72 . . . . 74.3 109.057 176.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' TRP . 37.5 ttm180 -54.55 -44.2 72.68 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.468 1.507 . . . . 72.11 110.76 179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -76.25 -53.97 7.46 Favored 'General case' 0 CA--C 1.495 -1.143 0 CA-C-N 116.083 -0.508 . . . . 55.32 110.933 177.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 131.27 38.44 0.28 Allowed Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 120.915 -0.659 . . . . 62.05 112.053 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.423 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 15.2 m-70 -102.19 133.48 46.98 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 106.694 -1.595 . . . . 70.13 106.694 178.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -81.54 71.64 8.56 Favored 'General case' 0 C--N 1.307 -1.265 0 CA-C-O 121.042 0.449 . . . . 74.1 111.5 -177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -84.78 78.68 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-O 122.506 1.146 . . . . 74.44 108.722 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.3 m -140.83 54.82 1.58 Allowed 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 113.905 -1.498 . . . . 73.41 107.451 -179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.3 p -86.79 -88.26 0.13 Allowed 'General case' 0 N--CA 1.418 -2.067 0 CA-C-N 114.685 -1.143 . . . . 62.41 109.986 -179.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -148.91 -60.1 0.23 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.177 -1.416 . . . . 74.02 107.177 175.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -158.62 -21.33 0.03 OUTLIER Glycine 0 N--CA 1.442 -0.963 0 CA-C-N 115.112 -0.949 . . . . 74.4 112.343 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -75.85 116.56 16.68 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 109.437 -0.579 . . . . 74.42 109.437 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 76.5 mt -87.11 129.69 50.89 Favored Pre-proline 0 C--N 1.295 -1.796 0 N-CA-C 108.239 -1.023 . . . . 72.51 108.239 176.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -53.24 124.31 15.35 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.795 2.33 . . . . 61.54 111.989 175.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.34 -35.69 72.28 Favored 'General case' 0 C--N 1.312 -1.047 0 CA-C-N 115.01 -0.996 . . . . 61.44 110.032 178.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -59.86 -41.42 91.45 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.259 -0.882 . . . . 70.1 109.983 175.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 38.6 t -66.52 -40.87 87.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.858 -0.61 . . . . 73.45 110.292 178.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.97 -48.41 86.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 116.163 -0.472 . . . . 63.31 110.898 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -67.08 -35.69 80.35 Favored 'General case' 0 CA--C 1.503 -0.861 0 CA-C-O 120.574 0.226 . . . . 72.05 111.274 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.23 -43.78 93.87 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 116.255 -0.43 . . . . 71.24 109.841 176.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.488 ' CD2' HG12 ' A' ' 83' ' ' ILE . 89.3 t80 -58.58 -47.55 83.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 122.909 0.484 . . . . 72.42 110.965 178.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -69.79 -29.53 66.86 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 113.146 0.795 . . . . 71.13 113.146 -179.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -82.41 -37.09 26.02 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 120.409 -0.516 . . . . 51.33 111.21 178.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.45 138.45 36.6 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-O 121.28 0.562 . . . . 45.43 111.733 -176.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 21.3 t70 . . . . . 0 C--N 1.296 -1.724 0 N-CA-C 108.419 -0.956 . . . . 72.22 108.419 177.251 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 CA--C 1.511 -0.526 0 N-CA-C 109.742 -0.466 . . . . 62.45 109.742 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.6 m -144.84 33.55 1.13 Allowed 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 107.103 -1.443 . . . . 71.4 107.103 178.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.92 60.18 4.47 Favored Glycine 0 N--CA 1.434 -1.47 0 CA-C-N 114.718 -1.128 . . . . 73.44 112.734 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 6.1 p -87.3 95.68 10.08 Favored 'General case' 0 N--CA 1.421 -1.896 0 N-CA-C 108.9 -0.778 . . . . 73.32 108.9 175.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -93.01 43.71 2.55 Favored Glycine 0 N--CA 1.44 -1.098 0 C-N-CA 120.691 -0.766 . . . . 54.0 113.933 -174.143 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -87.71 95.58 10.12 Favored 'General case' 0 C--N 1.31 -1.125 0 C-N-CA 119.993 -0.683 . . . . 74.31 110.095 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -89.73 99.22 2.53 Favored Glycine 0 N--CA 1.422 -2.282 0 N-CA-C 109.248 -1.541 . . . . 53.24 109.248 177.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.5 mtp180 -71.17 95.71 1.29 Allowed 'General case' 0 N--CA 1.434 -1.241 0 CA-C-O 121.784 0.802 . . . . 63.03 112.807 -177.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -143.07 116.31 1.0 Allowed Glycine 0 N--CA 1.413 -2.846 0 N-CA-C 108.19 -1.964 . . . . 54.05 108.19 175.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -106.85 116.48 32.0 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 109.0 -0.741 . . . . 63.43 109.0 -177.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 49.9 mt -92.99 123.24 45.02 Favored 'Isoleucine or valine' 0 C--N 1.282 -2.342 0 CA-C-N 115.363 -0.835 . . . . 75.44 109.325 -175.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -91.77 118.86 31.08 Favored 'General case' 0 C--N 1.284 -2.269 0 N-CA-C 109.127 -0.694 . . . . 73.11 109.127 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -166.31 -173.18 2.46 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.445 -1.317 . . . . 64.04 107.445 -176.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -73.07 96.1 2.13 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 123.576 0.547 . . . . 71.35 109.657 177.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -101.0 81.44 2.25 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 109.084 -0.71 . . . . 73.45 109.084 175.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.8 m -64.72 -32.22 73.79 Favored 'General case' 0 C--N 1.307 -1.244 0 CA-C-N 115.63 -0.714 . . . . 54.44 110.103 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -63.46 -47.59 81.21 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 115.252 -0.885 . . . . 62.32 110.02 178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.87 87.01 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.34 111.065 -178.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 82.0 mt -62.67 -43.29 98.48 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-N 116.133 -0.485 . . . . 65.33 110.229 178.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -63.32 -45.97 88.87 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.053 -0.521 . . . . 62.34 110.488 177.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 28.6 mm-40 -64.21 -42.08 96.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.633 -0.712 . . . . 73.4 110.495 -178.45 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 64.1 t90 -57.54 -48.16 80.05 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 123.76 0.824 . . . . 74.31 109.268 175.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.44 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -59.95 -49.57 77.18 Favored 'General case' 0 C--N 1.308 -1.204 0 CA-C-N 115.221 -0.9 . . . . 52.24 110.905 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 88' ' ' ARG . 0.2 OUTLIER -71.91 -15.19 62.09 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 115.976 -0.556 . . . . 70.11 111.46 179.714 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -78.4 -45.45 22.32 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.658 -0.867 . . . . 71.52 108.658 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -74.81 -49.36 21.0 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 114.304 -1.317 . . . . 64.43 111.941 -176.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 127.04 34.23 0.6 Allowed Glycine 0 C--N 1.301 -1.391 0 C-N-CA 120.554 -0.832 . . . . 74.31 111.523 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.44 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 95.8 m-70 -97.5 140.9 31.24 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 106.388 -1.708 . . . . 75.34 106.388 175.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 39.5 m-80 -82.75 94.48 7.63 Favored 'General case' 0 C--N 1.292 -1.92 0 N-CA-C 113.785 1.032 . . . . 74.04 113.785 -173.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 85.8 t -116.22 115.14 48.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.392 0 N-CA-C 107.19 -1.411 . . . . 71.41 107.19 172.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.1 m -59.45 146.28 40.76 Favored 'General case' 0 C--N 1.306 -1.284 0 O-C-N 123.615 0.572 . . . . 55.14 111.659 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.4 p -61.45 -33.93 74.56 Favored 'General case' 0 C--O 1.249 1.04 0 C-N-CA 123.659 0.784 . . . . 75.14 110.33 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -135.27 128.49 31.94 Favored 'General case' 0 N--CA 1.432 -1.35 0 N-CA-C 106.174 -1.787 . . . . 75.23 106.174 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.0 -139.91 7.14 Favored Glycine 0 C--N 1.296 -1.664 0 N-CA-C 110.835 -0.906 . . . . 55.55 110.835 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -118.09 138.77 52.02 Favored 'General case' 0 C--N 1.305 -1.368 0 N-CA-C 109.819 -0.437 . . . . 71.3 109.819 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 68.5 mt -73.91 120.06 79.34 Favored Pre-proline 0 C--N 1.308 -1.205 0 N-CA-C 107.994 -1.114 . . . . 71.41 107.994 176.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -63.11 125.59 16.15 Favored 'Trans proline' 0 N--CA 1.445 -1.345 0 C-N-CA 122.216 1.944 . . . . 64.11 111.531 178.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.49 -32.78 74.33 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 115.233 -0.894 . . . . 72.51 108.765 178.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.15 -35.97 82.52 Favored 'General case' 0 C--O 1.217 -0.617 0 CA-C-N 115.143 -0.935 . . . . 71.34 109.921 177.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.9 t -68.38 -37.43 77.87 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.365 0 CA-C-N 116.125 -0.488 . . . . 73.15 109.721 175.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.9 mt -63.25 -44.4 99.19 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.696 -0.483 . . . . 65.32 109.696 175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -61.57 -41.8 97.92 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.604 -0.517 . . . . 74.3 109.604 176.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -59.86 -47.55 85.27 Favored 'General case' 0 C--O 1.195 -1.77 0 CA-C-N 115.357 -0.838 . . . . 73.45 110.078 176.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -57.57 -39.22 76.26 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 123.705 0.802 . . . . 61.44 110.606 178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.4 m-70 -81.68 -18.27 45.06 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 113.542 0.941 . . . . 74.42 113.542 -179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -98.95 -34.96 10.23 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 112.809 0.67 . . . . 72.52 112.809 177.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.28 158.42 34.06 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.857 0.836 . . . . 70.33 113.13 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 C--N 1.292 -1.919 0 CA-C-N 114.106 -1.406 . . . . 70.41 107.733 178.334 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 CA--C 1.503 -0.832 0 N-CA-C 110.075 -0.343 . . . . 74.51 110.075 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 25.4 t 70.74 100.72 0.06 Allowed 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 124.766 1.226 . . . . 42.13 111.77 177.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -106.83 -166.71 22.44 Favored Glycine 0 N--CA 1.423 -2.219 0 N-CA-C 108.529 -1.829 . . . . 45.14 108.529 176.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 47.2 m -89.27 87.21 7.05 Favored 'General case' 0 C--N 1.284 -2.243 0 CA-C-N 117.755 0.777 . . . . 73.03 109.58 177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -72.29 99.52 0.89 Allowed Glycine 0 CA--C 1.49 -1.52 0 N-CA-C 108.081 -2.008 . . . . 72.3 108.081 175.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -126.78 134.35 50.61 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.193 0.52 . . . . 71.4 110.377 -171.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -129.91 68.29 0.55 Allowed Glycine 0 N--CA 1.417 -2.622 0 N-CA-C 107.949 -2.06 . . . . 32.13 107.949 177.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 71.34 103.34 0.06 Allowed 'General case' 0 C--O 1.239 0.5 0 C-N-CA 124.852 1.261 . . . . 65.44 111.791 -177.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -162.0 147.35 13.49 Favored Glycine 0 N--CA 1.427 -1.917 0 N-CA-C 109.023 -1.631 . . . . 73.14 109.023 -178.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 69.01 66.52 0.28 Allowed 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 122.964 1.364 . . . . 72.42 108.577 -176.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 30.0 mt -67.56 129.86 32.42 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.941 0 CA-C-N 112.503 -2.135 . . . . 62.45 110.621 -174.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -79.9 76.96 6.59 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.716 0.77 . . . . 64.35 110.683 -178.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -170.62 -49.0 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 104.605 -2.368 . . . . 72.32 104.605 178.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -102.5 78.38 1.72 Allowed 'General case' 0 N--CA 1.43 -1.441 0 N-CA-C 106.988 -1.486 . . . . 72.02 106.988 172.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.1 mm-40 -79.67 134.04 36.4 Favored 'General case' 0 N--CA 1.421 -1.909 0 CA-C-N 115.238 -0.892 . . . . 62.13 111.818 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.435 ' O ' ' HG3' ' A' ' 84' ' ' ARG . 26.8 p -137.74 -39.74 0.56 Allowed 'General case' 0 C--N 1.281 -2.371 0 CA-C-N 114.104 -1.407 . . . . 73.34 108.612 178.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.587 ' O ' ' HG2' ' A' ' 85' ' ' GLU . . . -57.98 -49.61 76.24 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.692 -0.685 . . . . 75.5 110.1 177.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.74 -34.61 73.18 Favored 'General case' 0 C--O 1.221 -0.417 0 CA-C-N 116.022 -0.535 . . . . 44.12 111.564 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.442 ' HB ' HD13 ' A' ' 100' ' ' ILE . 52.4 mt -67.45 -39.74 83.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.839 -0.43 . . . . 74.1 109.839 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 80' ' ' SER . 27.1 mtm180 -63.47 -46.03 88.06 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 108.565 -0.902 . . . . 74.41 108.565 178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 81' ' ' ALA . 34.0 mm-40 -62.51 -47.11 85.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.756 -1.111 . . . . 73.34 110.347 -177.007 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 68.9 t90 -57.32 -42.85 82.65 Favored 'General case' 0 C--O 1.25 1.083 0 CA-C-N 115.739 -0.664 . . . . 72.24 109.98 175.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.443 ' HB1' ' HB2' ' A' ' 92' ' ' HIS . . . -61.41 -41.64 97.47 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.427 -0.806 . . . . 55.42 110.914 179.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.455 ' NH1' ' HA ' ' A' ' 95' ' ' SER . 72.3 mtp85 -72.33 -30.21 64.54 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 111.762 0.282 . . . . 75.42 111.762 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 -66.66 -40.52 88.68 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.992 -0.373 . . . . 72.23 109.992 175.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -75.36 -33.06 61.03 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.26 -0.427 . . . . 73.13 111.674 177.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 104.76 38.56 2.52 Favored Glycine 0 C--N 1.303 -1.282 0 C-N-CA 120.799 -0.715 . . . . 71.5 112.154 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.443 ' HB2' ' HB1' ' A' ' 87' ' ' ALA . 16.6 m-70 -92.84 165.89 12.69 Favored 'General case' 0 C--N 1.309 -1.189 0 N-CA-C 107.575 -1.268 . . . . 72.52 107.575 177.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 44.6 m-80 -88.67 84.6 6.72 Favored 'General case' 0 C--N 1.304 -1.4 0 CA-C-O 121.375 0.607 . . . . 74.23 112.467 -176.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 48.4 t -142.61 122.63 10.12 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 106.703 -1.591 . . . . 75.13 106.703 176.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.455 ' HA ' ' NH1' ' A' ' 88' ' ' ARG . 19.1 t -97.87 -82.59 0.42 Allowed 'General case' 0 N--CA 1.424 -1.739 0 C-N-CA 119.83 -0.748 . . . . 72.12 109.788 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.6 p -136.53 -51.54 0.69 Allowed 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 111.757 0.28 . . . . 72.13 111.757 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -111.43 179.75 3.94 Favored 'General case' 0 C--O 1.244 0.782 0 CA-C-O 121.161 0.505 . . . . 71.23 112.106 179.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.01 19.5 26.26 Favored Glycine 0 CA--C 1.501 -0.822 0 N-CA-C 108.772 -1.731 . . . . 73.44 108.772 -175.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 61.19 -111.76 0.47 Allowed 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 125.457 1.503 . . . . 73.12 109.706 -176.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.442 HD13 ' HB ' ' A' ' 83' ' ' ILE . 52.4 mt -161.37 133.46 4.21 Favored Pre-proline 0 C--N 1.308 -1.202 0 N-CA-C 106.026 -1.842 . . . . 75.45 106.026 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_exo -55.76 130.93 43.06 Favored 'Trans proline' 0 N--CA 1.452 -0.951 0 C-N-CA 121.801 1.667 . . . . 70.14 110.089 171.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.07 -31.82 69.23 Favored 'General case' 0 C--N 1.313 -1.005 0 C-N-CA 122.947 0.499 . . . . 65.11 110.138 179.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -63.94 -37.54 87.77 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.298 -0.865 . . . . 73.04 109.572 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.3 t -70.85 -38.08 71.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.868 -0.606 . . . . 75.14 110.337 178.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -63.23 -43.75 98.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 N-CA-C 109.656 -0.498 . . . . 72.52 109.656 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.75 -42.41 97.34 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.62 -0.718 . . . . 71.13 109.597 177.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.38 -43.89 96.32 Favored 'General case' 0 N--CA 1.439 -1.016 0 CA-C-N 115.244 -0.889 . . . . 65.05 110.833 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -61.97 -42.65 99.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.149 0.579 . . . . 43.41 110.689 178.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 19.6 m-70 -70.9 -28.56 64.63 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.906 -0.588 . . . . 71.51 111.878 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -81.93 -36.65 27.8 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 116.531 -0.304 . . . . 64.13 111.417 177.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -70.43 128.43 36.16 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-O 121.324 0.583 . . . . 64.22 112.16 -177.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.3 t70 . . . . . 0 C--N 1.296 -1.719 0 N-CA-C 107.148 -1.427 . . . . 70.22 107.148 176.963 . . . . . . . . 0 0 . 1 stop_ save_