data_2e3e_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2e3e _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.555 ' O ' ' HG ' ' A' ' 25' ' ' LEU . . . -156.23 -92.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -30.64 -55.39 0.2 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -59.27 -48.44 81.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 58.9 m -66.81 -38.44 86.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.669 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 21' ' ' ALA . 75.3 mt -55.94 -31.78 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.838 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -55.06 -50.47 63.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.448 . . . . 0.0 109.998 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -78.07 -39.62 41.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.889 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 120.68 39.41 0.61 Allowed Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.225 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.674 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 1.2 m-85 -114.31 155.65 25.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.21 39.03 1.18 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 165.19 139.45 2.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.619 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.767 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . 179.2 166.86 35.76 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.855 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.425 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 2.1 p90 -64.0 127.83 33.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.244 0.545 . . . . 0.0 110.617 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.994 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 6.6 p -83.47 151.19 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -136.53 119.17 16.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 71.86 -63.14 0.44 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.919 0.762 . . . . 0.0 110.388 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -156.05 -41.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 122.59 0.356 . . . . 0.0 111.026 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' A' ' 38' ' ' ILE . 48.5 mm -83.02 135.22 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.8 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.994 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -85.35 134.76 34.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.177 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -96.44 90.89 5.56 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.767 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 75.9 m -48.91 137.18 13.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.394 -1.275 . . . . 0.0 113.178 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -132.7 32.71 3.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.166 -179.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.62 118.4 3.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.19 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 7.4 pttp -95.6 147.25 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.784 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.064 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.415 0.15 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.55 -54.73 42.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.597 0.237 . . . . 0.0 110.708 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 49.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -163.52 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 66.0 m -72.32 -44.1 63.17 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.229 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.36 -27.53 69.37 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.156 -179.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 t -55.28 -48.54 76.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 0.0 110.577 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.39 -53.2 7.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.089 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 149.64 45.31 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.703 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.435 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 49.6 m-85 -130.46 133.68 46.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -67.27 -33.13 74.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 41' ' ' CYS . . . 64.89 -144.15 47.68 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.977 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.6 21.07 78.83 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.132 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.598 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . 1.8 m-30 -80.46 80.65 6.87 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 122.457 0.303 . . . . 0.0 111.488 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.2 p -75.91 99.1 4.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.13 0.491 . . . . 0.0 110.062 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -149.84 129.22 12.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.465 ' C ' ' H ' ' A' ' 38' ' ' ILE . 0.7 OUTLIER 62.25 35.58 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -178.095 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 68.97 -22.97 0.14 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.649 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' ASN . 50.2 mm -87.77 129.56 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.747 0.308 . . . . 0.0 111.013 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.74 112.4 19.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 39.1 m-70 -90.99 163.45 14.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.492 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 79.7 m -90.63 -104.51 0.1 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 81.0 mtp180 62.9 -177.48 0.14 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 122.957 0.503 . . . . 0.0 111.908 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.42 62.2 1.84 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.536 0.684 . . . . 0.0 109.905 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 54.2 tttm -63.73 150.39 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.227 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.448 178.523 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.7 p . . . . . 0 C--O 1.223 -0.321 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.87 0.97 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 50.5 0.96 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.545 0.688 . . . . 0.0 110.542 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -159.24 -47.66 0.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 72.4 m -73.34 -53.36 10.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.645 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.92 -44.67 92.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.921 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.11 -36.73 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 27' ' ' LYS . 32.3 mmtp -81.09 -20.59 41.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.762 0.315 . . . . 0.0 111.25 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.14 39.57 3.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.177 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.833 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 12.6 m-85 -117.49 136.34 53.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 mtm-85 -85.78 -23.39 27.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 110.116 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 152.04 42.32 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.988 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.74 31.5 0.1 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -73.6 147.43 43.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.538 -0.331 . . . . 0.0 111.046 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 44.4 m -72.63 136.7 45.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.76 ' HB3' ' HD2' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -142.77 117.35 9.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 35' ' ' LYS . 30.8 t30 74.92 -50.83 0.67 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.02 0.825 . . . . 0.0 109.944 -177.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -171.83 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.844 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.43 HG21 HD12 ' A' ' 38' ' ' ILE . 47.5 mm -90.52 145.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.942 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 3.4 p -71.86 143.84 49.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.76 ' HD2' ' HB3' ' A' ' 35' ' ' LYS . 78.3 m-70 -125.85 148.94 49.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.355 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.9 m -65.22 -110.87 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.35 -0.841 . . . . 0.0 113.265 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 74.69 144.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.087 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 t0 67.18 86.66 0.13 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.584 0.707 . . . . 0.0 110.811 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.833 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 25.3 pttm -73.28 164.7 26.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.816 -179.8 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.3 m . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 25' ' ' LEU . . . -56.33 -50.5 71.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.23 78.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 111.637 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -70.31 -45.08 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.607 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.757 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 62.1 m -73.94 -49.04 26.47 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.681 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 11.2 mp -61.22 -35.27 76.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 27' ' ' LYS . 8.9 p -66.41 -34.21 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.021 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.465 ' N ' HG11 ' A' ' 26' ' ' VAL . 31.5 mmmt -84.09 -57.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.75 40.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.757 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 81.6 m-85 -126.31 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -95.89 -43.11 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.821 0.343 . . . . 0.0 110.629 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.9 107.3 0.21 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.928 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.842 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -80.77 -111.41 0.31 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.182 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -141.75 137.37 31.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 110.688 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 2.6 p -87.99 119.12 28.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 37' ' ' LYS . 25.0 ttmm -87.22 94.93 9.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 74.8 -42.96 0.51 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.032 0.832 . . . . 0.0 109.584 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 35' ' ' LYS . 4.8 tppp? -164.9 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 tp -67.14 116.18 6.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 111.04 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -79.59 109.96 14.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.697 -179.156 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -101.16 115.17 29.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.842 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 97.0 m -81.4 142.18 33.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.329 0.585 . . . . 0.0 112.401 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -153.45 29.72 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.4 1.095 . . . . 0.0 108.556 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -114.71 -144.54 0.39 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.419 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -175.71 154.69 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.681 ' HZ ' ' HG ' ' A' ' 25' ' ' LEU . 17.1 m-85 . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.79 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 121.426 0.631 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.39 -70.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.08 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.67 -52.48 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.813 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.437 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 65.4 m-70 -62.34 -40.02 95.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.3 m -67.47 -60.16 2.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.98 -38.11 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -59.06 -40.75 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 118.455 0.571 . . . . 0.0 110.612 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 60.3 mttm -73.58 -50.17 22.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 144.56 40.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.45 -0.881 . . . . 0.0 113.267 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -136.84 131.33 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.494 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -81.94 49.3 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.813 0.816 . . . . 0.0 109.53 178.208 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.18 -135.86 13.7 Favored Glycine 0 N--CA 1.441 -0.968 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' A' ' 40' ' ' HIS . . . 172.67 -151.53 14.43 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.215 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -77.71 144.61 37.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.116 0.484 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 22.6 p -116.05 124.2 49.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.794 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 87.1 tttt -79.99 60.9 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.534 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 m120 75.73 -33.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.459 0.704 . . . . 0.0 110.746 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 35' ' ' LYS . 24.2 ttmm -146.82 -57.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.429 HG23 ' NE2' ' A' ' 40' ' ' HIS . 61.8 mt -68.51 119.65 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 1.6 p -103.3 147.15 27.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.442 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 97.4 m-70 -132.77 136.35 46.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -60.78 122.2 14.21 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.198 0.311 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -167.02 44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.692 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -151.14 70.6 0.99 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.25 0.548 . . . . 0.0 109.668 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 80.8 tttt -66.59 150.7 48.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.04 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 24' ' ' CYS . . . -154.07 40.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.325 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.97 -58.6 7.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.835 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -66.24 -31.58 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.747 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 99.3 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 30' ' ' ARG . 24.3 mt -62.51 -36.19 81.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.316 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -62.18 -43.37 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 110.137 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.43 -54.55 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.639 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.571 ' O ' ' HD3' ' A' ' 44' ' ' LYS . . . 150.77 37.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.611 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.658 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 7.0 m-85 -124.52 129.54 50.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.592 ' HA ' HD22 ' A' ' 25' ' ' LEU . 6.1 ttt-85 -72.65 -38.47 67.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.039 0.447 . . . . 0.0 109.949 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.69 -157.55 18.8 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.666 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.714 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -177.37 -128.71 1.17 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 40' ' ' HIS . 10.1 p90 -129.9 128.61 42.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 17.5 p -88.91 131.05 35.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.938 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -159.49 142.96 14.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.339 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 63.17 -113.88 0.43 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.542 0.526 . . . . 0.0 110.042 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -135.61 27.67 3.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 111.211 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -147.4 116.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.591 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 34' ' ' CYS . 63.3 m -79.01 100.03 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . 94.6 m-70 -74.95 104.38 5.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.714 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -74.79 144.9 43.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.295 -179.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -156.28 61.5 0.56 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -157.15 71.5 0.66 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.774 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HD3' ' O ' ' A' ' 28' ' ' GLY . 5.3 tppp? -64.27 145.41 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.161 179.207 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m . . . . . 0 C--O 1.233 0.194 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.04 -67.83 0.08 Allowed 'General case' 0 C--O 1.227 -0.1 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.04 66.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -56.78 -41.19 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 109.613 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.7 m -80.41 -59.22 2.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.339 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 11.1 mp -56.18 -45.94 79.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.21 -42.63 95.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.275 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -68.33 -46.06 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.251 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.52 42.1 0.12 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.583 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -145.01 137.88 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.609 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -80.6 -13.53 58.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.865 0.841 . . . . 0.0 108.769 178.648 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 167.42 -142.24 7.41 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.551 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.32 -80.43 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.748 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 43.8 p90 -162.28 146.91 12.36 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.87 130.46 34.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.748 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 19.1 ttmm -125.8 149.82 48.29 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -49.93 -37.57 32.44 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.535 0.522 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.94 -48.71 23.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 tt -172.39 162.78 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.589 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -64.87 128.48 35.95 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -114.85 117.28 30.27 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 m -72.25 130.77 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.711 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -172.35 46.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.353 0.597 . . . . 0.0 109.795 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -166.23 114.72 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.431 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.34 152.23 41.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.609 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 50.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.67 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.233 0.191 0 N-CA-C 110.744 -0.095 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.88 -85.57 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -47.48 -44.3 25.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -176.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -54.85 -41.36 70.68 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.336 0.588 . . . . 0.0 109.902 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 71.1 m -76.72 -51.76 10.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.794 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -56.44 -46.1 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' ALA . 73.1 t -61.43 -41.5 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.53 -1.05 35.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.64 10.93 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.471 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 93.6 m-85 -133.87 129.3 36.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.585 ' HD3' ' H ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -95.8 59.29 2.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.18 0.99 . . . . 0.0 108.68 178.003 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -150.09 21.81 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.751 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.04 -66.69 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.025 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.551 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 31.3 p90 -161.04 145.6 13.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 136.49 33.5 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.908 0.385 . . . . 0.0 111.161 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 22.0 ttmm -124.58 145.35 49.65 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -51.56 -35.06 39.48 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.452 0.47 . . . . 0.0 111.302 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -72.28 -51.23 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.229 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.579 HG12 ' H ' ' A' ' 39' ' ' CYS . 9.2 tt -176.05 174.85 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.704 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.579 ' H ' HG12 ' A' ' 38' ' ' ILE . 30.9 m -63.49 146.16 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.507 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -139.28 121.65 16.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.236 0.541 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.92 133.29 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.059 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -172.54 47.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.917 0.865 . . . . 0.0 109.719 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -158.88 93.16 1.15 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.935 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.1 155.78 23.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.928 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.859 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 1.018 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . 61.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB2' ' HG ' ' A' ' 25' ' ' LEU . . . -176.15 40.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.96 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.475 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -77.52 -21.73 52.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.784 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 75.6 m -61.04 -50.31 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.693 ' HG ' ' HB2' ' A' ' 21' ' ' ALA . 94.8 mt -58.75 -38.68 78.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.623 0.249 . . . . 0.0 111.142 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.16 -49.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.74 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -68.3 -45.3 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.306 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.422 ' O ' ' HD2' ' A' ' 44' ' ' LYS . . . 137.48 37.98 0.15 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.585 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.784 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 6.0 m-85 -124.5 123.13 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.59 ' NH2' ' HA ' ' A' ' 45' ' ' PHE . 8.0 ptp85 -80.87 -32.62 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.092 0.472 . . . . 0.0 111.312 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 43' ' ' ASP . . . 169.4 -135.95 3.81 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 41' ' ' CYS . . . 171.19 -64.71 0.15 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.199 -1.0 . . . . 0.0 112.468 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -162.43 133.02 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.491 0.662 . . . . 0.0 111.483 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.5 m -85.36 141.6 29.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.587 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 68.4 mttm -150.3 128.33 11.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 62.14 -129.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 25.2 tptp -116.04 32.53 6.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.023 0.915 . . . . 0.0 108.688 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -128.5 123.08 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.457 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 1.018 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 3.2 m -82.29 113.92 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 97.8 m-70 -91.2 137.5 32.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.519 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 25.9 m -77.45 -138.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.433 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 86.2 41.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.016 0.926 . . . . 0.0 110.332 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 21.4 t70 -153.05 100.12 2.46 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.143 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 25.4 tptp -70.59 141.48 51.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.708 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.59 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 12.4 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.121 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.924 0.392 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 p -72.79 140.46 47.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.56 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.0 m -82.01 38.16 0.52 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.947 0.403 . . . . 0.0 110.799 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -97.14 33.55 1.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.616 0.722 . . . . 0.0 109.765 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -140.68 -155.7 0.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.622 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.06 40.35 25.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.456 0.646 . . . . 0.0 110.541 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 m -75.45 65.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.107 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.609 ' HE1' ' HA ' ' A' ' 16' ' ' ASN . 5.3 t80 63.37 -129.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.659 ' HA ' ' O ' ' A' ' 12' ' ' TRP . 14.5 m -92.85 31.82 1.34 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -73.57 -53.89 9.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.297 0.57 . . . . 0.0 109.595 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -135.29 19.72 3.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.434 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.659 ' O ' ' HA ' ' A' ' 9' ' ' SER . 17.7 m95 -142.24 146.91 35.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.736 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.407 ' O ' HG21 ' A' ' 13' ' ' VAL . 13.2 p -79.09 39.29 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-O 122.106 0.955 . . . . 0.0 110.56 179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.417 ' H ' ' C ' ' A' ' 12' ' ' TRP . 6.1 m -63.79 126.96 90.97 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.97 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 14' ' ' THR . 66.1 Cg_endo -77.81 -44.26 0.18 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.896 2.397 . . . . 0.0 113.576 -178.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.609 ' HA ' ' HE1' ' A' ' 8' ' ' PHE . 42.9 t30 -167.52 -35.06 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.57 124.63 9.83 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.11 0.481 . . . . 0.0 109.86 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.512 ' C ' ' H ' ' A' ' 20' ' ' CYS . 27.2 p -59.25 -72.78 0.09 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.05 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' A' ' 38' ' ' ILE . 97.0 mt 71.11 -42.95 0.55 Allowed 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.031 0.832 . . . . 0.0 110.2 -178.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.512 ' H ' ' C ' ' A' ' 18' ' ' SER . 5.7 t -174.13 45.16 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.614 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.555 ' O ' ' HG ' ' A' ' 25' ' ' LEU . . . -156.23 -92.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.432 ' HB1' ' HB3' ' A' ' 18' ' ' SER . . . -30.64 -55.39 0.2 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -59.27 -48.44 81.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.674 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 58.9 m -66.81 -38.44 86.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.669 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 21' ' ' ALA . 75.3 mt -55.94 -31.78 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.838 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -55.06 -50.47 63.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.448 . . . . 0.0 109.998 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -78.07 -39.62 41.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.889 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 120.68 39.41 0.61 Allowed Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.225 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.674 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 1.2 m-85 -114.31 155.65 25.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.21 39.03 1.18 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 165.19 139.45 2.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.619 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.767 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . 179.2 166.86 35.76 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.855 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.425 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 2.1 p90 -64.0 127.83 33.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.244 0.545 . . . . 0.0 110.617 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.994 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 6.6 p -83.47 151.19 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -136.53 119.17 16.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 71.86 -63.14 0.44 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.919 0.762 . . . . 0.0 110.388 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -156.05 -41.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 122.59 0.356 . . . . 0.0 111.026 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.434 ' HA ' HD12 ' A' ' 38' ' ' ILE . 48.5 mm -83.02 135.22 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.8 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.994 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -85.35 134.76 34.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.177 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -96.44 90.89 5.56 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.767 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 75.9 m -48.91 137.18 13.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.394 -1.275 . . . . 0.0 113.178 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.428 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -132.7 32.71 3.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.166 -179.511 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.62 118.4 3.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.19 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 7.4 pttp -95.6 147.25 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.784 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.064 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.669 0.271 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.7 p -128.35 -129.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.297 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.466 ' HA ' ' HB3' ' A' ' 34' ' ' CYS . 60.2 m 68.16 2.08 3.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.0 0.52 . . . . 0.0 112.13 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t0 64.97 151.04 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.767 0.794 . . . . 0.0 111.377 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 tt -82.24 -23.07 35.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . . . 67.77 45.51 1.43 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.105 -1.407 . . . . 0.0 110.37 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -124.89 140.98 52.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.662 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.424 ' CZ ' ' HB3' ' A' ' 25' ' ' LEU . 45.4 m-85 -72.94 -56.34 5.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.922 0.868 . . . . 0.0 109.077 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.404 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . 5.0 p -173.92 48.31 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.993 -1.458 . . . . 0.0 109.503 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -62.26 -54.2 44.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.6 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -87.87 -38.11 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.248 0.547 . . . . 0.0 111.227 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -162.91 148.76 12.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.901 -178.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 19.4 t -76.72 79.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.147 0.499 . . . . 0.0 110.187 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -76.49 125.13 87.87 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.0 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.32 -34.83 33.93 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.518 2.146 . . . . 0.0 109.675 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -109.93 -147.96 0.42 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.388 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 69.25 -67.36 0.22 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.173 0.589 . . . . 0.0 111.741 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 p -77.54 56.54 1.44 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.054 0.455 . . . . 0.0 110.627 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.0 mt -55.99 -49.22 74.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.856 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.76 -34.49 11.31 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.671 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . . . -56.55 -54.73 42.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.597 0.237 . . . . 0.0 110.708 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 49.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -163.52 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.417 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 66.0 m -72.32 -44.1 63.17 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.229 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 4.0 mm? -63.36 -27.53 69.37 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.156 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 t -55.28 -48.54 76.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 0.0 110.577 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.39 -53.2 7.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.089 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.456 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 149.64 45.31 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.703 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.435 ' HB3' ' O ' ' A' ' 42' ' ' ARG . 49.6 m-85 -130.46 133.68 46.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -67.27 -33.13 74.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.492 ' HA2' ' HA ' ' A' ' 41' ' ' CYS . . . 64.89 -144.15 47.68 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.977 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.6 21.07 78.83 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.132 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.598 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . 1.8 m-30 -80.46 80.65 6.87 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 122.457 0.303 . . . . 0.0 111.488 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 3.2 p -75.91 99.1 4.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.13 0.491 . . . . 0.0 110.062 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -149.84 129.22 12.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.465 ' C ' ' H ' ' A' ' 38' ' ' ILE . 0.7 OUTLIER 62.25 35.58 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -178.095 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 68.97 -22.97 0.14 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.649 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.465 ' H ' ' C ' ' A' ' 36' ' ' ASN . 50.2 mm -87.77 129.56 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.747 0.308 . . . . 0.0 111.013 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.74 112.4 19.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 39.1 m-70 -90.99 163.45 14.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.492 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 79.7 m -90.63 -104.51 0.1 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.435 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 81.0 mtp180 62.9 -177.48 0.14 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 122.957 0.503 . . . . 0.0 111.908 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.42 62.2 1.84 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.536 0.684 . . . . 0.0 109.905 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 54.2 tttm -63.73 150.39 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.227 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.448 178.523 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 p 48.26 44.06 19.44 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.168 0.587 . . . . 0.0 112.123 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 m -82.59 -33.41 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.481 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -64.27 131.07 46.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.033 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.418 HD12 ' HG ' ' A' ' 19' ' ' LEU . 51.8 mt -85.12 -15.78 42.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.035 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.91 25.19 13.9 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.698 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 m -83.51 52.48 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.563 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.04 137.33 48.9 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m 70.27 159.84 0.2 Allowed 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.757 0.661 . . . . 0.0 111.256 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 m -71.68 78.96 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.223 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -77.3 -127.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.896 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -113.47 134.89 54.42 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.335 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t 67.12 126.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 123.935 0.772 . . . . 0.0 111.997 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.462 ' HB ' ' CB ' ' A' ' 17' ' ' ASP . 20.7 p 49.64 78.94 0.37 Allowed Pre-proline 0 N--CA 1.468 0.45 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.341 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.93 -30.87 25.58 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.971 2.447 . . . . 0.0 112.906 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -99.06 25.36 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.103 0.477 . . . . 0.0 111.098 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.462 ' CB ' ' HB ' ' A' ' 14' ' ' THR . 10.8 t70 -121.87 128.82 52.03 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.692 ' HB2' ' H ' ' A' ' 22' ' ' ALA . 79.6 p -165.68 -26.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.779 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.419 ' HB2' ' O ' ' A' ' 18' ' ' SER . 85.9 mt 78.41 -37.61 0.22 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.062 0.851 . . . . 0.0 110.239 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' H ' ' C ' ' A' ' 18' ' ' SER . 24.7 p -163.59 -37.23 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.559 179.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.87 0.97 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.692 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -78.48 50.5 0.96 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.545 0.688 . . . . 0.0 110.542 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -159.24 -47.66 0.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 72.4 m -73.34 -53.36 10.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.645 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.92 -44.67 92.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.921 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.11 -36.73 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 27' ' ' LYS . 32.3 mmtp -81.09 -20.59 41.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.762 0.315 . . . . 0.0 111.25 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.14 39.57 3.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.177 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.833 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 12.6 m-85 -117.49 136.34 53.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 mtm-85 -85.78 -23.39 27.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 110.116 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 152.04 42.32 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.988 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.74 31.5 0.1 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -73.6 147.43 43.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.538 -0.331 . . . . 0.0 111.046 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 44.4 m -72.63 136.7 45.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.76 ' HB3' ' HD2' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -142.77 117.35 9.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.294 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 35' ' ' LYS . 30.8 t30 74.92 -50.83 0.67 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.02 0.825 . . . . 0.0 109.944 -177.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -171.83 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.844 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.43 HG21 HD12 ' A' ' 38' ' ' ILE . 47.5 mm -90.52 145.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.942 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.539 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 3.4 p -71.86 143.84 49.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.76 ' HD2' ' HB3' ' A' ' 35' ' ' LYS . 78.3 m-70 -125.85 148.94 49.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.355 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.9 m -65.22 -110.87 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.35 -0.841 . . . . 0.0 113.265 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 74.69 144.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.087 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 t0 67.18 86.66 0.13 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.584 0.707 . . . . 0.0 110.811 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.833 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 25.3 pttm -73.28 164.7 26.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.816 -179.8 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.9 m -160.64 132.95 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -146.82 37.68 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.973 0.416 . . . . 0.0 111.647 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -155.14 133.4 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.157 0.503 . . . . 0.0 109.857 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' N ' HD22 ' A' ' 5' ' ' LEU . 1.9 mm? -115.57 -31.52 5.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.28 -178.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 66.81 30.98 7.64 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.547 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p -100.4 116.64 32.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -67.89 -46.99 70.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.073 0.463 . . . . 0.0 111.434 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.575 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 3.1 p -76.32 -54.6 6.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.911 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m 55.71 48.14 19.02 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.062 0.458 . . . . 0.0 110.751 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.575 ' HG2' ' HB2' ' A' ' 9' ' ' SER . 5.6 mm100 -74.15 42.19 0.15 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.239 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -85.13 -30.72 23.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.573 0.701 . . . . 0.0 110.278 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 p -176.08 127.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.904 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.476 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 74.69 131.83 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.456 0 CA-C-O 121.6 0.714 . . . . 0.0 111.326 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 1.1 Cg_endo -85.13 42.48 1.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 123.566 2.844 . . . . 0.0 112.659 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -172.54 54.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.485 0.66 . . . . 0.0 109.948 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.443 ' CG ' ' H ' ' A' ' 18' ' ' SER . 29.8 t70 -99.35 -136.52 0.3 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.488 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 25.2 m 52.58 50.94 17.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 111.307 179.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD11 ' N ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -59.16 -28.63 66.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.607 -179.406 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.495 ' N ' HD11 ' A' ' 19' ' ' LEU . 87.3 m -110.91 -45.16 3.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.882 0.372 . . . . 0.0 110.452 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' O ' HD12 ' A' ' 25' ' ' LEU . . . -56.33 -50.5 71.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB3' ' O ' ' A' ' 18' ' ' SER . . . -58.94 -38.23 78.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 111.637 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -70.31 -45.08 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.607 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.757 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 62.1 m -73.94 -49.04 26.47 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.681 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 11.2 mp -61.22 -35.27 76.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.465 HG11 ' N ' ' A' ' 27' ' ' LYS . 8.9 p -66.41 -34.21 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.021 -179.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.465 ' N ' HG11 ' A' ' 26' ' ' VAL . 31.5 mmmt -84.09 -57.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.75 40.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.757 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 81.6 m-85 -126.31 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -95.89 -43.11 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.821 0.343 . . . . 0.0 110.629 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.9 107.3 0.21 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.928 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.842 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -80.77 -111.41 0.31 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.182 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -141.75 137.37 31.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 110.688 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 2.6 p -87.99 119.12 28.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.441 ' C ' ' H ' ' A' ' 37' ' ' LYS . 25.0 ttmm -87.22 94.93 9.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 74.8 -42.96 0.51 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.032 0.832 . . . . 0.0 109.584 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.441 ' H ' ' C ' ' A' ' 35' ' ' LYS . 4.8 tppp? -164.9 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 tp -67.14 116.18 6.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 111.04 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.735 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -79.59 109.96 14.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.697 -179.156 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -101.16 115.17 29.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.842 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 97.0 m -81.4 142.18 33.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.329 0.585 . . . . 0.0 112.401 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -153.45 29.72 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.4 1.095 . . . . 0.0 108.556 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -114.71 -144.54 0.39 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.419 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -175.71 154.69 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.681 ' HZ ' ' HG ' ' A' ' 25' ' ' LEU . 17.1 m-85 . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.79 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.1 0.476 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.2 m -73.02 134.82 44.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.8 m 64.53 -159.63 0.29 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.028 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -134.53 128.33 33.09 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.666 0.269 . . . . 0.0 110.478 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.49 HD11 ' N ' ' A' ' 5' ' ' LEU . 11.2 mp -70.49 139.45 51.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.313 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.98 54.38 5.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.996 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.0 m -61.99 -35.06 77.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.392 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.775 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 31.1 t80 -67.87 136.0 53.38 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.405 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -143.36 118.69 10.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.781 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p -97.66 123.48 41.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.363 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -171.91 41.27 0.02 OUTLIER 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.664 0.269 . . . . 0.0 111.311 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 63.72 51.95 2.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.682 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 89.2 t 75.06 128.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.518 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -64.16 142.08 98.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.843 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 7.6 Cg_exo -72.45 -57.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.831 2.354 . . . . 0.0 112.475 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -68.77 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -174.97 138.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.63 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 63.0 p -69.06 -31.62 70.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.469 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.63 ' HG ' ' O ' ' A' ' 18' ' ' SER . 1.1 pp 59.99 -40.05 0.09 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.395 1.878 . . . . 0.0 113.669 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.538 ' SG ' HD13 ' A' ' 19' ' ' LEU . 27.9 p -177.66 48.5 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.426 0.631 . . . . 0.0 110.348 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.775 ' HB2' ' HA ' ' A' ' 8' ' ' PHE . . . -134.39 -70.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.08 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.54 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -61.67 -52.48 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.813 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.437 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 65.4 m-70 -62.34 -40.02 95.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.3 m -67.47 -60.16 2.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.98 -38.11 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -59.06 -40.75 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 118.455 0.571 . . . . 0.0 110.612 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 60.3 mttm -73.58 -50.17 22.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 144.56 40.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.45 -0.881 . . . . 0.0 113.267 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -136.84 131.33 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.494 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -81.94 49.3 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.813 0.816 . . . . 0.0 109.53 178.208 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.18 -135.86 13.7 Favored Glycine 0 N--CA 1.441 -0.968 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.442 ' HA3' ' O ' ' A' ' 40' ' ' HIS . . . 172.67 -151.53 14.43 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.215 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -77.71 144.61 37.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.116 0.484 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 22.6 p -116.05 124.2 49.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.794 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 87.1 tttt -79.99 60.9 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.534 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.465 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 m120 75.73 -33.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.459 0.704 . . . . 0.0 110.746 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.448 ' H ' ' C ' ' A' ' 35' ' ' LYS . 24.2 ttmm -146.82 -57.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.429 HG23 ' NE2' ' A' ' 40' ' ' HIS . 61.8 mt -68.51 119.65 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 1.6 p -103.3 147.15 27.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.442 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 97.4 m-70 -132.77 136.35 46.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -60.78 122.2 14.21 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.198 0.311 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -167.02 44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.692 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -151.14 70.6 0.99 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.25 0.548 . . . . 0.0 109.668 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.558 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 80.8 tttt -66.59 150.7 48.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.04 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -75.47 -49.66 18.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 111.313 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.9 m -81.74 -102.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.109 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 65.52 37.29 6.14 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.14 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.713 HD13 ' HB2' ' A' ' 34' ' ' CYS . 10.5 mp -75.96 130.0 37.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.136 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.68 49.88 1.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.421 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 37' ' ' LYS . 8.7 t -172.29 62.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.046 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.575 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -148.29 -175.02 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.695 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m 64.16 -169.57 0.2 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.327 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m -158.26 145.66 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.579 0.228 . . . . 0.0 110.632 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.21 -41.35 90.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.492 0.663 . . . . 0.0 109.632 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.2 m-90 -82.49 169.02 16.85 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.481 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.78 128.98 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.359 0.599 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.652 HG21 ' HB2' ' A' ' 18' ' ' SER . 29.0 p -73.55 139.74 78.16 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.931 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.29 -37.12 94.71 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.006 2.47 . . . . 0.0 111.925 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.443 ' CG ' ' H ' ' A' ' 17' ' ' ASP . 1.4 t-20 -151.75 -141.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.443 ' H ' ' CG ' ' A' ' 16' ' ' ASN . 41.8 m-20 -77.5 53.77 1.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.179 0.514 . . . . 0.0 110.256 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.683 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 1.7 m -77.28 47.88 0.59 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.525 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -35.17 75.45 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.575 ' HA ' ' HB2' ' A' ' 8' ' ' PHE . 11.8 t -157.95 37.61 0.26 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.373 -1.285 . . . . 0.0 108.522 177.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.459 ' HB2' ' HB2' ' A' ' 24' ' ' CYS . . . -154.07 40.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.325 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.683 ' HA ' ' HB3' ' A' ' 18' ' ' SER . . . -59.97 -58.6 7.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.835 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -66.24 -31.58 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.747 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.658 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 99.3 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 30' ' ' ARG . 24.3 mt -62.51 -36.19 81.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.316 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.4 t -62.18 -43.37 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 110.137 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.43 -54.55 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.639 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.571 ' O ' ' HD3' ' A' ' 44' ' ' LYS . . . 150.77 37.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.611 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.658 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 7.0 m-85 -124.52 129.54 50.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.592 ' HA ' HD22 ' A' ' 25' ' ' LEU . 6.1 ttt-85 -72.65 -38.47 67.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.039 0.447 . . . . 0.0 109.949 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.69 -157.55 18.8 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.666 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.714 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -177.37 -128.71 1.17 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 40' ' ' HIS . 10.1 p90 -129.9 128.61 42.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.713 ' HB2' HD13 ' A' ' 5' ' ' LEU . 17.5 p -88.91 131.05 35.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.938 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -159.49 142.96 14.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.339 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.568 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 78.0 m-20 63.17 -113.88 0.43 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.542 0.526 . . . . 0.0 110.042 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' O ' ' HB3' ' A' ' 7' ' ' SER . 57.1 pttt -135.61 27.67 3.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 111.211 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -147.4 116.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.591 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 34' ' ' CYS . 63.3 m -79.01 100.03 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.544 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . 94.6 m-70 -74.95 104.38 5.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.714 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -74.79 144.9 43.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.295 -179.044 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -156.28 61.5 0.56 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -157.15 71.5 0.66 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.774 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.571 ' HD3' ' O ' ' A' ' 28' ' ' GLY . 5.3 tppp? -64.27 145.41 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.161 179.207 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.685 0.279 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.415 HG22 ' O ' ' A' ' 2' ' ' THR . 7.3 t -168.03 122.31 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.036 0.446 . . . . 0.0 109.99 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.6 m -141.98 -162.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.813 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.497 ' CG ' ' H ' ' A' ' 5' ' ' LEU . 13.8 t70 -169.0 -148.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 3.1 mm? -123.44 -42.04 2.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -171.28 109.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.994 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.2 t -170.47 129.33 0.85 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.602 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 25.7 t80 -65.83 -45.87 80.63 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.683 0.278 . . . . 0.0 110.91 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.429 ' HG ' ' C ' ' A' ' 8' ' ' PHE . 64.7 p 47.46 -118.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.397 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.817 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 24.0 m 64.42 168.47 0.17 Allowed 'General case' 0 CA--C 1.53 0.209 0 O-C-N 123.434 0.459 . . . . 0.0 111.782 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.799 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 21.1 mt-30 61.66 41.83 11.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.501 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -162.74 125.61 2.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.942 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t 60.07 78.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.6 p 56.97 81.39 0.26 Allowed Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.898 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.799 ' HB3' ' HA ' ' A' ' 11' ' ' GLN . 17.4 Cg_exo -66.24 75.91 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 124.377 3.385 . . . . 0.0 112.839 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -79.27 47.54 0.81 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.826 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 72.48 -39.95 0.46 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.814 0.846 . . . . 0.0 113.08 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.566 ' HB3' ' CB ' ' A' ' 22' ' ' ALA . 4.4 p -163.1 107.94 1.09 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.248 0.547 . . . . 0.0 110.757 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.817 ' HG ' ' HA ' ' A' ' 10' ' ' SER . 87.5 mt -59.76 -56.08 26.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.167 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -158.5 58.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.076 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.602 ' CB ' ' HA ' ' A' ' 8' ' ' PHE . . . -159.04 -67.83 0.08 Allowed 'General case' 0 C--O 1.227 -0.1 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.566 ' CB ' ' HB3' ' A' ' 18' ' ' SER . . . -54.61 -38.04 66.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -56.78 -41.19 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 109.613 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.7 m -80.41 -59.22 2.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.339 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 11.1 mp -56.18 -45.94 79.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.21 -42.63 95.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.275 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -68.33 -46.06 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.251 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.52 42.1 0.12 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.583 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -145.01 137.88 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.609 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -80.6 -13.53 58.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.865 0.841 . . . . 0.0 108.769 178.648 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 167.42 -142.24 7.41 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.551 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.32 -80.43 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.748 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 43.8 p90 -162.28 146.91 12.36 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.87 130.46 34.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.748 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 19.1 ttmm -125.8 149.82 48.29 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -49.93 -37.57 32.44 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.535 0.522 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.94 -48.71 23.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 tt -172.39 162.78 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.589 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -64.87 128.48 35.95 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -114.85 117.28 30.27 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 m -72.25 130.77 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.711 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -172.35 46.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.353 0.597 . . . . 0.0 109.795 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -166.23 114.72 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.431 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.34 152.23 41.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.609 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 50.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.67 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.859 ' HB1' ' HA ' ' A' ' 36' ' ' ASN . . . . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.936 0.398 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -169.48 136.59 1.71 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 m -141.47 -143.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.863 0.363 . . . . 0.0 111.174 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -169.37 -174.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.46 HD21 ' N ' ' A' ' 5' ' ' LEU . 3.1 mm? -114.97 -46.86 2.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.02 130.4 8.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.893 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -163.71 -143.95 0.08 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -124.42 -48.81 1.81 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.574 ' HB2' ' HB2' ' A' ' 19' ' ' LEU . 96.5 p 56.44 -177.46 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.285 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.5 m 64.73 171.57 0.2 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.689 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 56.84 33.98 23.99 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.178 0.989 . . . . 0.0 110.012 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.513 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 71.0 t-105 -165.35 73.41 0.2 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 12' ' ' TRP . 70.3 t 82.66 125.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.7 p 55.53 84.12 0.21 Allowed Pre-proline 0 N--CA 1.466 0.343 0 CA-C-O 121.573 0.702 . . . . 0.0 110.069 -176.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.42 60.81 1.1 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 123.9 3.066 . . . . 0.0 114.293 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -83.61 -147.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -112.76 -27.53 8.12 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.18 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.534 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 35.5 p -168.02 100.92 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.104 0.478 . . . . 0.0 111.895 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.574 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 95.4 mt -70.67 -46.35 63.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.844 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.8 m -151.32 60.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.744 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.88 -85.57 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 18' ' ' SER . . . -47.48 -44.3 25.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -176.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -54.85 -41.36 70.68 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.336 0.588 . . . . 0.0 109.902 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.471 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 71.1 m -76.72 -51.76 10.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.794 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -56.44 -46.1 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' ALA . 73.1 t -61.43 -41.5 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.231 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.53 -1.05 35.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.64 10.93 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.471 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 93.6 m-85 -133.87 129.3 36.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.585 ' HD3' ' H ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -95.8 59.29 2.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.18 0.99 . . . . 0.0 108.68 178.003 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -150.09 21.81 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.751 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.04 -66.69 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.025 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.551 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 31.3 p90 -161.04 145.6 13.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 136.49 33.5 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.908 0.385 . . . . 0.0 111.161 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.551 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 22.0 ttmm -124.58 145.35 49.65 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.859 ' HA ' ' HB1' ' A' ' 1' ' ' ALA . 17.6 p-10 -51.56 -35.06 39.48 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.452 0.47 . . . . 0.0 111.302 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -72.28 -51.23 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.229 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.579 HG12 ' H ' ' A' ' 39' ' ' CYS . 9.2 tt -176.05 174.85 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.704 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.579 ' H ' HG12 ' A' ' 38' ' ' ILE . 30.9 m -63.49 146.16 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.507 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -139.28 121.65 16.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.236 0.541 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.92 133.29 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.059 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -172.54 47.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.917 0.865 . . . . 0.0 109.719 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -158.88 93.16 1.15 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.935 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.1 155.78 23.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.928 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.859 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 t -141.12 42.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.991 0.9 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.3 t -177.43 164.06 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.336 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -76.26 118.24 18.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.447 HD23 ' HA3' ' A' ' 31' ' ' GLY . 8.7 mp -101.14 -2.73 30.68 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 53.32 -136.44 1.36 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.571 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.7 p -151.36 -132.59 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -75.41 65.39 1.68 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.277 0.56 . . . . 0.0 110.513 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -65.16 135.72 55.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.771 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.2 t -159.52 148.48 17.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.159 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.45 ' HG2' HD13 ' A' ' 19' ' ' LEU . 99.6 mm-40 -82.51 -131.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.99 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -121.74 -16.29 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.066 0.46 . . . . 0.0 111.268 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.4 HG23 ' N ' ' A' ' 14' ' ' THR . 15.0 p -170.89 144.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.66 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.4 ' N ' HG23 ' A' ' 13' ' ' VAL . 10.0 m 73.51 118.55 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 121.525 0.679 . . . . 0.0 111.694 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -81.96 65.02 8.51 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.334 2.689 . . . . 0.0 111.729 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.95 -46.82 68.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.038 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -166.93 168.03 14.28 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.776 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 66.6 m -62.57 -23.52 67.06 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.565 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.45 HD13 ' HG2' ' A' ' 11' ' ' GLN . 87.1 mt 73.52 -39.24 0.43 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.858 0.724 . . . . 0.0 110.19 -178.695 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 1.018 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . 61.8 m -155.55 -45.53 0.08 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.092 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.693 ' HB2' ' HG ' ' A' ' 25' ' ' LEU . . . -176.15 40.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.776 ' HB1' ' HA ' ' A' ' 18' ' ' SER . . . -58.96 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.475 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -77.52 -21.73 52.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.784 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 75.6 m -61.04 -50.31 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.693 ' HG ' ' HB2' ' A' ' 21' ' ' ALA . 94.8 mt -58.75 -38.68 78.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.623 0.249 . . . . 0.0 111.142 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.16 -49.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.74 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -68.3 -45.3 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.306 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.422 ' O ' ' HD2' ' A' ' 44' ' ' LYS . . . 137.48 37.98 0.15 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.585 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.784 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 6.0 m-85 -124.5 123.13 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.59 ' NH2' ' HA ' ' A' ' 45' ' ' PHE . 8.0 ptp85 -80.87 -32.62 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.092 0.472 . . . . 0.0 111.312 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.463 ' O ' ' HB3' ' A' ' 43' ' ' ASP . . . 169.4 -135.95 3.81 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.519 ' HA3' ' O ' ' A' ' 41' ' ' CYS . . . 171.19 -64.71 0.15 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.199 -1.0 . . . . 0.0 112.468 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -162.43 133.02 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.491 0.662 . . . . 0.0 111.483 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.5 m -85.36 141.6 29.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.587 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 68.4 mttm -150.3 128.33 11.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 62.14 -129.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 25.2 tptp -116.04 32.53 6.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.023 0.915 . . . . 0.0 108.688 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -128.5 123.08 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.457 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 1.018 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 3.2 m -82.29 113.92 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 97.8 m-70 -91.2 137.5 32.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.519 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 25.9 m -77.45 -138.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.433 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 86.2 41.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.016 0.926 . . . . 0.0 110.332 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.463 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 21.4 t70 -153.05 100.12 2.46 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.143 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.422 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 25.4 tptp -70.59 141.48 51.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.708 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.59 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 12.4 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.121 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 25' ' ' LEU . . . -156.23 -92.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -30.64 -55.39 0.2 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -59.27 -48.44 81.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 58.9 m -66.81 -38.44 86.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.669 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 21' ' ' ALA . 75.3 mt -55.94 -31.78 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.838 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -55.06 -50.47 63.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.448 . . . . 0.0 109.998 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -78.07 -39.62 41.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.889 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 120.68 39.41 0.61 Allowed Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.225 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.701 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 1.2 m-85 -114.31 155.65 25.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.21 39.03 1.18 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 165.19 139.45 2.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.619 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.8 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . 179.2 166.86 35.76 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.855 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.427 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 2.1 p90 -64.0 127.83 33.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.244 0.545 . . . . 0.0 110.617 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.956 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 6.6 p -83.47 151.19 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -136.53 119.17 16.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 71.86 -63.14 0.44 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.919 0.762 . . . . 0.0 110.388 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -156.05 -41.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 122.59 0.356 . . . . 0.0 111.026 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.5 mm -83.02 135.22 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.8 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.956 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -85.35 134.76 34.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.177 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -96.44 90.89 5.56 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.8 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 75.9 m -48.91 137.18 13.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.394 -1.275 . . . . 0.0 113.178 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -132.7 32.71 3.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.166 -179.511 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.62 118.4 3.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.19 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 7.4 pttp -95.6 147.25 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.784 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.064 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.415 0.15 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.55 -54.73 42.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.597 0.237 . . . . 0.0 110.708 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 49.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -163.52 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 66.0 m -72.32 -44.1 63.17 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.229 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 25' ' ' LEU . 4.0 mm? -63.36 -27.53 69.37 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.156 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 t -55.28 -48.54 76.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 0.0 110.577 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.39 -53.2 7.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.089 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 149.64 45.31 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.703 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 49.6 m-85 -130.46 133.68 46.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -67.27 -33.13 74.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 41' ' ' CYS . . . 64.89 -144.15 47.68 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.977 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.6 21.07 78.83 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.132 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.598 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . 1.8 m-30 -80.46 80.65 6.87 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 122.457 0.303 . . . . 0.0 111.488 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.2 p -75.91 99.1 4.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.13 0.491 . . . . 0.0 110.062 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -149.84 129.22 12.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 38' ' ' ILE . 42.1 t-20 62.25 35.58 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 68.97 -22.97 0.14 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.649 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' ASN . 50.2 mm -87.77 129.56 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.747 0.308 . . . . 0.0 111.013 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.74 112.4 19.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 39.1 m-70 -90.99 163.45 14.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.507 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 79.7 m -90.63 -104.51 0.1 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 81.0 mtp180 62.9 -177.48 0.14 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 122.957 0.503 . . . . 0.0 111.908 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.42 62.2 1.84 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.536 0.684 . . . . 0.0 109.905 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 54.2 tttm -63.73 150.39 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.227 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.448 178.523 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.7 p . . . . . 0 C--O 1.223 -0.321 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.87 0.97 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 50.5 0.96 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.545 0.688 . . . . 0.0 110.542 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -159.24 -47.66 0.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 72.4 m -73.34 -53.36 10.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.645 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.92 -44.67 92.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.921 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.11 -36.73 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' LYS . 32.3 mmtp -81.09 -20.59 41.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.762 0.315 . . . . 0.0 111.25 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.14 39.57 3.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.177 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.867 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 12.6 m-85 -117.49 136.34 53.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 mtm-85 -85.78 -23.39 27.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 110.116 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 152.04 42.32 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.988 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.74 31.5 0.1 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -73.6 147.43 43.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.538 -0.331 . . . . 0.0 111.046 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 44.4 m -72.63 136.7 45.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 36' ' ' ASN . 0.1 OUTLIER -142.77 117.35 9.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.294 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 35' ' ' LYS . 30.8 t30 74.92 -50.83 0.67 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.02 0.825 . . . . 0.0 109.944 -177.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -171.83 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.844 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mm -90.52 145.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.942 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 3.4 p -71.86 143.84 49.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -125.85 148.94 49.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.355 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.9 m -65.22 -110.87 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.35 -0.841 . . . . 0.0 113.265 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 74.69 144.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.087 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 t0 67.18 86.66 0.13 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.584 0.707 . . . . 0.0 110.811 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 25.3 pttm -73.28 164.7 26.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.816 -179.8 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.3 m . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.33 -50.5 71.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.23 78.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 111.637 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -70.31 -45.08 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.607 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 62.1 m -73.94 -49.04 26.47 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.698 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 11.2 mp -61.22 -35.27 76.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.41 -34.21 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.021 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.09 -57.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.75 40.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.774 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 81.6 m-85 -126.31 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -95.89 -43.11 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.821 0.343 . . . . 0.0 110.629 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.9 107.3 0.21 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.928 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.861 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -80.77 -111.41 0.31 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.182 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -141.75 137.37 31.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 110.688 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 2.6 p -87.99 119.12 28.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 37' ' ' LYS . 25.0 ttmm -87.22 94.93 9.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 62.5 t30 74.8 -42.96 0.51 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.032 0.832 . . . . 0.0 109.584 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 35' ' ' LYS . 4.8 tppp? -164.9 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 tp -67.14 116.18 6.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 111.04 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -79.59 109.96 14.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.697 -179.156 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -101.16 115.17 29.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.861 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 97.0 m -81.4 142.18 33.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.329 0.585 . . . . 0.0 112.401 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -153.45 29.72 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.4 1.095 . . . . 0.0 108.556 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -114.71 -144.54 0.39 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.419 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -175.71 154.69 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.698 ' HZ ' ' HG ' ' A' ' 25' ' ' LEU . 17.1 m-85 . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.79 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 121.426 0.631 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.39 -70.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.08 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.67 -52.48 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.813 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 65.4 m-70 -62.34 -40.02 95.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.3 m -67.47 -60.16 2.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.98 -38.11 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -59.06 -40.75 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 118.455 0.571 . . . . 0.0 110.612 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 60.3 mttm -73.58 -50.17 22.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.572 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 144.56 40.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.45 -0.881 . . . . 0.0 113.267 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -136.84 131.33 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.485 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -81.94 49.3 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.813 0.816 . . . . 0.0 109.53 178.208 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.18 -135.86 13.7 Favored Glycine 0 N--CA 1.441 -0.968 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 40' ' ' HIS . . . 172.67 -151.53 14.43 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.215 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -77.71 144.61 37.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.116 0.484 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 22.6 p -116.05 124.2 49.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.794 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 87.1 tttt -79.99 60.9 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.534 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 m120 75.73 -33.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.459 0.704 . . . . 0.0 110.746 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 35' ' ' LYS . 24.2 ttmm -146.82 -57.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.51 119.65 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 1.6 p -103.3 147.15 27.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.439 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 97.4 m-70 -132.77 136.35 46.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -60.78 122.2 14.21 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.198 0.311 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -167.02 44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.692 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -151.14 70.6 0.99 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.25 0.548 . . . . 0.0 109.668 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 80.8 tttt -66.59 150.7 48.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.04 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 24' ' ' CYS . . . -154.07 40.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.325 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -59.97 -58.6 7.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.835 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -66.24 -31.58 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.747 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 99.3 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.51 -36.19 81.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.316 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 22' ' ' ALA . 82.4 t -62.18 -43.37 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 110.137 178.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.43 -54.55 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.639 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.582 ' O ' ' HD3' ' A' ' 44' ' ' LYS . . . 150.77 37.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.611 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.685 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 7.0 m-85 -124.52 129.54 50.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -72.65 -38.47 67.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.039 0.447 . . . . 0.0 109.949 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.69 -157.55 18.8 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.666 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.739 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -177.37 -128.71 1.17 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 40' ' ' HIS . 10.1 p90 -129.9 128.61 42.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 17.5 p -88.91 131.05 35.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.938 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -159.49 142.96 14.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.339 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 63.17 -113.88 0.43 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.542 0.526 . . . . 0.0 110.042 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -135.61 27.67 3.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 111.211 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -147.4 116.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.591 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 34' ' ' CYS . 63.3 m -79.01 100.03 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . 94.6 m-70 -74.95 104.38 5.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.739 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -74.79 144.9 43.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.295 -179.044 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -156.28 61.5 0.56 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -157.15 71.5 0.66 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.774 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' A' ' 28' ' ' GLY . 5.3 tppp? -64.27 145.41 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.161 179.207 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m . . . . . 0 C--O 1.233 0.194 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.04 -67.83 0.08 Allowed 'General case' 0 C--O 1.227 -0.1 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.04 66.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -56.78 -41.19 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 109.613 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.7 m -80.41 -59.22 2.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.339 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 11.1 mp -56.18 -45.94 79.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.21 -42.63 95.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.275 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -68.33 -46.06 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.251 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.52 42.1 0.12 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.583 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -145.01 137.88 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.639 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -80.6 -13.53 58.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.865 0.841 . . . . 0.0 108.769 178.648 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 167.42 -142.24 7.41 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.551 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.32 -80.43 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.766 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 43.8 p90 -162.28 146.91 12.36 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.87 130.46 34.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.766 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 19.1 ttmm -125.8 149.82 48.29 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -49.93 -37.57 32.44 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.535 0.522 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.94 -48.71 23.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 tt -172.39 162.78 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.589 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -64.87 128.48 35.95 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -114.85 117.28 30.27 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 m -72.25 130.77 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.711 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -172.35 46.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.353 0.597 . . . . 0.0 109.795 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -166.23 114.72 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.431 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.34 152.23 41.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 50.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.67 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.233 0.191 0 N-CA-C 110.744 -0.095 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.88 -85.57 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.48 -44.3 25.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -54.85 -41.36 70.68 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.336 0.588 . . . . 0.0 109.902 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 71.1 m -76.72 -51.76 10.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.794 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -56.44 -46.1 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.43 -41.5 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.53 -1.05 35.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.64 10.93 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.491 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 93.6 m-85 -133.87 129.3 36.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.666 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -95.8 59.29 2.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.18 0.99 . . . . 0.0 108.68 178.003 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -150.09 21.81 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.751 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.04 -66.69 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.025 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.568 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 31.3 p90 -161.04 145.6 13.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 136.49 33.5 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.908 0.385 . . . . 0.0 111.161 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 22.0 ttmm -124.58 145.35 49.65 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -51.56 -35.06 39.48 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.452 0.47 . . . . 0.0 111.302 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 60.8 tttp -72.28 -51.23 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.229 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.593 HG12 ' H ' ' A' ' 39' ' ' CYS . 9.2 tt -176.05 174.85 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.704 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.593 ' H ' HG12 ' A' ' 38' ' ' ILE . 30.9 m -63.49 146.16 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.507 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -139.28 121.65 16.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.236 0.541 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.92 133.29 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.059 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -172.54 47.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.917 0.865 . . . . 0.0 109.719 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -158.88 93.16 1.15 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.935 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.1 155.78 23.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.928 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.859 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 1.025 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . 61.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.786 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -176.15 40.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.96 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.475 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -77.52 -21.73 52.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.806 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 75.6 m -61.04 -50.31 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.786 ' HG ' ' HB1' ' A' ' 21' ' ' ALA . 94.8 mt -58.75 -38.68 78.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.623 0.249 . . . . 0.0 111.142 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.16 -49.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.74 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -68.3 -45.3 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.306 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.442 ' O ' ' HD2' ' A' ' 44' ' ' LYS . . . 137.48 37.98 0.15 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.585 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.806 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 6.0 m-85 -124.5 123.13 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.592 ' NH2' ' HA ' ' A' ' 45' ' ' PHE . 8.0 ptp85 -80.87 -32.62 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.092 0.472 . . . . 0.0 111.312 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 43' ' ' ASP . . . 169.4 -135.95 3.81 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.525 ' HA3' ' O ' ' A' ' 41' ' ' CYS . . . 171.19 -64.71 0.15 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.199 -1.0 . . . . 0.0 112.468 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -162.43 133.02 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.491 0.662 . . . . 0.0 111.483 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.5 m -85.36 141.6 29.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.587 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 68.4 mttm -150.3 128.33 11.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 62.14 -129.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 25.2 tptp -116.04 32.53 6.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.023 0.915 . . . . 0.0 108.688 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -128.5 123.08 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.457 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 1.025 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 3.2 m -82.29 113.92 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 97.8 m-70 -91.2 137.5 32.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.525 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 25.9 m -77.45 -138.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.433 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 86.2 41.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.016 0.926 . . . . 0.0 110.332 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 21.4 t70 -153.05 100.12 2.46 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.143 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.442 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 25.4 tptp -70.59 141.48 51.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.708 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.592 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 12.4 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.121 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.924 0.392 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 p -72.79 140.46 47.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.56 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.0 m -82.01 38.16 0.52 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.947 0.403 . . . . 0.0 110.799 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -97.14 33.55 1.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.616 0.722 . . . . 0.0 109.765 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -140.68 -155.7 0.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.622 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.06 40.35 25.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.456 0.646 . . . . 0.0 110.541 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 m -75.45 65.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.107 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.62 ' HE1' ' HA ' ' A' ' 16' ' ' ASN . 5.3 t80 63.37 -129.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.672 ' HA ' ' O ' ' A' ' 12' ' ' TRP . 14.5 m -92.85 31.82 1.34 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -73.57 -53.89 9.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.297 0.57 . . . . 0.0 109.595 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -135.29 19.72 3.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.434 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.672 ' O ' ' HA ' ' A' ' 9' ' ' SER . 17.7 m95 -142.24 146.91 35.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.736 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.09 39.29 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-O 122.106 0.955 . . . . 0.0 110.56 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -63.79 126.96 90.97 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.97 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -77.81 -44.26 0.18 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.896 2.397 . . . . 0.0 113.576 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.62 ' HA ' ' HE1' ' A' ' 8' ' ' PHE . 42.9 t30 -167.52 -35.06 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.57 124.63 9.83 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.11 0.481 . . . . 0.0 109.86 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.805 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 27.2 p -59.25 -72.78 0.09 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.05 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt 71.11 -42.95 0.55 Allowed 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.031 0.832 . . . . 0.0 110.2 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.47 ' H ' ' C ' ' A' ' 18' ' ' SER . 5.7 t -174.13 45.16 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.614 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 25' ' ' LEU . . . -156.23 -92.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.805 ' HB3' ' HB3' ' A' ' 18' ' ' SER . . . -30.64 -55.39 0.2 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -59.27 -48.44 81.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 58.9 m -66.81 -38.44 86.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.669 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 21' ' ' ALA . 75.3 mt -55.94 -31.78 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.838 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -55.06 -50.47 63.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.448 . . . . 0.0 109.998 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -78.07 -39.62 41.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.889 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 120.68 39.41 0.61 Allowed Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.225 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.701 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 1.2 m-85 -114.31 155.65 25.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.21 39.03 1.18 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 165.19 139.45 2.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.619 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.8 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . 179.2 166.86 35.76 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.855 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.427 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 2.1 p90 -64.0 127.83 33.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.244 0.545 . . . . 0.0 110.617 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.956 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 6.6 p -83.47 151.19 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -136.53 119.17 16.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 71.86 -63.14 0.44 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.919 0.762 . . . . 0.0 110.388 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -156.05 -41.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 122.59 0.356 . . . . 0.0 111.026 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.5 mm -83.02 135.22 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.8 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.956 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -85.35 134.76 34.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.177 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -96.44 90.89 5.56 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.8 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 75.9 m -48.91 137.18 13.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.394 -1.275 . . . . 0.0 113.178 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -132.7 32.71 3.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.166 -179.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.62 118.4 3.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.19 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 7.4 pttp -95.6 147.25 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.784 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.064 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.669 0.271 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.7 p -128.35 -129.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.297 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 34' ' ' CYS . 60.2 m 68.16 2.08 3.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.0 0.52 . . . . 0.0 112.13 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t0 64.97 151.04 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.767 0.794 . . . . 0.0 111.377 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 5' ' ' LEU . 3.9 tt -82.24 -23.07 35.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.56 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . . . 67.77 45.51 1.43 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.105 -1.407 . . . . 0.0 110.37 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -124.89 140.98 52.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.662 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 25' ' ' LEU . 45.4 m-85 -72.94 -56.34 5.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.922 0.868 . . . . 0.0 109.077 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.442 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . 5.0 p -173.92 48.31 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.993 -1.458 . . . . 0.0 109.503 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -62.26 -54.2 44.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.6 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -87.87 -38.11 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.248 0.547 . . . . 0.0 111.227 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.5 ' CD1' HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -162.91 148.76 12.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.901 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 19.4 t -76.72 79.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.147 0.499 . . . . 0.0 110.187 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.5 HG23 ' CD1' ' A' ' 12' ' ' TRP . 1.7 p -76.49 125.13 87.87 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.0 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.32 -34.83 33.93 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.518 2.146 . . . . 0.0 109.675 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -109.93 -147.96 0.42 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.388 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 69.25 -67.36 0.22 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.173 0.589 . . . . 0.0 111.741 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 p -77.54 56.54 1.44 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.054 0.455 . . . . 0.0 110.627 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.0 mt -55.99 -49.22 74.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.856 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.76 -34.49 11.31 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.671 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . . . -56.55 -54.73 42.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.597 0.237 . . . . 0.0 110.708 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 49.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -163.52 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 66.0 m -72.32 -44.1 63.17 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.229 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 4.0 mm? -63.36 -27.53 69.37 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.156 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 t -55.28 -48.54 76.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 0.0 110.577 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.39 -53.2 7.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.089 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 149.64 45.31 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.703 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 49.6 m-85 -130.46 133.68 46.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -67.27 -33.13 74.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 41' ' ' CYS . . . 64.89 -144.15 47.68 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.977 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.6 21.07 78.83 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.132 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.598 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . 1.8 m-30 -80.46 80.65 6.87 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 122.457 0.303 . . . . 0.0 111.488 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 3.2 p -75.91 99.1 4.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.13 0.491 . . . . 0.0 110.062 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -149.84 129.22 12.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 38' ' ' ILE . 42.1 t-20 62.25 35.58 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -178.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 68.97 -22.97 0.14 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.649 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' ASN . 50.2 mm -87.77 129.56 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.747 0.308 . . . . 0.0 111.013 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.74 112.4 19.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 39.1 m-70 -90.99 163.45 14.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 79.7 m -90.63 -104.51 0.1 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 81.0 mtp180 62.9 -177.48 0.14 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 122.957 0.503 . . . . 0.0 111.908 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.42 62.2 1.84 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.536 0.684 . . . . 0.0 109.905 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 54.2 tttm -63.73 150.39 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.227 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.448 178.523 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 p 48.26 44.06 19.44 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.168 0.587 . . . . 0.0 112.123 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 m -82.59 -33.41 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.481 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -64.27 131.07 46.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.033 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 mt -85.12 -15.78 42.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.035 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.91 25.19 13.9 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.698 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 m -83.51 52.48 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.563 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.04 137.33 48.9 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m 70.27 159.84 0.2 Allowed 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.757 0.661 . . . . 0.0 111.256 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 m -71.68 78.96 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.223 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -77.3 -127.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.896 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -113.47 134.89 54.42 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.335 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t 67.12 126.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 123.935 0.772 . . . . 0.0 111.997 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 17' ' ' ASP . 20.7 p 49.64 78.94 0.37 Allowed Pre-proline 0 N--CA 1.468 0.45 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.341 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.93 -30.87 25.58 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.971 2.447 . . . . 0.0 112.906 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -99.06 25.36 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.103 0.477 . . . . 0.0 111.098 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 10.8 t70 -121.87 128.82 52.03 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.696 ' HB2' ' H ' ' A' ' 22' ' ' ALA . 79.6 p -165.68 -26.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.779 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.644 HD22 HD12 ' A' ' 38' ' ' ILE . 85.9 mt 78.41 -37.61 0.22 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.062 0.851 . . . . 0.0 110.239 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.7 p -163.59 -37.23 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.559 179.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.87 0.97 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.696 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -78.48 50.5 0.96 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.545 0.688 . . . . 0.0 110.542 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -159.24 -47.66 0.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 72.4 m -73.34 -53.36 10.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.645 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.92 -44.67 92.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.921 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.11 -36.73 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' LYS . 32.3 mmtp -81.09 -20.59 41.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.762 0.315 . . . . 0.0 111.25 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.14 39.57 3.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.177 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.867 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 12.6 m-85 -117.49 136.34 53.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 mtm-85 -85.78 -23.39 27.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 110.116 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 152.04 42.32 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.988 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.74 31.5 0.1 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -73.6 147.43 43.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.538 -0.331 . . . . 0.0 111.046 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 44.4 m -72.63 136.7 45.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.456 ' O ' ' HB3' ' A' ' 36' ' ' ASN . 0.1 OUTLIER -142.77 117.35 9.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.294 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 35' ' ' LYS . 30.8 t30 74.92 -50.83 0.67 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.02 0.825 . . . . 0.0 109.944 -177.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -171.83 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.844 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.644 HD12 HD22 ' A' ' 19' ' ' LEU . 47.5 mm -90.52 145.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.942 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 3.4 p -71.86 143.84 49.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -125.85 148.94 49.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.355 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.9 m -65.22 -110.87 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.35 -0.841 . . . . 0.0 113.265 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 74.69 144.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.087 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 t0 67.18 86.66 0.13 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.584 0.707 . . . . 0.0 110.811 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 25.3 pttm -73.28 164.7 26.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.816 -179.8 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.9 m -160.64 132.95 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -146.82 37.68 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.973 0.416 . . . . 0.0 111.647 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -155.14 133.4 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.157 0.503 . . . . 0.0 109.857 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -115.57 -31.52 5.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.28 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.565 ' HB2' ' HD3' ' A' ' 30' ' ' ARG . . . 66.81 30.98 7.64 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.547 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p -100.4 116.64 32.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -67.89 -46.99 70.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.073 0.463 . . . . 0.0 111.434 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.593 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 3.1 p -76.32 -54.6 6.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.911 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m 55.71 48.14 19.02 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.062 0.458 . . . . 0.0 110.751 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.593 ' HG2' ' HB2' ' A' ' 9' ' ' SER . 63.2 mm-40 -74.15 42.19 0.15 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.239 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -85.13 -30.72 23.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.573 0.701 . . . . 0.0 110.278 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 p -176.08 127.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.904 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.532 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 74.69 131.83 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.456 0 CA-C-O 121.6 0.714 . . . . 0.0 111.326 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 1.1 Cg_endo -85.13 42.48 1.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 123.566 2.844 . . . . 0.0 112.659 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -172.54 54.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.485 0.66 . . . . 0.0 109.948 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 18' ' ' SER . 29.8 t70 -99.35 -136.52 0.3 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.424 ' H ' ' CG ' ' A' ' 17' ' ' ASP . 25.2 m 52.58 50.94 17.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 111.307 179.153 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -59.16 -28.63 66.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.607 -179.406 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.455 ' N ' HD12 ' A' ' 19' ' ' LEU . 87.3 m -110.91 -45.16 3.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.882 0.372 . . . . 0.0 110.452 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.33 -50.5 71.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' H ' ' HB3' ' A' ' 18' ' ' SER . . . -58.94 -38.23 78.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 111.637 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -70.31 -45.08 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.607 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 62.1 m -73.94 -49.04 26.47 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.698 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 11.2 mp -61.22 -35.27 76.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.41 -34.21 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.021 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.09 -57.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.75 40.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.774 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 81.6 m-85 -126.31 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HD3' ' HB2' ' A' ' 6' ' ' ALA . 3.2 tpp85 -95.89 -43.11 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.821 0.343 . . . . 0.0 110.629 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.9 107.3 0.21 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.928 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.861 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -80.77 -111.41 0.31 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.182 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -141.75 137.37 31.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 110.688 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 2.6 p -87.99 119.12 28.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 37' ' ' LYS . 25.0 ttmm -87.22 94.93 9.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 62.5 t30 74.8 -42.96 0.51 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.032 0.832 . . . . 0.0 109.584 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 35' ' ' LYS . 4.8 tppp? -164.9 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 tp -67.14 116.18 6.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 111.04 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -79.59 109.96 14.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.697 -179.156 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -101.16 115.17 29.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.861 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 97.0 m -81.4 142.18 33.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.329 0.585 . . . . 0.0 112.401 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -153.45 29.72 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.4 1.095 . . . . 0.0 108.556 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -114.71 -144.54 0.39 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.419 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -175.71 154.69 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.698 ' HZ ' ' HG ' ' A' ' 25' ' ' LEU . 17.1 m-85 . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.79 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.1 0.476 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.2 m -73.02 134.82 44.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.8 m 64.53 -159.63 0.29 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.028 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -134.53 128.33 33.09 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.666 0.269 . . . . 0.0 110.478 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp -70.49 139.45 51.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.313 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.98 54.38 5.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.996 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.0 m -61.99 -35.06 77.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.392 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.653 ' HD1' ' HB1' ' A' ' 21' ' ' ALA . 31.1 t80 -67.87 136.0 53.38 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.405 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -143.36 118.69 10.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.781 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p -97.66 123.48 41.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.363 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -171.91 41.27 0.02 OUTLIER 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.664 0.269 . . . . 0.0 111.311 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.408 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 1.7 m-90 63.72 51.95 2.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.682 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 12' ' ' TRP . 89.2 t 75.06 128.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.458 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -64.16 142.08 98.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.843 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 7.6 Cg_exo -72.45 -57.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.831 2.354 . . . . 0.0 112.475 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -68.77 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -174.97 138.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.647 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 63.0 p -69.06 -31.62 70.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.469 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 18' ' ' SER . 1.1 pp 59.99 -40.05 0.09 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.395 1.878 . . . . 0.0 113.669 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.463 ' SG ' HD12 ' A' ' 19' ' ' LEU . 27.9 p -177.66 48.5 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.426 0.631 . . . . 0.0 110.348 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HB1' ' HD1' ' A' ' 8' ' ' PHE . . . -134.39 -70.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.08 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.61 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -61.67 -52.48 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.813 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 65.4 m-70 -62.34 -40.02 95.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.3 m -67.47 -60.16 2.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.98 -38.11 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -59.06 -40.75 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 118.455 0.571 . . . . 0.0 110.612 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 60.3 mttm -73.58 -50.17 22.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.572 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 144.56 40.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.45 -0.881 . . . . 0.0 113.267 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -136.84 131.33 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.485 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -81.94 49.3 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.813 0.816 . . . . 0.0 109.53 178.208 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.18 -135.86 13.7 Favored Glycine 0 N--CA 1.441 -0.968 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 40' ' ' HIS . . . 172.67 -151.53 14.43 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.215 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -77.71 144.61 37.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.116 0.484 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 22.6 p -116.05 124.2 49.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.794 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 87.1 tttt -79.99 60.9 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.534 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 m120 75.73 -33.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.459 0.704 . . . . 0.0 110.746 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 35' ' ' LYS . 24.2 ttmm -146.82 -57.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.51 119.65 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 1.6 p -103.3 147.15 27.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.439 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 97.4 m-70 -132.77 136.35 46.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -60.78 122.2 14.21 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.198 0.311 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -167.02 44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.692 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -151.14 70.6 0.99 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.25 0.548 . . . . 0.0 109.668 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 80.8 tttt -66.59 150.7 48.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.04 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -75.47 -49.66 18.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 111.313 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.9 m -81.74 -102.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.109 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 65.52 37.29 6.14 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.14 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 36' ' ' ASN . 10.5 mp -75.96 130.0 37.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.136 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.68 49.88 1.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.421 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.497 ' HB3' ' O ' ' A' ' 37' ' ' LYS . 8.7 t -172.29 62.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.046 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.631 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -148.29 -175.02 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.695 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m 64.16 -169.57 0.2 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.327 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m -158.26 145.66 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.579 0.228 . . . . 0.0 110.632 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 61.9 tt0 -66.21 -41.35 90.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.492 0.663 . . . . 0.0 109.632 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.2 m-90 -82.49 169.02 16.85 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.481 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.78 128.98 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.359 0.599 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.0 p -73.55 139.74 78.16 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.931 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.29 -37.12 94.71 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.006 2.47 . . . . 0.0 111.925 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.834 ' HB3' HD13 ' A' ' 25' ' ' LEU . 59.5 t30 -151.75 -141.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' H ' ' CG ' ' A' ' 16' ' ' ASN . 41.8 m-20 -77.5 53.77 1.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.179 0.514 . . . . 0.0 110.256 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.669 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 1.7 m -77.28 47.88 0.59 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.525 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -35.17 75.45 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.631 ' HA ' ' HB2' ' A' ' 8' ' ' PHE . 11.8 t -157.95 37.61 0.26 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.373 -1.285 . . . . 0.0 108.522 177.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 24' ' ' CYS . . . -154.07 40.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.325 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.669 ' HA ' ' HB3' ' A' ' 18' ' ' SER . . . -59.97 -58.6 7.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.835 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -66.24 -31.58 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.747 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 99.3 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 16' ' ' ASN . 24.3 mt -62.51 -36.19 81.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.316 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 22' ' ' ALA . 82.4 t -62.18 -43.37 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 110.137 178.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.43 -54.55 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.639 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.582 ' O ' ' HD3' ' A' ' 44' ' ' LYS . . . 150.77 37.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.611 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.685 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 7.0 m-85 -124.52 129.54 50.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -72.65 -38.47 67.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.039 0.447 . . . . 0.0 109.949 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.69 -157.55 18.8 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.666 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.739 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -177.37 -128.71 1.17 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 40' ' ' HIS . 10.1 p90 -129.9 128.61 42.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 17.5 p -88.91 131.05 35.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.938 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -159.49 142.96 14.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.339 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.577 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 78.0 m-20 63.17 -113.88 0.43 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.542 0.526 . . . . 0.0 110.042 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 7' ' ' SER . 57.1 pttt -135.61 27.67 3.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 111.211 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -147.4 116.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.591 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.572 ' SG ' HD22 ' A' ' 5' ' ' LEU . 63.3 m -79.01 100.03 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . 94.6 m-70 -74.95 104.38 5.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.739 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -74.79 144.9 43.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.295 -179.044 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -156.28 61.5 0.56 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -157.15 71.5 0.66 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.774 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' A' ' 28' ' ' GLY . 5.3 tppp? -64.27 145.41 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.161 179.207 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.685 0.279 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t -168.03 122.31 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.036 0.446 . . . . 0.0 109.99 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.6 m -141.98 -162.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.813 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' A' ' 5' ' ' LEU . 13.8 t70 -169.0 -148.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 3.1 mm? -123.44 -42.04 2.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -171.28 109.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.994 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.2 t -170.47 129.33 0.85 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.62 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 25.7 t80 -65.83 -45.87 80.63 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.683 0.278 . . . . 0.0 110.91 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.7 p 47.46 -118.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.397 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.807 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 24.0 m 64.42 168.47 0.17 Allowed 'General case' 0 CA--C 1.53 0.209 0 O-C-N 123.434 0.459 . . . . 0.0 111.782 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.805 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 73.4 mt-30 61.66 41.83 11.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.501 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -162.74 125.61 2.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.942 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t 60.07 78.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.6 p 56.97 81.39 0.26 Allowed Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.898 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.805 ' HB3' ' HA ' ' A' ' 11' ' ' GLN . 17.4 Cg_exo -66.24 75.91 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 124.377 3.385 . . . . 0.0 112.839 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -79.27 47.54 0.81 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.826 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 72.48 -39.95 0.46 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.814 0.846 . . . . 0.0 113.08 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 1.002 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 4.4 p -163.1 107.94 1.09 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.248 0.547 . . . . 0.0 110.757 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.807 ' HG ' ' HA ' ' A' ' 10' ' ' SER . 87.5 mt -59.76 -56.08 26.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.167 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -158.5 58.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.076 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' CB ' ' HA ' ' A' ' 8' ' ' PHE . . . -159.04 -67.83 0.08 Allowed 'General case' 0 C--O 1.227 -0.1 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 1.002 ' HB3' ' HB3' ' A' ' 18' ' ' SER . . . -54.61 -38.04 66.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -56.78 -41.19 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 109.613 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.7 m -80.41 -59.22 2.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.339 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 11.1 mp -56.18 -45.94 79.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.21 -42.63 95.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.275 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -68.33 -46.06 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.251 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.52 42.1 0.12 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.583 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -145.01 137.88 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.639 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -80.6 -13.53 58.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.865 0.841 . . . . 0.0 108.769 178.648 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 167.42 -142.24 7.41 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.551 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.32 -80.43 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.766 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 43.8 p90 -162.28 146.91 12.36 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.87 130.46 34.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.766 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 19.1 ttmm -125.8 149.82 48.29 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -49.93 -37.57 32.44 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.535 0.522 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.94 -48.71 23.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 tt -172.39 162.78 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.589 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -64.87 128.48 35.95 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -114.85 117.28 30.27 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 m -72.25 130.77 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.711 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -172.35 46.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.353 0.597 . . . . 0.0 109.795 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -166.23 114.72 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.431 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.34 152.23 41.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 50.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.67 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 36' ' ' ASN . . . . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.936 0.398 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -169.48 136.59 1.71 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 m -141.47 -143.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.863 0.363 . . . . 0.0 111.174 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -169.37 -174.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.97 -46.86 2.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.02 130.4 8.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.893 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -163.71 -143.95 0.08 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -124.42 -48.81 1.81 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.584 ' HB2' ' HB2' ' A' ' 19' ' ' LEU . 96.5 p 56.44 -177.46 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.285 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.404 ' H ' HD12 ' A' ' 19' ' ' LEU . 49.5 m 64.73 171.57 0.2 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.689 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 56.84 33.98 23.99 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.178 0.989 . . . . 0.0 110.012 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.52 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 71.0 t-105 -165.35 73.41 0.2 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.52 ' HB ' ' O ' ' A' ' 12' ' ' TRP . 70.3 t 82.66 125.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.7 p 55.53 84.12 0.21 Allowed Pre-proline 0 N--CA 1.466 0.343 0 CA-C-O 121.573 0.702 . . . . 0.0 110.069 -176.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.42 60.81 1.1 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 123.9 3.066 . . . . 0.0 114.293 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -83.61 -147.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -112.76 -27.53 8.12 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.18 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.925 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 35.5 p -168.02 100.92 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.104 0.478 . . . . 0.0 111.895 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 95.4 mt -70.67 -46.35 63.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.844 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.8 m -151.32 60.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.744 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.88 -85.57 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.925 ' HB3' ' HB3' ' A' ' 18' ' ' SER . . . -47.48 -44.3 25.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -176.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -54.85 -41.36 70.68 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.336 0.588 . . . . 0.0 109.902 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 71.1 m -76.72 -51.76 10.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.794 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -56.44 -46.1 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.43 -41.5 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.53 -1.05 35.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.64 10.93 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.491 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 93.6 m-85 -133.87 129.3 36.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.666 ' H ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -95.8 59.29 2.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.18 0.99 . . . . 0.0 108.68 178.003 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -150.09 21.81 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.751 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.04 -66.69 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.025 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.568 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 31.3 p90 -161.04 145.6 13.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 136.49 33.5 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.908 0.385 . . . . 0.0 111.161 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 22.0 ttmm -124.58 145.35 49.65 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 1' ' ' ALA . 17.6 p-10 -51.56 -35.06 39.48 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.452 0.47 . . . . 0.0 111.302 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 60.8 tttp -72.28 -51.23 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.229 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.593 HG12 ' H ' ' A' ' 39' ' ' CYS . 9.2 tt -176.05 174.85 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.704 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.593 ' H ' HG12 ' A' ' 38' ' ' ILE . 30.9 m -63.49 146.16 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.507 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -139.28 121.65 16.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.236 0.541 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.92 133.29 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.059 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -172.54 47.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.917 0.865 . . . . 0.0 109.719 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -158.88 93.16 1.15 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.935 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.1 155.78 23.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.928 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.859 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 t -141.12 42.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.991 0.9 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.3 t -177.43 164.06 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.336 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -76.26 118.24 18.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mp -101.14 -2.73 30.68 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 53.32 -136.44 1.36 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.571 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.7 p -151.36 -132.59 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -75.41 65.39 1.68 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.277 0.56 . . . . 0.0 110.513 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 25.1 m -65.16 135.72 55.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.771 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.2 t -159.52 148.48 17.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.159 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' HG2' HD11 ' A' ' 19' ' ' LEU . 29.9 mm100 -82.51 -131.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.99 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -121.74 -16.29 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.066 0.46 . . . . 0.0 111.268 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 p -170.89 144.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.66 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 m 73.51 118.55 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 121.525 0.679 . . . . 0.0 111.694 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -81.96 65.02 8.51 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.334 2.689 . . . . 0.0 111.729 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.95 -46.82 68.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.038 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -166.93 168.03 14.28 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.673 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 66.6 m -62.57 -23.52 67.06 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.565 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD11 ' HG2' ' A' ' 11' ' ' GLN . 87.1 mt 73.52 -39.24 0.43 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.858 0.724 . . . . 0.0 110.19 -178.695 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 1.025 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . 61.8 m -155.55 -45.53 0.08 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.092 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.786 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -176.15 40.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' A' ' 18' ' ' SER . . . -58.96 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.475 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -77.52 -21.73 52.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.806 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 75.6 m -61.04 -50.31 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.786 ' HG ' ' HB1' ' A' ' 21' ' ' ALA . 94.8 mt -58.75 -38.68 78.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.623 0.249 . . . . 0.0 111.142 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.16 -49.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.74 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -68.3 -45.3 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.306 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.442 ' O ' ' HD2' ' A' ' 44' ' ' LYS . . . 137.48 37.98 0.15 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.585 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.806 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 6.0 m-85 -124.5 123.13 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.592 ' NH2' ' HA ' ' A' ' 45' ' ' PHE . 8.0 ptp85 -80.87 -32.62 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.092 0.472 . . . . 0.0 111.312 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 43' ' ' ASP . . . 169.4 -135.95 3.81 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.525 ' HA3' ' O ' ' A' ' 41' ' ' CYS . . . 171.19 -64.71 0.15 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.199 -1.0 . . . . 0.0 112.468 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -162.43 133.02 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.491 0.662 . . . . 0.0 111.483 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.5 m -85.36 141.6 29.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.587 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 68.4 mttm -150.3 128.33 11.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 62.14 -129.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 25.2 tptp -116.04 32.53 6.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.023 0.915 . . . . 0.0 108.688 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -128.5 123.08 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.457 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 1.025 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 3.2 m -82.29 113.92 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 97.8 m-70 -91.2 137.5 32.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.525 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 25.9 m -77.45 -138.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.433 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 86.2 41.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.016 0.926 . . . . 0.0 110.332 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 21.4 t70 -153.05 100.12 2.46 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.143 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.442 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 25.4 tptp -70.59 141.48 51.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.708 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.592 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 12.4 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.121 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.449 -0.521 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 25' ' ' LEU . . . -156.23 -92.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -30.64 -55.39 0.2 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -59.27 -48.44 81.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 58.9 m -66.81 -38.44 86.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.669 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 21' ' ' ALA . 75.3 mt -55.94 -31.78 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.838 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -55.06 -50.47 63.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.448 . . . . 0.0 109.998 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -78.07 -39.62 41.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.889 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 120.68 39.41 0.61 Allowed Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.225 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.701 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 1.2 m-85 -114.31 155.65 25.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.21 39.03 1.18 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 165.19 139.45 2.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.619 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.8 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . 179.2 166.86 35.76 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.855 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.427 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 2.1 p90 -64.0 127.83 33.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.244 0.545 . . . . 0.0 110.617 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.956 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 6.6 p -83.47 151.19 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -136.53 119.17 16.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 71.86 -63.14 0.44 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.919 0.762 . . . . 0.0 110.388 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -156.05 -41.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 122.59 0.356 . . . . 0.0 111.026 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.5 mm -83.02 135.22 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.8 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.956 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -85.35 134.76 34.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.177 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -96.44 90.89 5.56 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.8 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 75.9 m -48.91 137.18 13.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.394 -1.275 . . . . 0.0 113.178 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.467 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -132.7 32.71 3.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.166 -179.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.62 118.4 3.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.19 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 7.4 pttp -95.6 147.25 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.784 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.064 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.415 0.15 . . . . 0.0 110.671 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.55 -54.73 42.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.597 0.237 . . . . 0.0 110.708 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 49.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -163.52 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 66.0 m -72.32 -44.1 63.17 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.229 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 25' ' ' LEU . 4.0 mm? -63.36 -27.53 69.37 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.156 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 t -55.28 -48.54 76.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 0.0 110.577 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.39 -53.2 7.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.089 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 149.64 45.31 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.703 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.448 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 49.6 m-85 -130.46 133.68 46.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -67.27 -33.13 74.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 41' ' ' CYS . . . 64.89 -144.15 47.68 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.977 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.6 21.07 78.83 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.132 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.598 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . 1.8 m-30 -80.46 80.65 6.87 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 122.457 0.303 . . . . 0.0 111.488 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.2 p -75.91 99.1 4.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.13 0.491 . . . . 0.0 110.062 178.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -149.84 129.22 12.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 38' ' ' ILE . 0.7 OUTLIER 62.25 35.58 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -178.095 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 68.97 -22.97 0.14 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.649 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' ASN . 50.2 mm -87.77 129.56 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.747 0.308 . . . . 0.0 111.013 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.74 112.4 19.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 39.1 m-70 -90.99 163.45 14.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.507 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 79.7 m -90.63 -104.51 0.1 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 81.0 mtp180 62.9 -177.48 0.14 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 122.957 0.503 . . . . 0.0 111.908 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.42 62.2 1.84 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.536 0.684 . . . . 0.0 109.905 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 54.2 tttm -63.73 150.39 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.227 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.448 178.523 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.7 p . . . . . 0 C--O 1.223 -0.321 0 N-CA-C 111.559 0.207 . . . . 0.0 111.559 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.87 0.97 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.48 50.5 0.96 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.545 0.688 . . . . 0.0 110.542 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -159.24 -47.66 0.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 72.4 m -73.34 -53.36 10.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.645 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.92 -44.67 92.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.921 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.11 -36.73 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' LYS . 32.3 mmtp -81.09 -20.59 41.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.762 0.315 . . . . 0.0 111.25 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.14 39.57 3.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.177 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.867 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 12.6 m-85 -117.49 136.34 53.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 mtm-85 -85.78 -23.39 27.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 110.116 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 152.04 42.32 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.988 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.74 31.5 0.1 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -73.6 147.43 43.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.538 -0.331 . . . . 0.0 111.046 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 44.4 m -72.63 136.7 45.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.779 ' HB3' ' HD2' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -142.77 117.35 9.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 35' ' ' LYS . 30.8 t30 74.92 -50.83 0.67 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.02 0.825 . . . . 0.0 109.944 -177.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -171.83 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.844 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 47.5 mm -90.52 145.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.942 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 3.4 p -71.86 143.84 49.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.779 ' HD2' ' HB3' ' A' ' 35' ' ' LYS . 78.3 m-70 -125.85 148.94 49.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.355 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.9 m -65.22 -110.87 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.35 -0.841 . . . . 0.0 113.265 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 74.69 144.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.087 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 t0 67.18 86.66 0.13 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.584 0.707 . . . . 0.0 110.811 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 25.3 pttm -73.28 164.7 26.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.816 -179.8 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 87.3 m . . . . . 0 N--CA 1.454 -0.235 0 CA-C-O 120.882 0.372 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.33 -50.5 71.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.94 -38.23 78.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 111.637 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -70.31 -45.08 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.607 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 62.1 m -73.94 -49.04 26.47 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.698 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 11.2 mp -61.22 -35.27 76.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.41 -34.21 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.021 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.09 -57.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.75 40.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.774 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 81.6 m-85 -126.31 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.2 tpp85 -95.89 -43.11 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.821 0.343 . . . . 0.0 110.629 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.9 107.3 0.21 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.928 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.861 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -80.77 -111.41 0.31 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.182 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -141.75 137.37 31.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 110.688 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 2.6 p -87.99 119.12 28.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 37' ' ' LYS . 25.0 ttmm -87.22 94.93 9.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 74.8 -42.96 0.51 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.032 0.832 . . . . 0.0 109.584 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 35' ' ' LYS . 4.8 tppp? -164.9 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 tp -67.14 116.18 6.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 111.04 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -79.59 109.96 14.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.697 -179.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -101.16 115.17 29.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.861 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 97.0 m -81.4 142.18 33.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.329 0.585 . . . . 0.0 112.401 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -153.45 29.72 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.4 1.095 . . . . 0.0 108.556 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -114.71 -144.54 0.39 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.419 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -175.71 154.69 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.698 ' HZ ' ' HG ' ' A' ' 25' ' ' LEU . 17.1 m-85 . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.79 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 27.9 p . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 121.426 0.631 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.39 -70.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.08 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.67 -52.48 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.813 -179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 65.4 m-70 -62.34 -40.02 95.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.3 m -67.47 -60.16 2.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.98 -38.11 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -59.06 -40.75 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 118.455 0.571 . . . . 0.0 110.612 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 60.3 mttm -73.58 -50.17 22.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.572 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 144.56 40.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.45 -0.881 . . . . 0.0 113.267 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -136.84 131.33 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.485 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -81.94 49.3 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.813 0.816 . . . . 0.0 109.53 178.208 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.18 -135.86 13.7 Favored Glycine 0 N--CA 1.441 -0.968 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 40' ' ' HIS . . . 172.67 -151.53 14.43 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.215 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -77.71 144.61 37.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.116 0.484 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 22.6 p -116.05 124.2 49.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.794 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 87.1 tttt -79.99 60.9 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.534 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 m120 75.73 -33.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.459 0.704 . . . . 0.0 110.746 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 35' ' ' LYS . 24.2 ttmm -146.82 -57.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.51 119.65 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 1.6 p -103.3 147.15 27.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.439 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 97.4 m-70 -132.77 136.35 46.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -60.78 122.2 14.21 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.198 0.311 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -167.02 44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.692 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -151.14 70.6 0.99 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.25 0.548 . . . . 0.0 109.668 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 80.8 tttt -66.59 150.7 48.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.04 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 11.8 t . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 24' ' ' CYS . . . -154.07 40.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.325 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.496 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -59.97 -58.6 7.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.835 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -66.24 -31.58 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.747 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 99.3 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 24.3 mt -62.51 -36.19 81.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.316 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 22' ' ' ALA . 82.4 t -62.18 -43.37 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 110.137 178.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.43 -54.55 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.639 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.582 ' O ' ' HD3' ' A' ' 44' ' ' LYS . . . 150.77 37.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.611 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.685 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 7.0 m-85 -124.52 129.54 50.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -72.65 -38.47 67.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.039 0.447 . . . . 0.0 109.949 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.69 -157.55 18.8 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.666 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.739 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -177.37 -128.71 1.17 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 40' ' ' HIS . 10.1 p90 -129.9 128.61 42.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 17.5 p -88.91 131.05 35.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.938 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -159.49 142.96 14.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.339 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 63.17 -113.88 0.43 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.542 0.526 . . . . 0.0 110.042 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -135.61 27.67 3.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 111.211 179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -147.4 116.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.591 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 34' ' ' CYS . 63.3 m -79.01 100.03 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . 94.6 m-70 -74.95 104.38 5.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.739 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -74.79 144.9 43.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.295 -179.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -156.28 61.5 0.56 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -157.15 71.5 0.66 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.774 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' A' ' 28' ' ' GLY . 5.3 tppp? -64.27 145.41 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.161 179.207 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m . . . . . 0 C--O 1.233 0.194 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.04 -67.83 0.08 Allowed 'General case' 0 C--O 1.227 -0.1 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.61 -38.04 66.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -56.78 -41.19 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 109.613 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.7 m -80.41 -59.22 2.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.339 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 11.1 mp -56.18 -45.94 79.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.21 -42.63 95.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.275 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -68.33 -46.06 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.251 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.52 42.1 0.12 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.583 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -145.01 137.88 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.639 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -80.6 -13.53 58.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.865 0.841 . . . . 0.0 108.769 178.648 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 167.42 -142.24 7.41 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.551 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.32 -80.43 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.766 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 43.8 p90 -162.28 146.91 12.36 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.87 130.46 34.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.766 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 19.1 ttmm -125.8 149.82 48.29 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -49.93 -37.57 32.44 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.535 0.522 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.94 -48.71 23.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 tt -172.39 162.78 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.589 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -64.87 128.48 35.95 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -114.85 117.28 30.27 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 m -72.25 130.77 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.711 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -172.35 46.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.353 0.597 . . . . 0.0 109.795 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -166.23 114.72 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.431 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.34 152.23 41.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.639 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 50.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.67 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.8 m . . . . . 0 C--O 1.233 0.191 0 N-CA-C 110.744 -0.095 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.88 -85.57 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.48 -44.3 25.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -54.85 -41.36 70.68 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.336 0.588 . . . . 0.0 109.902 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 71.1 m -76.72 -51.76 10.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.794 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -56.44 -46.1 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.43 -41.5 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.53 -1.05 35.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.64 10.93 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.491 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 93.6 m-85 -133.87 129.3 36.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.666 ' HD3' ' H ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -95.8 59.29 2.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.18 0.99 . . . . 0.0 108.68 178.003 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -150.09 21.81 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.751 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.04 -66.69 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.025 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.568 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 31.3 p90 -161.04 145.6 13.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 136.49 33.5 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.908 0.385 . . . . 0.0 111.161 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 22.0 ttmm -124.58 145.35 49.65 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.6 p-10 -51.56 -35.06 39.48 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.452 0.47 . . . . 0.0 111.302 -179.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 60.8 tttp -72.28 -51.23 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.229 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.593 HG12 ' H ' ' A' ' 39' ' ' CYS . 9.2 tt -176.05 174.85 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.704 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.593 ' H ' HG12 ' A' ' 38' ' ' ILE . 30.9 m -63.49 146.16 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.507 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -139.28 121.65 16.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.236 0.541 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.92 133.29 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.059 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -172.54 47.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.917 0.865 . . . . 0.0 109.719 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -158.88 93.16 1.15 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.935 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.1 155.78 23.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.928 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.859 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 1.025 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . 61.8 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.786 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -176.15 40.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.96 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.475 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -77.52 -21.73 52.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.806 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 75.6 m -61.04 -50.31 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.786 ' HG ' ' HB1' ' A' ' 21' ' ' ALA . 94.8 mt -58.75 -38.68 78.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.623 0.249 . . . . 0.0 111.142 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.16 -49.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.74 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -68.3 -45.3 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.306 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.442 ' O ' ' HD2' ' A' ' 44' ' ' LYS . . . 137.48 37.98 0.15 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.585 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.806 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 6.0 m-85 -124.5 123.13 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.592 ' NH2' ' HA ' ' A' ' 45' ' ' PHE . 8.0 ptp85 -80.87 -32.62 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.092 0.472 . . . . 0.0 111.312 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 43' ' ' ASP . . . 169.4 -135.95 3.81 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.525 ' HA3' ' O ' ' A' ' 41' ' ' CYS . . . 171.19 -64.71 0.15 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.199 -1.0 . . . . 0.0 112.468 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -162.43 133.02 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.491 0.662 . . . . 0.0 111.483 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.5 m -85.36 141.6 29.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.587 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 68.4 mttm -150.3 128.33 11.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 62.14 -129.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 25.2 tptp -116.04 32.53 6.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.023 0.915 . . . . 0.0 108.688 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -128.5 123.08 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.457 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 1.025 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 3.2 m -82.29 113.92 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 97.8 m-70 -91.2 137.5 32.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.525 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 25.9 m -77.45 -138.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.433 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 86.2 41.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.016 0.926 . . . . 0.0 110.332 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 21.4 t70 -153.05 100.12 2.46 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.143 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.442 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 25.4 tptp -70.59 141.48 51.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.708 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.592 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 12.4 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.121 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.03 0 CA-C-O 120.924 0.392 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.9 p -72.79 140.46 47.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.56 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.0 m -82.01 38.16 0.52 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.947 0.403 . . . . 0.0 110.799 179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -97.14 33.55 1.92 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.616 0.722 . . . . 0.0 109.765 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -140.68 -155.7 0.61 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.622 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.06 40.35 25.39 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.456 0.646 . . . . 0.0 110.541 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 m -75.45 65.24 1.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.107 -179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.62 ' HE1' ' HA ' ' A' ' 16' ' ' ASN . 5.3 t80 63.37 -129.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.267 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.672 ' HA ' ' O ' ' A' ' 12' ' ' TRP . 14.5 m -92.85 31.82 1.34 Allowed 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -73.57 -53.89 9.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.297 0.57 . . . . 0.0 109.595 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.0 mm100 -135.29 19.72 3.39 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.434 179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.672 ' O ' ' HA ' ' A' ' 9' ' ' SER . 17.7 m95 -142.24 146.91 35.67 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.736 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.2 p -79.09 39.29 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 CA-C-O 122.106 0.955 . . . . 0.0 110.56 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 m -63.79 126.96 90.97 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.97 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.1 Cg_endo -77.81 -44.26 0.18 Allowed 'Trans proline' 0 CA--C 1.532 0.375 0 C-N-CA 122.896 2.397 . . . . 0.0 113.576 -178.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.62 ' HA ' ' HE1' ' A' ' 8' ' ' PHE . 42.9 t30 -167.52 -35.06 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.281 0 N-CA-C 111.453 0.168 . . . . 0.0 111.453 -179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -49.57 124.63 9.83 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.11 0.481 . . . . 0.0 109.86 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.805 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 27.2 p -59.25 -72.78 0.09 Allowed 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 115.35 -0.841 . . . . 0.0 112.05 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt 71.11 -42.95 0.55 Allowed 'General case' 0 N--CA 1.47 0.571 0 O-C-N 124.031 0.832 . . . . 0.0 110.2 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.47 ' H ' ' C ' ' A' ' 18' ' ' SER . 5.7 t -174.13 45.16 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 114.719 -1.128 . . . . 0.0 108.614 179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' A' ' 25' ' ' LEU . . . -156.23 -92.25 0.04 OUTLIER 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.805 ' HB3' ' HB3' ' A' ' 18' ' ' SER . . . -30.64 -55.39 0.2 Allowed 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 114.708 1.373 . . . . 0.0 114.708 -176.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -59.27 -48.44 81.61 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.068 0.461 . . . . 0.0 111.218 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.701 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 58.9 m -66.81 -38.44 86.49 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.669 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 21' ' ' ALA . 75.3 mt -55.94 -31.78 63.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.838 -178.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 91.7 t -55.06 -50.47 63.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.042 0.448 . . . . 0.0 109.998 179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -78.07 -39.62 41.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.889 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 120.68 39.41 0.61 Allowed Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.225 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.701 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 1.2 m-85 -114.31 155.65 25.84 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.21 39.03 1.18 Allowed 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -179.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 165.19 139.45 2.64 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.049 -1.072 . . . . 0.0 112.619 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.8 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . 179.2 166.86 35.76 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.855 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.427 ' CE2' ' HG2' ' A' ' 42' ' ' ARG . 2.1 p90 -64.0 127.83 33.12 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.244 0.545 . . . . 0.0 110.617 179.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.956 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 6.6 p -83.47 151.19 25.57 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 -178.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.7 mttp -136.53 119.17 16.01 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.051 -1.092 . . . . 0.0 108.051 178.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 71.86 -63.14 0.44 Allowed 'General case' 0 N--CA 1.469 0.478 0 O-C-N 123.919 0.762 . . . . 0.0 110.388 -178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 58.5 mttm -156.05 -41.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 122.59 0.356 . . . . 0.0 111.026 179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 48.5 mm -83.02 135.22 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.8 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.956 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.7 OUTLIER -85.35 134.76 34.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.177 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -96.44 90.89 5.56 Favored 'General case' 0 C--N 1.315 -0.911 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.8 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 75.9 m -48.91 137.18 13.08 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.394 -1.275 . . . . 0.0 113.178 -177.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.467 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -132.7 32.71 3.82 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.8 -1.091 . . . . 0.0 110.166 -179.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -158.62 118.4 3.17 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.19 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 7.4 pttp -95.6 147.25 23.78 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.784 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 1.8 p90 . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.42 -0.8 . . . . 0.0 111.064 179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 120.669 0.271 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.7 p -128.35 -129.66 0.22 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.297 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.463 ' HA ' ' HB3' ' A' ' 34' ' ' CYS . 60.2 m 68.16 2.08 3.07 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.0 0.52 . . . . 0.0 112.13 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.9 t0 64.97 151.04 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.767 0.794 . . . . 0.0 111.377 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 5' ' ' LEU . 3.9 tt -82.24 -23.07 35.54 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.56 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . . . 67.77 45.51 1.43 Allowed 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.105 -1.407 . . . . 0.0 110.37 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.5 p -124.89 140.98 52.43 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.662 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 25' ' ' LEU . 45.4 m-85 -72.94 -56.34 5.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.922 0.868 . . . . 0.0 109.077 179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.442 ' HB3' ' HA ' ' A' ' 13' ' ' VAL . 5.0 p -173.92 48.31 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.993 -1.458 . . . . 0.0 109.503 -179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.7 m -62.26 -54.2 44.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.6 -178.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mm100 -87.87 -38.11 15.93 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.248 0.547 . . . . 0.0 111.227 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.5 ' CD1' HG23 ' A' ' 14' ' ' THR . 0.1 OUTLIER -162.91 148.76 12.13 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.901 -178.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.442 ' HA ' ' HB3' ' A' ' 9' ' ' SER . 19.4 t -76.72 79.18 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.147 0.499 . . . . 0.0 110.187 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.5 HG23 ' CD1' ' A' ' 12' ' ' TRP . 1.7 p -76.49 125.13 87.87 Favored Pre-proline 0 C--N 1.318 -0.793 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.0 -179.014 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -66.32 -34.83 33.93 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.518 2.146 . . . . 0.0 109.675 178.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -109.93 -147.96 0.42 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.572 -1.195 . . . . 0.0 108.388 178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.4 t70 69.25 -67.36 0.22 Allowed 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.173 0.589 . . . . 0.0 111.741 179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 p -77.54 56.54 1.44 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.054 0.455 . . . . 0.0 110.627 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 62.0 mt -55.99 -49.22 74.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.856 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.76 -34.49 11.31 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.671 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . . . -56.55 -54.73 42.51 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.597 0.237 . . . . 0.0 110.708 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.72 49.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.433 0.635 . . . . 0.0 110.839 178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 -163.52 -50.03 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 66.0 m -72.32 -44.1 63.17 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.229 178.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 8' ' ' PHE . 4.0 mm? -63.36 -27.53 69.37 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.566 -0.743 . . . . 0.0 112.156 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.6 t -55.28 -48.54 76.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 0.0 110.577 -179.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? -78.39 -53.2 7.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.993 0.425 . . . . 0.0 110.089 178.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.459 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 149.64 45.31 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.35 -0.929 . . . . 0.0 112.703 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.448 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 49.6 m-85 -130.46 133.68 46.51 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 46.7 ptt85 -67.27 -33.13 74.67 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.384 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.507 ' HA2' ' HA ' ' A' ' 41' ' ' CYS . . . 64.89 -144.15 47.68 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.977 179.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.6 21.07 78.83 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.104 -0.569 . . . . 0.0 112.132 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.598 ' CB ' ' HB2' ' A' ' 40' ' ' HIS . 1.8 m-30 -80.46 80.65 6.87 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 122.457 0.303 . . . . 0.0 111.488 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 3.2 p -75.91 99.1 4.4 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.13 0.491 . . . . 0.0 110.062 178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -149.84 129.22 12.94 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 38' ' ' ILE . 0.7 OUTLIER 62.25 35.58 15.27 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 -178.095 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? 68.97 -22.97 0.14 Allowed 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 115.156 -0.929 . . . . 0.0 112.649 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.435 ' H ' ' C ' ' A' ' 36' ' ' ASN . 50.2 mm -87.77 129.56 38.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 120.747 0.308 . . . . 0.0 111.013 -179.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.4 t -82.74 112.4 19.55 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.598 ' HB2' ' CB ' ' A' ' 33' ' ' TYR . 39.1 m-70 -90.99 163.45 14.32 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.397 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' HA ' ' HA2' ' A' ' 31' ' ' GLY . 79.7 m -90.63 -104.51 0.1 Allowed 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 178.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.437 ' O ' ' HB3' ' A' ' 29' ' ' TYR . 81.0 mtp180 62.9 -177.48 0.14 Allowed 'General case' 0 C--O 1.236 0.382 0 C-N-CA 122.957 0.503 . . . . 0.0 111.908 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 59.42 62.2 1.84 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.536 0.684 . . . . 0.0 109.905 -178.45 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 54.2 tttm -63.73 150.39 44.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.595 -1.184 . . . . 0.0 112.227 -179.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 . . . . . 0 C--O 1.249 1.046 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.448 178.523 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.024 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.4 p 48.26 44.06 19.44 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 123.168 0.587 . . . . 0.0 112.123 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 11.6 m -82.59 -33.41 28.03 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.481 179.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -64.27 131.07 46.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.28 -0.873 . . . . 0.0 110.033 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 51.8 mt -85.12 -15.78 42.71 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.035 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 63.91 25.19 13.9 Favored 'General case' 0 N--CA 1.461 0.089 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.698 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 14.2 m -83.51 52.48 2.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.563 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -71.04 137.33 48.9 Favored 'General case' 0 C--O 1.237 0.43 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.509 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m 70.27 159.84 0.2 Allowed 'General case' 0 CA--C 1.531 0.234 0 O-C-N 123.757 0.661 . . . . 0.0 111.256 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 47.5 m -71.68 78.96 0.83 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.223 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -77.3 -127.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.896 179.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 72.3 m95 -113.47 134.89 54.42 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.335 179.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.4 t 67.12 126.83 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.272 0 O-C-N 123.935 0.772 . . . . 0.0 111.997 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.475 ' HB ' ' HB3' ' A' ' 17' ' ' ASP . 20.7 p 49.64 78.94 0.37 Allowed Pre-proline 0 N--CA 1.468 0.45 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.341 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.93 -30.87 25.58 Favored 'Trans proline' 0 N--CA 1.464 -0.255 0 C-N-CA 122.971 2.447 . . . . 0.0 112.906 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -99.06 25.36 6.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.103 0.477 . . . . 0.0 111.098 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.475 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 10.8 t70 -121.87 128.82 52.03 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 178.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.696 ' HB2' ' H ' ' A' ' 22' ' ' ALA . 79.6 p -165.68 -26.03 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.779 -178.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.644 HD22 HD12 ' A' ' 38' ' ' ILE . 85.9 mt 78.41 -37.61 0.22 Allowed 'General case' 0 N--CA 1.469 0.51 0 O-C-N 124.062 0.851 . . . . 0.0 110.239 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.415 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 24.7 p -163.59 -37.23 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.559 179.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.19 -63.87 0.97 Allowed 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 112.538 0.57 . . . . 0.0 112.538 -178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.696 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -78.48 50.5 0.96 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 121.545 0.688 . . . . 0.0 110.542 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -159.24 -47.66 0.06 Allowed 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 20' ' ' CYS . 72.4 m -73.34 -53.36 10.96 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.645 179.133 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -63.92 -44.67 92.21 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.921 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.0 p -61.11 -36.73 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 N-CA-C 111.654 0.242 . . . . 0.0 111.654 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 27' ' ' LYS . 32.3 mmtp -81.09 -20.59 41.17 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.762 0.315 . . . . 0.0 111.25 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 99.14 39.57 3.49 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.931 -0.652 . . . . 0.0 113.177 179.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.867 ' HA ' ' HA ' ' A' ' 44' ' ' LYS . 12.6 m-85 -117.49 136.34 53.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 20.7 mtm-85 -85.78 -23.39 27.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.177 0.513 . . . . 0.0 110.116 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.5 152.04 42.32 Favored Glycine 0 N--CA 1.448 -0.524 0 CA-C-N 115.462 -0.79 . . . . 0.0 113.988 -179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -173.74 31.5 0.1 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 110.534 -1.026 . . . . 0.0 110.534 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.8 p90 -73.6 147.43 43.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.538 -0.331 . . . . 0.0 111.046 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 44.4 m -72.63 136.7 45.76 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.779 ' HB3' ' HD2' ' A' ' 40' ' ' HIS . 0.1 OUTLIER -142.77 117.35 9.75 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.294 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.456 ' HB3' ' O ' ' A' ' 35' ' ' LYS . 30.8 t30 74.92 -50.83 0.67 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 124.02 0.825 . . . . 0.0 109.944 -177.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -171.83 -47.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.844 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.644 HD12 HD22 ' A' ' 19' ' ' LEU . 47.5 mm -90.52 145.0 7.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.942 -179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 3.4 p -71.86 143.84 49.26 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.576 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.779 ' HD2' ' HB3' ' A' ' 35' ' ' LYS . 78.3 m-70 -125.85 148.94 49.01 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.355 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 26.9 m -65.22 -110.87 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.35 -0.841 . . . . 0.0 113.265 -177.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt85 74.69 144.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 123.328 0.651 . . . . 0.0 110.087 -178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.0 t0 67.18 86.66 0.13 Allowed 'General case' 0 C--O 1.237 0.424 0 CA-C-O 121.584 0.707 . . . . 0.0 110.811 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.867 ' HA ' ' HA ' ' A' ' 29' ' ' TYR . 25.3 pttm -73.28 164.7 26.3 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.885 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.816 -179.8 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.9 m -160.64 132.95 6.12 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 6.8 p -146.82 37.68 0.98 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.973 0.416 . . . . 0.0 111.647 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -155.14 133.4 11.71 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.157 0.503 . . . . 0.0 109.857 178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -115.57 -31.52 5.85 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.28 -178.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.565 ' HB2' ' HD3' ' A' ' 30' ' ' ARG . . . 66.81 30.98 7.64 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.547 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.8 p -100.4 116.64 32.84 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.9 t80 -67.89 -46.99 70.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.073 0.463 . . . . 0.0 111.434 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.593 ' HB2' ' HG2' ' A' ' 11' ' ' GLN . 3.1 p -76.32 -54.6 6.53 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.911 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.0 m 55.71 48.14 19.02 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.062 0.458 . . . . 0.0 110.751 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.593 ' HG2' ' HB2' ' A' ' 9' ' ' SER . 5.6 mm100 -74.15 42.19 0.15 Allowed 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.239 -179.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 32.4 m95 -85.13 -30.72 23.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.573 0.701 . . . . 0.0 110.278 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 p -176.08 127.8 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-N 114.242 -1.345 . . . . 0.0 109.904 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.532 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 0.3 OUTLIER 74.69 131.83 0.04 OUTLIER Pre-proline 0 CA--C 1.537 0.456 0 CA-C-O 121.6 0.714 . . . . 0.0 111.326 -179.143 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.532 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 1.1 Cg_endo -85.13 42.48 1.11 Allowed 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 123.566 2.844 . . . . 0.0 112.659 -179.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -172.54 54.28 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.485 0.66 . . . . 0.0 109.948 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 18' ' ' SER . 29.8 t70 -99.35 -136.52 0.3 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.677 -0.861 . . . . 0.0 108.677 179.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.424 ' H ' ' CG ' ' A' ' 17' ' ' ASP . 25.2 m 52.58 50.94 17.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.778 0.323 . . . . 0.0 111.307 179.153 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD12 ' N ' ' A' ' 20' ' ' CYS . 1.0 OUTLIER -59.16 -28.63 66.77 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.607 -179.406 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.455 ' N ' HD12 ' A' ' 19' ' ' LEU . 87.3 m -110.91 -45.16 3.5 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.882 0.372 . . . . 0.0 110.452 178.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.33 -50.5 71.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.684 0.624 . . . . 0.0 112.684 -178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.401 ' H ' ' HB3' ' A' ' 18' ' ' SER . . . -58.94 -38.23 78.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.756 0.313 . . . . 0.0 111.637 -179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 57.1 m170 -70.31 -45.08 66.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.607 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.774 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 62.1 m -73.94 -49.04 26.47 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 112.781 0.66 . . . . 0.0 112.781 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.698 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 11.2 mp -61.22 -35.27 76.76 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.307 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 8.9 p -66.41 -34.21 68.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.611 -0.436 . . . . 0.0 111.021 -179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -84.09 -57.63 3.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.74 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 150.75 40.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.924 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.774 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 81.6 m-85 -126.31 143.68 51.07 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.565 ' HD3' ' HB2' ' A' ' 6' ' ' ALA . 3.2 tpp85 -95.89 -43.11 7.98 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.821 0.343 . . . . 0.0 110.629 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.9 107.3 0.21 Allowed Glycine 0 N--CA 1.447 -0.614 0 C-N-CA 120.849 -0.691 . . . . 0.0 111.928 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.861 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -80.77 -111.41 0.31 Allowed Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.29 -0.481 . . . . 0.0 113.182 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 52.1 p90 -141.75 137.37 31.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 110.688 -178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 2.6 p -87.99 119.12 28.04 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 121.076 0.465 . . . . 0.0 110.579 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' H ' ' A' ' 37' ' ' LYS . 25.0 ttmm -87.22 94.93 9.8 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.119 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 74.8 -42.96 0.51 Allowed 'General case' 0 N--CA 1.467 0.419 0 O-C-N 124.032 0.832 . . . . 0.0 109.584 -177.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' H ' ' C ' ' A' ' 35' ' ' LYS . 4.8 tppp? -164.9 -45.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.637 178.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 6.3 tp -67.14 116.18 6.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 CA-C-O 121.412 0.625 . . . . 0.0 111.04 -179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.742 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -79.59 109.96 14.46 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.697 -179.156 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -101.16 115.17 29.86 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 178.144 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.861 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 97.0 m -81.4 142.18 33.24 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.329 0.585 . . . . 0.0 112.401 -178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 67.4 ttt-85 -153.45 29.72 0.48 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 122.4 1.095 . . . . 0.0 108.556 -179.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -114.71 -144.54 0.39 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.188 -1.369 . . . . 0.0 110.419 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -175.71 154.69 1.6 Allowed 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.072 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.698 ' HZ ' ' HG ' ' A' ' 25' ' ' LEU . 17.1 m-85 . . . . . 0 C--O 1.244 0.805 0 CA-C-O 118.721 -0.657 . . . . 0.0 109.79 178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.1 0.476 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.2 m -73.02 134.82 44.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.8 m 64.53 -159.63 0.29 Allowed 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.028 -179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -134.53 128.33 33.09 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 120.666 0.269 . . . . 0.0 110.478 -179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.2 mp -70.49 139.45 51.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.313 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.98 54.38 5.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.996 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 32.0 m -61.99 -35.06 77.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.392 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.653 ' HD1' ' HB1' ' A' ' 21' ' ' ALA . 31.1 t80 -67.87 136.0 53.38 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.405 178.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.4 m -143.36 118.69 10.23 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.781 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.8 p -97.66 123.48 41.59 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.363 -179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -171.91 41.27 0.02 OUTLIER 'General case' 0 C--O 1.235 0.341 0 CA-C-O 120.664 0.269 . . . . 0.0 111.311 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.408 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 1.7 m-90 63.72 51.95 2.32 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.682 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.408 ' HB ' ' O ' ' A' ' 12' ' ' TRP . 89.2 t 75.06 128.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.153 -0.931 . . . . 0.0 111.518 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.458 ' HA ' ' HD3' ' A' ' 15' ' ' PRO . 0.7 OUTLIER -64.16 142.08 98.2 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.843 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 14' ' ' THR . 7.6 Cg_exo -72.45 -57.19 0.08 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.237 0 C-N-CA 122.831 2.354 . . . . 0.0 112.475 -179.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -68.77 -64.02 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -174.97 138.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.503 -0.554 . . . . 0.0 109.503 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.647 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 63.0 p -69.06 -31.62 70.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.469 -179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 18' ' ' SER . 1.1 pp 59.99 -40.05 0.09 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 126.395 1.878 . . . . 0.0 113.669 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.463 ' SG ' HD12 ' A' ' 19' ' ' LEU . 27.9 p -177.66 48.5 0.01 OUTLIER 'General case' 0 C--N 1.315 -0.907 0 CA-C-O 121.426 0.631 . . . . 0.0 110.348 178.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HB1' ' HD1' ' A' ' 8' ' ' PHE . . . -134.39 -70.69 0.5 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.08 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.61 ' H ' ' HB2' ' A' ' 18' ' ' SER . . . -61.67 -52.48 64.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.813 -179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.431 ' O ' ' HG3' ' A' ' 27' ' ' LYS . 65.4 m-70 -62.34 -40.02 95.01 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.763 0.283 . . . . 0.0 111.763 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 79.3 m -67.47 -60.16 2.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.597 0.592 . . . . 0.0 112.597 -178.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.7 mp -65.98 -38.11 87.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 -176.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.5 t -59.06 -40.75 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 CA-C-N 118.455 0.571 . . . . 0.0 110.612 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 23' ' ' HIS . 60.3 mttm -73.58 -50.17 22.56 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 178.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.572 ' O ' ' HA ' ' A' ' 44' ' ' LYS . . . 144.56 40.62 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.45 -0.881 . . . . 0.0 113.267 178.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -136.84 131.33 33.08 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.485 ' O ' ' HD3' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -81.94 49.3 1.35 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.813 0.816 . . . . 0.0 109.53 178.208 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 86.18 -135.86 13.7 Favored Glycine 0 N--CA 1.441 -0.968 0 N-CA-C 110.082 -1.207 . . . . 0.0 110.082 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' HA3' ' O ' ' A' ' 40' ' ' HIS . . . 172.67 -151.53 14.43 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.48 -0.867 . . . . 0.0 112.215 179.003 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -77.71 144.61 37.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.116 0.484 . . . . 0.0 110.872 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 39' ' ' CYS . 22.6 p -116.05 124.2 49.85 Favored 'General case' 0 N--CA 1.442 -0.845 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.794 179.22 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 36' ' ' ASN . 87.1 tttt -79.99 60.9 3.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.534 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' A' ' 35' ' ' LYS . 4.3 m120 75.73 -33.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.459 0.704 . . . . 0.0 110.746 -177.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' H ' ' C ' ' A' ' 35' ' ' LYS . 24.2 ttmm -146.82 -57.53 0.27 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 178.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.51 119.65 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 1.6 p -103.3 147.15 27.42 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.852 -179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.439 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 97.4 m-70 -132.77 136.35 46.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.566 -179.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 13.5 m -60.78 122.2 14.21 Favored 'General case' 0 C--N 1.331 -0.207 0 O-C-N 123.198 0.311 . . . . 0.0 110.445 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 54.7 ttt-85 -167.02 44.94 0.05 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.332 0.587 . . . . 0.0 110.692 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -151.14 70.6 0.99 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.25 0.548 . . . . 0.0 109.668 179.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 28' ' ' GLY . 80.8 tttt -66.59 150.7 48.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.04 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.33 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -75.47 -49.66 18.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.858 0.361 . . . . 0.0 111.313 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 83.9 m -81.74 -102.86 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.109 -179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 65.52 37.29 6.14 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.199 0.523 . . . . 0.0 110.14 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.577 ' HG ' ' O ' ' A' ' 36' ' ' ASN . 10.5 mp -75.96 130.0 37.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.136 -179.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.68 49.88 1.41 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.421 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.497 ' HB3' ' O ' ' A' ' 37' ' ' LYS . 8.7 t -172.29 62.36 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.046 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.631 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 0.0 OUTLIER -148.29 -175.02 4.74 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.695 179.761 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.9 m 64.16 -169.57 0.2 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.327 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m -158.26 145.66 18.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.579 0.228 . . . . 0.0 110.632 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.21 -41.35 90.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.492 0.663 . . . . 0.0 109.632 179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.2 m-90 -82.49 169.02 16.85 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.481 178.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -60.78 128.98 22.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.359 0.599 . . . . 0.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.0 p -73.55 139.74 78.16 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.931 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -55.29 -37.12 94.71 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 123.006 2.47 . . . . 0.0 111.925 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.834 ' HB3' HD13 ' A' ' 25' ' ' LEU . 1.4 t-20 -151.75 -141.64 0.11 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 178.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.408 ' H ' ' CG ' ' A' ' 16' ' ' ASN . 41.8 m-20 -77.5 53.77 1.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.179 0.514 . . . . 0.0 110.256 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.669 ' HB3' ' HA ' ' A' ' 22' ' ' ALA . 1.7 m -77.28 47.88 0.59 Allowed 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.525 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 90.9 mt -60.6 -35.17 75.45 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.631 ' HA ' ' HB2' ' A' ' 8' ' ' PHE . 11.8 t -157.95 37.61 0.26 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.373 -1.285 . . . . 0.0 108.522 177.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.477 ' HB1' ' HB2' ' A' ' 24' ' ' CYS . . . -154.07 40.92 0.49 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.325 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.669 ' HA ' ' HB3' ' A' ' 18' ' ' SER . . . -59.97 -58.6 7.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.835 179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.8 p80 -66.24 -31.58 72.48 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.747 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.685 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 99.3 m -66.77 -48.44 69.06 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.834 HD13 ' HB3' ' A' ' 16' ' ' ASN . 24.3 mt -62.51 -36.19 81.79 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.316 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 22' ' ' ALA . 82.4 t -62.18 -43.37 97.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.969 0.414 . . . . 0.0 110.137 178.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -69.43 -54.55 13.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.639 179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.582 ' O ' ' HD3' ' A' ' 44' ' ' LYS . . . 150.77 37.29 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.611 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.685 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 7.0 m-85 -124.52 129.54 50.8 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 6.1 ttt-85 -72.65 -38.47 67.66 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 121.039 0.447 . . . . 0.0 109.949 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -177.69 -157.55 18.8 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.666 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.739 ' HA3' ' HA ' ' A' ' 41' ' ' CYS . . . -177.37 -128.71 1.17 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.838 -0.505 . . . . 0.0 111.838 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 40' ' ' HIS . 10.1 p90 -129.9 128.61 42.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.166 0.508 . . . . 0.0 110.441 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.45 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 17.5 p -88.91 131.05 35.3 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.938 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt -159.49 142.96 14.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.339 178.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.577 ' O ' ' HG ' ' A' ' 5' ' ' LEU . 78.0 m-20 63.17 -113.88 0.43 Allowed 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.542 0.526 . . . . 0.0 110.042 -178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.497 ' O ' ' HB3' ' A' ' 7' ' ' SER . 57.1 pttt -135.61 27.67 3.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.067 0.461 . . . . 0.0 111.211 179.248 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 56.5 mt -147.4 116.45 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.591 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.572 ' SG ' HD22 ' A' ' 5' ' ' LEU . 63.3 m -79.01 100.03 7.14 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.56 ' HB2' ' CE1' ' A' ' 33' ' ' TYR . 94.6 m-70 -74.95 104.38 5.52 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.197 -178.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.739 ' HA ' ' HA3' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -74.79 144.9 43.32 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.582 -0.735 . . . . 0.0 112.295 -179.044 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -156.28 61.5 0.56 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.858 -1.164 . . . . 0.0 107.858 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 46.7 t0 -157.15 71.5 0.66 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.774 -178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.582 ' HD3' ' O ' ' A' ' 28' ' ' GLY . 5.3 tppp? -64.27 145.41 56.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.786 -179.482 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 C--O 1.251 1.171 0 CA-C-O 118.51 -0.757 . . . . 0.0 110.161 179.207 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 CA-C-O 120.685 0.279 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.3 t -168.03 122.31 0.95 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.036 0.446 . . . . 0.0 109.99 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.6 m -141.98 -162.06 1.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.813 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.471 ' CG ' ' H ' ' A' ' 5' ' ' LEU . 13.8 t70 -169.0 -148.4 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.471 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 3.1 mm? -123.44 -42.04 2.25 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 178.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -171.28 109.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.322 -0.853 . . . . 0.0 109.994 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.2 t -170.47 129.33 0.85 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.62 ' HA ' ' CB ' ' A' ' 21' ' ' ALA . 25.7 t80 -65.83 -45.87 80.63 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-O 120.683 0.278 . . . . 0.0 110.91 -179.359 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 64.7 p 47.46 -118.51 0.93 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.397 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.807 ' HA ' ' HG ' ' A' ' 19' ' ' LEU . 24.0 m 64.42 168.47 0.17 Allowed 'General case' 0 CA--C 1.53 0.209 0 O-C-N 123.434 0.459 . . . . 0.0 111.782 178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.805 ' HA ' ' HB3' ' A' ' 15' ' ' PRO . 21.1 mt-30 61.66 41.83 11.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.501 -179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 18.1 t-105 -162.74 125.61 2.8 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.307 -0.86 . . . . 0.0 108.942 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.0 t 60.07 78.38 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.221 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 -178.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.6 p 56.97 81.39 0.26 Allowed Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.898 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.805 ' HB3' ' HA ' ' A' ' 11' ' ' GLN . 17.4 Cg_exo -66.24 75.91 0.35 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 124.377 3.385 . . . . 0.0 112.839 -179.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -79.27 47.54 0.81 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.826 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 72.48 -39.95 0.46 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 123.814 0.846 . . . . 0.0 113.08 178.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 1.002 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 4.4 p -163.1 107.94 1.09 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.248 0.547 . . . . 0.0 110.757 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.807 ' HG ' ' HA ' ' A' ' 10' ' ' SER . 87.5 mt -59.76 -56.08 26.3 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.167 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 84.0 m -158.5 58.1 0.45 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.076 179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' CB ' ' HA ' ' A' ' 8' ' ' PHE . . . -159.04 -67.83 0.08 Allowed 'General case' 0 C--O 1.227 -0.1 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 1.002 ' HB3' ' HB3' ' A' ' 18' ' ' SER . . . -54.61 -38.04 66.29 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -177.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -56.78 -41.19 77.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.303 0.573 . . . . 0.0 109.613 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 58.7 m -80.41 -59.22 2.78 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.419 -0.81 . . . . 0.0 112.339 -179.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.447 ' HG ' ' CZ ' ' A' ' 45' ' ' PHE . 11.1 mp -56.18 -45.94 79.57 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -176.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -62.21 -42.63 95.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.275 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -68.33 -46.06 71.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.251 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 135.52 42.1 0.12 Allowed Glycine 0 N--CA 1.453 -0.223 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.583 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -145.01 137.88 26.37 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.639 ' HD2' ' HA ' ' A' ' 45' ' ' PHE . 0.0 OUTLIER -80.6 -13.53 58.97 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.865 0.841 . . . . 0.0 108.769 178.648 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 167.42 -142.24 7.41 Favored Glycine 0 N--CA 1.442 -0.956 0 CA-C-N 114.549 -1.205 . . . . 0.0 110.551 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -179.32 -80.43 0.06 OUTLIER Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.766 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 43.8 p90 -162.28 146.91 12.36 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 42.3 t -86.87 130.46 34.46 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.592 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.766 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 19.1 ttmm -125.8 149.82 48.29 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -49.93 -37.57 32.44 Favored 'General case' 0 N--CA 1.466 0.339 0 O-C-N 123.535 0.522 . . . . 0.0 112.254 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -74.94 -48.71 23.06 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 111.645 0.239 . . . . 0.0 111.645 -179.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 9.6 tt -172.39 162.78 0.36 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.385 0 C-N-CA 121.133 -0.227 . . . . 0.0 111.589 -178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -64.87 128.48 35.95 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 53.5 m-70 -114.85 117.28 30.27 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.278 -0.569 . . . . 0.0 111.916 -179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 3.2 m -72.25 130.77 41.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.08 -0.964 . . . . 0.0 109.711 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -172.35 46.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.353 0.597 . . . . 0.0 109.795 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -166.23 114.72 0.92 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.431 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -64.34 152.23 41.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.962 -179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.639 ' HA ' ' HD2' ' A' ' 30' ' ' ARG . 50.3 m-85 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.427 -0.797 . . . . 0.0 111.67 -179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.432 ' HB2' ' HA ' ' A' ' 36' ' ' ASN . . . . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.936 0.398 . . . . 0.0 110.735 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.0 t -169.48 136.59 1.71 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.1 m -141.47 -143.08 0.15 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.863 0.363 . . . . 0.0 111.174 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -169.37 -174.33 1.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.97 -46.86 2.9 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -156.02 130.4 8.85 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.893 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.7 t -163.71 -143.95 0.08 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -124.42 -48.81 1.81 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.584 ' HB2' ' HB2' ' A' ' 19' ' ' LEU . 96.5 p 56.44 -177.46 0.05 OUTLIER 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 114.717 -1.129 . . . . 0.0 112.285 179.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.404 ' H ' HD12 ' A' ' 19' ' ' LEU . 49.5 m 64.73 171.57 0.2 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.689 -179.693 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 56.84 33.98 23.99 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 122.178 0.989 . . . . 0.0 110.012 -179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.52 ' O ' ' HB ' ' A' ' 13' ' ' VAL . 71.0 t-105 -165.35 73.41 0.2 Allowed 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 106.0 -1.852 . . . . 0.0 106.0 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.52 ' HB ' ' O ' ' A' ' 12' ' ' TRP . 70.3 t 82.66 125.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 107.218 -1.401 . . . . 0.0 107.218 -175.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 74.7 p 55.53 84.12 0.21 Allowed Pre-proline 0 N--CA 1.466 0.343 0 CA-C-O 121.573 0.702 . . . . 0.0 110.069 -176.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.42 60.81 1.1 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 123.9 3.066 . . . . 0.0 114.293 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.0 p-10 -83.61 -147.85 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -112.76 -27.53 8.12 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.382 -0.527 . . . . 0.0 112.18 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.925 ' HB3' ' HB3' ' A' ' 22' ' ' ALA . 35.5 p -168.02 100.92 0.46 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.104 0.478 . . . . 0.0 111.895 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.584 ' HB2' ' HB2' ' A' ' 9' ' ' SER . 95.4 mt -70.67 -46.35 63.36 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.002 -0.545 . . . . 0.0 109.844 178.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 63.8 m -151.32 60.15 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.744 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.88 -85.57 0.02 OUTLIER 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.925 ' HB3' ' HB3' ' A' ' 18' ' ' SER . . . -47.48 -44.3 25.13 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 113.253 0.835 . . . . 0.0 113.253 -176.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 -54.85 -41.36 70.68 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.336 0.588 . . . . 0.0 109.902 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.491 ' HB3' ' O ' ' A' ' 29' ' ' TYR . 71.1 m -76.72 -51.76 10.85 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.794 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.4 mp -56.44 -46.1 80.46 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 113.337 0.865 . . . . 0.0 113.337 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.43 -41.5 90.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.658 0.266 . . . . 0.0 111.37 -179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -79.53 -1.05 35.93 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.81 42.64 10.93 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 121.027 -0.606 . . . . 0.0 113.408 179.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.491 ' O ' ' HB3' ' A' ' 24' ' ' CYS . 93.6 m-85 -133.87 129.3 36.23 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.077 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.666 ' HD3' ' H ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -95.8 59.29 2.03 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 122.18 0.99 . . . . 0.0 108.68 178.003 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.21 -150.09 21.81 Favored Glycine 0 N--CA 1.444 -0.772 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.751 -178.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 176.04 -66.69 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.025 179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.568 ' HE1' ' HE2' ' A' ' 35' ' ' LYS . 31.3 p90 -161.04 145.6 13.74 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.769 -0.456 . . . . 0.0 109.769 179.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 35.5 t -85.2 136.49 33.5 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.908 0.385 . . . . 0.0 111.161 -179.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.568 ' HE2' ' HE1' ' A' ' 33' ' ' TYR . 22.0 ttmm -124.58 145.35 49.65 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.432 ' HA ' ' HB2' ' A' ' 1' ' ' ALA . 17.6 p-10 -51.56 -35.06 39.48 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 123.452 0.47 . . . . 0.0 111.302 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' H ' ' HG2' ' A' ' 35' ' ' LYS . 60.8 tttp -72.28 -51.23 21.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.229 -179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.593 HG12 ' H ' ' A' ' 39' ' ' CYS . 9.2 tt -176.05 174.85 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.704 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.593 ' H ' HG12 ' A' ' 38' ' ' ILE . 30.9 m -63.49 146.16 54.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.507 179.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -139.28 121.65 16.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.236 0.541 . . . . 0.0 111.464 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.92 133.29 41.81 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.267 -0.878 . . . . 0.0 111.059 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -172.54 47.08 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.917 0.865 . . . . 0.0 109.719 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -158.88 93.16 1.15 Allowed 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.934 -1.03 . . . . 0.0 108.935 179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -62.1 155.78 23.29 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.928 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 6.2 m-30 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.568 -0.729 . . . . 0.0 110.859 179.862 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.2 t -141.12 42.86 1.8 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.991 0.9 . . . . 0.0 109.625 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.3 t -177.43 164.06 2.06 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.767 -1.106 . . . . 0.0 109.336 -179.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.3 t0 -76.26 118.24 18.78 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 178.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.7 mp -101.14 -2.73 30.68 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 53.32 -136.44 1.36 Allowed 'General case' 0 C--O 1.235 0.317 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.571 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 56.7 p -151.36 -132.59 0.05 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -75.41 65.39 1.68 Allowed 'General case' 0 CA--C 1.532 0.251 0 CA-C-O 121.277 0.56 . . . . 0.0 110.513 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 22' ' ' ALA . 25.1 m -65.16 135.72 55.82 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.771 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.2 t -159.52 148.48 17.98 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.159 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.446 ' HG2' HD11 ' A' ' 19' ' ' LEU . 99.6 mm-40 -82.51 -131.92 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.99 179.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.8 m95 -121.74 -16.29 7.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.066 0.46 . . . . 0.0 111.268 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.0 p -170.89 144.39 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.035 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.66 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 m 73.51 118.55 0.03 OUTLIER Pre-proline 0 CA--C 1.531 0.228 0 CA-C-O 121.525 0.679 . . . . 0.0 111.694 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -81.96 65.02 8.51 Favored 'Trans proline' 0 N--CA 1.457 -0.635 0 C-N-CA 123.334 2.689 . . . . 0.0 111.729 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -52.95 -46.82 68.35 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.038 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -166.93 168.03 14.28 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.673 ' HA ' ' HB3' ' A' ' 22' ' ' ALA . 66.6 m -62.57 -23.52 67.06 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.565 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD11 ' HG2' ' A' ' 11' ' ' GLN . 87.1 mt 73.52 -39.24 0.43 Allowed 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.858 0.724 . . . . 0.0 110.19 -178.695 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 1.025 ' HA ' ' HB2' ' A' ' 39' ' ' CYS . 61.8 m -155.55 -45.53 0.08 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.092 178.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.786 ' HB1' ' HG ' ' A' ' 25' ' ' LEU . . . -176.15 40.92 0.01 OUTLIER 'General case' 0 C--O 1.225 -0.2 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 179.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' A' ' 18' ' ' SER . . . -58.96 -76.4 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.756 0.312 . . . . 0.0 111.475 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.9 p80 -77.52 -21.73 52.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.9 0.381 . . . . 0.0 110.762 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.806 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 75.6 m -61.04 -50.31 73.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.855 -179.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.786 ' HG ' ' HB1' ' A' ' 21' ' ' ALA . 94.8 mt -58.75 -38.68 78.96 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.623 0.249 . . . . 0.0 111.142 -179.694 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 48.5 t -61.16 -49.15 85.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.74 179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -68.3 -45.3 73.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.306 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.442 ' O ' ' HD2' ' A' ' 44' ' ' LYS . . . 137.48 37.98 0.15 Allowed Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.585 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.806 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 6.0 m-85 -124.5 123.13 39.44 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.592 ' NH2' ' HA ' ' A' ' 45' ' ' PHE . 8.0 ptp85 -80.87 -32.62 34.88 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.092 0.472 . . . . 0.0 111.312 -178.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.481 ' O ' ' HB3' ' A' ' 43' ' ' ASP . . . 169.4 -135.95 3.81 Favored Glycine 0 N--CA 1.44 -1.096 0 N-CA-C 109.33 -1.508 . . . . 0.0 109.33 -178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.525 ' HA3' ' O ' ' A' ' 41' ' ' CYS . . . 171.19 -64.71 0.15 Allowed Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.199 -1.0 . . . . 0.0 112.468 178.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 24.7 p90 -162.43 133.02 4.81 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.491 0.662 . . . . 0.0 111.483 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 89.5 m -85.36 141.6 29.9 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.587 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HB2' ' CD2' ' A' ' 40' ' ' HIS . 68.4 mttm -150.3 128.33 11.87 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 5.2 m120 62.14 -129.16 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' HD2' ' HA ' ' A' ' 37' ' ' LYS . 25.2 tptp -116.04 32.53 6.05 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 122.023 0.915 . . . . 0.0 108.688 177.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 68.0 mt -128.5 123.08 58.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.457 -179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 1.025 ' HB2' ' HA ' ' A' ' 20' ' ' CYS . 3.2 m -82.29 113.92 20.42 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.496 ' CD2' ' HB2' ' A' ' 35' ' ' LYS . 97.8 m-70 -91.2 137.5 32.32 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.525 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 25.9 m -77.45 -138.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.251 0.344 . . . . 0.0 111.433 -178.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 58.5 ttt-85 86.2 41.36 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.016 0.926 . . . . 0.0 110.332 -179.101 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.481 ' HB3' ' O ' ' A' ' 31' ' ' GLY . 21.4 t70 -153.05 100.12 2.46 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 115.635 -0.712 . . . . 0.0 110.143 178.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.442 ' HD2' ' O ' ' A' ' 28' ' ' GLY . 25.4 tptp -70.59 141.48 51.79 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.528 -1.215 . . . . 0.0 110.708 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.592 ' HA ' ' NH2' ' A' ' 30' ' ' ARG . 12.4 m-85 . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.517 -0.754 . . . . 0.0 110.121 179.174 . . . . . . . . 1 1 . 1 stop_ save_