data_2bus_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 2bus _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 full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 121.097 0.475 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.59 50.86 6.29 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.725 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 67.01 163.67 0.19 Allowed 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -133.18 -178.89 5.18 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 113.327 -1.761 . . . . 0.0 111.02 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.23 98.54 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.126 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.72 150.56 20.3 Favored 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 125.073 1.483 . . . . 0.0 111.994 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.77 -72.07 0.56 Allowed 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.323 -169.77 -104.625 -73.001 -87.612 104.296 2.036 107.978 -46.011 -74.659 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.83 -33.54 1.97 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 117.928 2.566 . . . . 0.0 117.928 176.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -46.63 -29.25 1.75 Allowed 'General case' 0 N--CA 1.445 -0.724 1 N-CA-C 123.241 4.534 . . . . 0.0 123.241 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.6 23.25 8.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 119.539 3.163 . . . . 0.0 119.539 167.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -88.13 36.14 0.77 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . 0.31 0.2 OUTLIER -54.0 -55.85 31.93 Favored Pre-proline 0 C--O 1.246 0.911 0 CA-C-O 116.799 -1.572 . . . . 0.0 114.409 174.343 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -96.54 -74.01 0.0 OUTLIER 'Cis proline' 0 N--CA 1.443 -1.5 0 N-CA-C 119.608 2.888 . . . . 0.0 119.608 13.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.296 0.1 OUTLIER 57.57 30.48 18.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -167.382 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -140.97 119.66 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 C-N-CA 124.415 1.086 . . . . 0.0 108.375 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -74.63 133.15 42.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 124.637 1.211 . . . . 0.0 110.031 -172.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.4 m -92.58 158.22 16.09 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 124.527 1.142 . . . . 0.0 112.06 179.492 -74.018 -99.522 67.241 104.968 2.075 106.306 154.665 -173.246 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.393 14.4 t 49.11 56.36 7.91 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 118.829 2.9 . . . . 0.0 118.829 171.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -164.95 -88.22 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.218 -1.356 . . . . 0.0 109.878 160.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.64 99.55 10.92 Favored 'General case' 0 N--CA 1.436 -1.134 0 O-C-N 125.007 1.442 . . . . 0.0 113.942 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -154.98 43.39 0.47 Allowed 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 119.161 3.023 . . . . 0.0 119.161 162.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.76 137.47 0.05 OUTLIER Pre-proline 0 C--N 1.312 -1.06 0 C-N-CA 127.857 2.463 . . . . 0.0 114.654 168.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -86.18 150.17 9.34 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 124.261 3.307 . . . . 0.0 116.469 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -163.24 143.67 9.11 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 125.618 1.824 . . . . 0.0 114.496 -171.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.0 t -86.19 120.07 27.15 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.38 -1.282 . . . . 0.0 107.677 -175.378 165.304 164.995 -57.268 109.006 1.924 112.569 102.38 -134.15 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.48 149.51 19.41 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.2 p -76.55 83.13 3.23 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 126.008 1.652 . . . . 0.0 112.955 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -165.77 -53.17 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.904 1.682 . . . . 0.0 106.878 175.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.82 51.8 0.02 OUTLIER Glycine 0 CA--C 1.533 1.189 0 O-C-N 124.58 1.175 . . . . 0.0 113.077 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -162.86 141.43 8.52 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 122.523 1.154 . . . . 0.0 113.67 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.2 m -90.8 99.95 12.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.024 173.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -77.3 142.58 39.37 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 125.669 1.855 . . . . 0.0 109.541 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.79 -74.45 0.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 121.027 3.171 . . . . 0.0 121.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.48 153.44 19.7 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 126.076 1.692 . . . . 0.0 114.833 167.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -31.38 67.87 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 117.951 2.575 . . . . 0.0 117.951 171.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.2 t -67.81 -48.69 65.55 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 125.408 1.693 . . . . 0.0 107.379 177.941 -173.246 154.665 67.241 106.306 2.075 104.968 -99.522 -74.018 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.11 -46.16 90.28 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 126.268 2.23 . . . . 0.0 111.336 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -56.11 -43.55 78.24 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 125.602 1.814 . . . . 0.0 111.928 170.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.6 m -64.29 -44.82 90.47 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 126.292 2.245 . . . . 0.0 110.497 -178.9 -74.659 -46.011 -87.612 107.978 2.036 104.296 -73.001 -104.625 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -60.34 -36.93 79.13 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 126.576 2.422 . . . . 0.0 111.045 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.17 -46.79 48.71 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 115.98 -1.962 . . . . 0.0 109.98 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.5 t -48.08 -38.32 7.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 125.943 2.027 . . . . 0.0 112.85 177.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 ttp -55.85 -37.68 69.07 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 127.251 2.845 . . . . 0.0 115.44 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . 0.253 8.2 tmtt? -80.92 -81.35 0.13 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 116.501 -1.714 . . . . 0.0 109.184 -177.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.284 0.8 OUTLIER 7.57 -76.11 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.23 1 N-CA-C 125.616 5.413 . . . . 0.0 125.616 -172.393 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.73 -58.87 0.09 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.77 96.39 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.975 1.044 . . . . 0.0 113.272 -166.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 74.89 95.12 0.07 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 170.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 mp -135.69 57.13 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 -164.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -74.21 161.37 30.01 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.856 -170.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.25 169.23 14.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.96 -69.9 0.31 Allowed 'General case' 0 C--N 1.321 -0.669 0 O-C-N 125.801 1.938 . . . . 0.0 111.243 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -90.18 145.29 25.13 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 125.01 1.444 . . . . 0.0 112.488 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -83.75 136.42 34.17 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 124.992 1.433 . . . . 0.0 108.746 168.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.72 -138.6 30.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 125.522 1.764 . . . . 0.0 112.536 -174.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 150.13 44.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 125.043 1.084 . . . . 0.0 111.218 -175.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.611 0 O-C-N 125.129 1.518 . . . . 0.0 108.118 -177.93 -134.15 102.38 -57.268 112.569 1.924 109.006 164.995 165.304 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 121.097 0.475 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.59 50.86 6.29 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.725 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 67.01 163.67 0.19 Allowed 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -133.18 -178.89 5.18 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 113.327 -1.761 . . . . 0.0 111.02 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.23 98.54 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.126 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.72 150.56 20.3 Favored 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 125.073 1.483 . . . . 0.0 111.994 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.77 -72.07 0.56 Allowed 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.323 -169.77 -104.625 -73.001 -87.612 104.296 2.036 107.978 -46.011 -74.659 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.83 -33.54 1.97 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 117.928 2.566 . . . . 0.0 117.928 176.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -46.63 -29.25 1.75 Allowed 'General case' 0 N--CA 1.445 -0.724 1 N-CA-C 123.241 4.534 . . . . 0.0 123.241 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.6 23.25 8.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 119.539 3.163 . . . . 0.0 119.539 167.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -88.13 36.14 0.77 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.531 ' N ' ' HA ' ' A' ' 13' ' ' PRO 0.31 0.2 OUTLIER -54.0 -55.85 31.93 Favored Pre-proline 0 C--O 1.246 0.911 0 CA-C-O 116.799 -1.572 . . . . 0.0 114.409 174.343 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HA ' ' N ' ' A' ' 12' ' ' ASP . 61.4 Cg_endo -96.54 -74.01 0.0 OUTLIER 'Cis proline' 0 N--CA 1.443 -1.5 0 N-CA-C 119.608 2.888 . . . . 0.0 119.608 13.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.296 0.1 OUTLIER 57.57 30.48 18.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -167.382 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -140.97 119.66 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 C-N-CA 124.415 1.086 . . . . 0.0 108.375 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -74.63 133.15 42.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 124.637 1.211 . . . . 0.0 110.031 -172.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.4 m -92.58 158.22 16.09 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 124.527 1.142 . . . . 0.0 112.06 179.492 -74.018 -99.522 67.241 104.968 2.075 106.306 154.665 -173.246 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.393 14.4 t 49.11 56.36 7.91 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 118.829 2.9 . . . . 0.0 118.829 171.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -164.95 -88.22 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.218 -1.356 . . . . 0.0 109.878 160.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.64 99.55 10.92 Favored 'General case' 0 N--CA 1.436 -1.134 0 O-C-N 125.007 1.442 . . . . 0.0 113.942 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -154.98 43.39 0.47 Allowed 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 119.161 3.023 . . . . 0.0 119.161 162.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.76 137.47 0.05 OUTLIER Pre-proline 0 C--N 1.312 -1.06 0 C-N-CA 127.857 2.463 . . . . 0.0 114.654 168.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -86.18 150.17 9.34 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 124.261 3.307 . . . . 0.0 116.469 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -163.24 143.67 9.11 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 125.618 1.824 . . . . 0.0 114.496 -171.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.0 t -86.19 120.07 27.15 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.38 -1.282 . . . . 0.0 107.677 -175.378 165.304 164.995 -57.268 109.006 1.924 112.569 102.38 -134.15 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.48 149.51 19.41 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.2 p -76.55 83.13 3.23 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 126.008 1.652 . . . . 0.0 112.955 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -165.77 -53.17 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.904 1.682 . . . . 0.0 106.878 175.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.82 51.8 0.02 OUTLIER Glycine 0 CA--C 1.533 1.189 0 O-C-N 124.58 1.175 . . . . 0.0 113.077 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -162.86 141.43 8.52 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 122.523 1.154 . . . . 0.0 113.67 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.2 m -90.8 99.95 12.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.024 173.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -77.3 142.58 39.37 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 125.669 1.855 . . . . 0.0 109.541 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.79 -74.45 0.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 121.027 3.171 . . . . 0.0 121.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.48 153.44 19.7 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 126.076 1.692 . . . . 0.0 114.833 167.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -31.38 67.87 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 117.951 2.575 . . . . 0.0 117.951 171.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.2 t -67.81 -48.69 65.55 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 125.408 1.693 . . . . 0.0 107.379 177.941 -173.246 154.665 67.241 106.306 2.075 104.968 -99.522 -74.018 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.11 -46.16 90.28 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 126.268 2.23 . . . . 0.0 111.336 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 42' ' ' VAL . 74.5 t80 -56.11 -43.55 78.24 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 125.602 1.814 . . . . 0.0 111.928 170.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.6 m -64.29 -44.82 90.47 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 126.292 2.245 . . . . 0.0 110.497 -178.9 -74.659 -46.011 -87.612 107.978 2.036 104.296 -73.001 -104.625 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -60.34 -36.93 79.13 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 126.576 2.422 . . . . 0.0 111.045 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.17 -46.79 48.71 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 115.98 -1.962 . . . . 0.0 109.98 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 38' ' ' PHE . 48.5 t -48.08 -38.32 7.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 125.943 2.027 . . . . 0.0 112.85 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 ttp -55.85 -37.68 69.07 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 127.251 2.845 . . . . 0.0 115.44 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . 0.253 8.2 tmtt? -80.92 -81.35 0.13 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 116.501 -1.714 . . . . 0.0 109.184 -177.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.284 0.8 OUTLIER 7.57 -76.11 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.23 1 N-CA-C 125.616 5.413 . . . . 0.0 125.616 -172.393 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.73 -58.87 0.09 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.77 96.39 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.975 1.044 . . . . 0.0 113.272 -166.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 74.89 95.12 0.07 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 170.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 mp -135.69 57.13 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 -164.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -74.21 161.37 30.01 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.856 -170.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.25 169.23 14.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.96 -69.9 0.31 Allowed 'General case' 0 C--N 1.321 -0.669 0 O-C-N 125.801 1.938 . . . . 0.0 111.243 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -90.18 145.29 25.13 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 125.01 1.444 . . . . 0.0 112.488 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -83.75 136.42 34.17 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 124.992 1.433 . . . . 0.0 108.746 168.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.72 -138.6 30.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 125.522 1.764 . . . . 0.0 112.536 -174.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 150.13 44.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 125.043 1.084 . . . . 0.0 111.218 -175.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.611 0 O-C-N 125.129 1.518 . . . . 0.0 108.118 -177.93 -134.15 102.38 -57.268 112.569 1.924 109.006 164.995 165.304 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 0.267 0 CA-C-O 121.097 0.475 . . . . 0.0 111.647 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 77.59 50.86 6.29 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-N 114.767 -1.106 . . . . 0.0 112.725 -178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 67.01 163.67 0.19 Allowed 'General case' 0 N--CA 1.443 -0.814 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -133.18 -178.89 5.18 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 113.327 -1.761 . . . . 0.0 111.02 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 95.7 t -78.23 98.54 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.126 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -93.72 150.56 20.3 Favored 'General case' 0 N--CA 1.438 -1.06 0 O-C-N 125.073 1.483 . . . . 0.0 111.994 178.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.77 -72.07 0.56 Allowed 'General case' 0 N--CA 1.443 -0.825 0 CA-C-N 114.462 -1.245 . . . . 0.0 113.323 -169.77 -104.625 -73.001 -87.612 104.296 2.036 107.978 -46.011 -74.659 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -44.83 -33.54 1.97 Allowed 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 117.928 2.566 . . . . 0.0 117.928 176.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -46.63 -29.25 1.75 Allowed 'General case' 0 N--CA 1.445 -0.724 1 N-CA-C 123.241 4.534 . . . . 0.0 123.241 173.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.6 23.25 8.85 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 119.539 3.163 . . . . 0.0 119.539 167.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.8 tptt -88.13 36.14 0.77 Allowed 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 115.909 1.818 . . . . 0.0 115.909 175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.531 ' N ' ' HA ' ' A' ' 13' ' ' PRO 0.31 0.2 OUTLIER -54.0 -55.85 31.93 Favored Pre-proline 0 C--O 1.246 0.911 0 CA-C-O 116.799 -1.572 . . . . 0.0 114.409 174.343 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.531 ' HA ' ' N ' ' A' ' 12' ' ' ASP . 61.4 Cg_endo -96.54 -74.01 0.0 OUTLIER 'Cis proline' 0 N--CA 1.443 -1.5 0 N-CA-C 119.608 2.888 . . . . 0.0 119.608 13.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.296 0.1 OUTLIER 57.57 30.48 18.83 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 116.715 2.117 . . . . 0.0 116.715 -167.382 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 78.8 t -140.97 119.66 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 C-N-CA 124.415 1.086 . . . . 0.0 108.375 177.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -74.63 133.15 42.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 O-C-N 124.637 1.211 . . . . 0.0 110.031 -172.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 60.4 m -92.58 158.22 16.09 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 124.527 1.142 . . . . 0.0 112.06 179.492 -74.018 -99.522 67.241 104.968 2.075 106.306 154.665 -173.246 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . 0.393 14.4 t 49.11 56.36 7.91 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 118.829 2.9 . . . . 0.0 118.829 171.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.1 tpp180 -164.95 -88.22 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 114.218 -1.356 . . . . 0.0 109.878 160.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.64 99.55 10.92 Favored 'General case' 0 N--CA 1.436 -1.134 0 O-C-N 125.007 1.442 . . . . 0.0 113.942 -178.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.4 m -154.98 43.39 0.47 Allowed 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 119.161 3.023 . . . . 0.0 119.161 162.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.76 137.47 0.05 OUTLIER Pre-proline 0 C--N 1.312 -1.06 0 C-N-CA 127.857 2.463 . . . . 0.0 114.654 168.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 75.3 Cg_endo -86.18 150.17 9.34 Favored 'Trans proline' 0 C--N 1.375 1.935 0 C-N-CA 124.261 3.307 . . . . 0.0 116.469 177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -163.24 143.67 9.11 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 125.618 1.824 . . . . 0.0 114.496 -171.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.0 t -86.19 120.07 27.15 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 114.38 -1.282 . . . . 0.0 107.677 -175.378 165.304 164.995 -57.268 109.006 1.924 112.569 102.38 -134.15 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -94.48 149.51 19.41 Favored Glycine 0 CA--C 1.535 1.316 0 N-CA-C 108.232 -1.947 . . . . 0.0 108.232 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.2 p -76.55 83.13 3.23 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 126.008 1.652 . . . . 0.0 112.955 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -165.77 -53.17 0.03 OUTLIER 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 125.904 1.682 . . . . 0.0 106.878 175.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 149.82 51.8 0.02 OUTLIER Glycine 0 CA--C 1.533 1.189 0 O-C-N 124.58 1.175 . . . . 0.0 113.077 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -162.86 141.43 8.52 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-O 122.523 1.154 . . . . 0.0 113.67 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 55.2 m -90.8 99.95 12.89 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.024 173.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -77.3 142.58 39.37 Favored 'General case' 0 CA--C 1.536 0.433 0 O-C-N 125.669 1.855 . . . . 0.0 109.541 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.79 -74.45 0.61 Allowed Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 121.027 3.171 . . . . 0.0 121.027 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -101.48 153.44 19.7 Favored 'General case' 0 N--CA 1.437 -1.077 0 O-C-N 126.076 1.692 . . . . 0.0 114.833 167.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.53 -31.38 67.87 Favored 'General case' 0 N--CA 1.444 -0.743 0 N-CA-C 117.951 2.575 . . . . 0.0 117.951 171.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 47.2 t -67.81 -48.69 65.55 Favored 'General case' 0 C--N 1.315 -0.917 0 O-C-N 125.408 1.693 . . . . 0.0 107.379 177.941 -173.246 154.665 67.241 106.306 2.075 104.968 -99.522 -74.018 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.11 -46.16 90.28 Favored 'General case' 0 C--N 1.316 -0.883 0 O-C-N 126.268 2.23 . . . . 0.0 111.336 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 42' ' ' VAL . 74.5 t80 -56.11 -43.55 78.24 Favored 'General case' 0 C--N 1.319 -0.738 0 O-C-N 125.602 1.814 . . . . 0.0 111.928 170.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.6 m -64.29 -44.82 90.47 Favored 'General case' 0 C--N 1.319 -0.735 0 O-C-N 126.292 2.245 . . . . 0.0 110.497 -178.9 -74.659 -46.011 -87.612 107.978 2.036 104.296 -73.001 -104.625 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -60.34 -36.93 79.13 Favored 'General case' 0 C--N 1.314 -0.941 0 O-C-N 126.576 2.422 . . . . 0.0 111.045 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.17 -46.79 48.71 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 115.98 -1.962 . . . . 0.0 109.98 177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 38' ' ' PHE . 48.5 t -48.08 -38.32 7.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 125.943 2.027 . . . . 0.0 112.85 177.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 14.1 ttp -55.85 -37.68 69.07 Favored 'General case' 0 C--N 1.314 -0.948 0 O-C-N 127.251 2.845 . . . . 0.0 115.44 177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . 0.253 8.2 tmtt? -80.92 -81.35 0.13 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 116.501 -1.714 . . . . 0.0 109.184 -177.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.284 0.8 OUTLIER 7.57 -76.11 0.0 OUTLIER 'General case' 0 C--N 1.308 -1.23 1 N-CA-C 125.616 5.413 . . . . 0.0 125.616 -172.393 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 177.73 -58.87 0.09 OUTLIER Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.592 -1.003 . . . . 0.0 110.592 -169.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 160.77 96.39 0.11 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.975 1.044 . . . . 0.0 113.272 -166.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 74.89 95.12 0.07 Allowed 'General case' 0 N--CA 1.441 -0.91 0 N-CA-C 116.07 1.878 . . . . 0.0 116.07 170.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 1.2 mp -135.69 57.13 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.074 0 N-CA-C 105.618 -1.993 . . . . 0.0 105.618 -164.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -74.21 161.37 30.01 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 114.813 -1.085 . . . . 0.0 112.856 -170.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.25 169.23 14.0 Favored 'General case' 0 N--CA 1.448 -0.55 0 N-CA-C 106.676 -1.601 . . . . 0.0 106.676 179.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.96 -69.9 0.31 Allowed 'General case' 0 C--N 1.321 -0.669 0 O-C-N 125.801 1.938 . . . . 0.0 111.243 179.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -90.18 145.29 25.13 Favored 'General case' 0 N--CA 1.442 -0.86 0 O-C-N 125.01 1.444 . . . . 0.0 112.488 179.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 19.6 mmm-85 -83.75 136.42 34.17 Favored 'General case' 0 N--CA 1.442 -0.863 0 O-C-N 124.992 1.433 . . . . 0.0 108.746 168.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 69.72 -138.6 30.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 125.522 1.764 . . . . 0.0 112.536 -174.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.86 150.13 44.55 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 125.043 1.084 . . . . 0.0 111.218 -175.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.611 0 O-C-N 125.129 1.518 . . . . 0.0 108.118 -177.93 -134.15 102.38 -57.268 112.569 1.924 109.006 164.995 165.304 1 1 . 1 stop_ save_