data_1ctx_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 1ctx _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ILE . . . . . 1.52 ' CD1' ' N ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.27 2.168 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . 0.704 ' CD ' ' CB ' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -108.34 63.07 0.61 Allowed 'General case' 0 C--O 1.252 1.23 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 -178.164 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . 1.458 ' N ' ' CA ' ' A' ' 3' ' ' CYS 1.122 61.5 m -37.44 119.07 0.68 Allowed 'General case' 2 N--CA 1.79 16.553 3 C-N-CA 142.726 8.41 . . . . 0.0 91.62 171.129 -56.352 -28.211 -92.748 103.516 2.034 100.834 -18.12 -48.795 5 3 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PHE . . . . . 0.594 ' CE1' ' O ' ' A' ' 61' ' ' ASN . 0.7 OUTLIER -56.14 -60.29 3.7 Favored 'General case' 0 C--N 1.295 -1.788 1 CA-C-N 127.181 4.537 . . . . 0.0 109.121 156.618 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . 0.697 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 6.4 mt 65.14 160.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.276 -2.62 0 C-N-CA 126.37 1.868 . . . . 0.0 109.817 179.774 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . 0.648 ' CG2' ' N ' ' A' ' 39' ' ' LEU . 67.1 p -100.73 -179.34 0.8 Allowed Pre-proline 0 C--O 1.301 3.796 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . 0.278 1.6 Cg_endo -77.9 -18.96 21.55 Favored 'Cis proline' 0 N--CA 1.439 -1.697 0 N-CA-C 106.915 -1.994 . . . . 0.0 106.915 -16.157 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -44.31 55.63 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.697 2 O-C-N 135.688 8.118 . . . . 0.0 118.282 -174.433 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm 44.66 -116.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.725 0 O-C-N 124.954 1.409 . . . . 0.0 108.743 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . 0.286 54.4 p -116.57 149.57 39.43 Favored 'General case' 1 N--CA 1.563 5.2 0 C-N-CA 130.151 3.381 . . . . 0.0 105.134 -179.148 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' SER . . . . . 0.787 ' O ' ' CG ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -177.61 -140.81 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 125.289 1.618 . . . . 0.0 110.406 -179.803 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . 0.787 ' CG ' ' O ' ' A' ' 11' ' ' SER . 28.9 mttt 163.78 -153.25 0.0 OUTLIER 'General case' 0 N--CA 1.536 3.864 0 O-C-N 124.294 0.996 . . . . 0.0 112.324 176.146 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . 0.735 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 30.4 t70 38.64 97.46 0.0 OUTLIER 'General case' 1 N--CA 1.551 4.607 0 C-N-CA 129.17 2.988 . . . . 0.0 114.073 -179.678 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . 1.093 ' CB ' ' SG ' ' A' ' 14' ' ' CYS 2.083 0.0 OUTLIER -78.09 -53.48 1.4 Allowed Pre-proline 0 CA--C 1.453 -2.784 1 N-CA-C 126.396 5.702 . . . . 0.0 126.396 174.452 119.204 -9.416 -106.68 154.455 1.997 105.523 -172.037 121.816 5 4 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . 0.497 ' O ' ' CG2' ' A' ' 1' ' ' ILE . 1.9 Cg_endo -84.5 -33.34 2.57 Favored 'Cis proline' 0 C--N 1.395 3.021 0 O-C-N 114.653 -3.393 . . . . 0.0 110.905 -16.044 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -54.12 120.83 6.98 Favored 'General case' 0 C--N 1.381 1.948 0 C-N-CA 128.88 2.872 . . . . 0.0 114.332 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . 0.629 ' C ' ' CD2' ' A' ' 18' ' ' HIS . . . 133.63 -27.12 3.4 Favored Glycine 0 CA--C 1.563 3.038 0 CA-C-N 111.726 -2.488 . . . . 0.0 112.116 178.837 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . 0.629 ' CD2' ' C ' ' A' ' 17' ' ' GLY . 0.1 OUTLIER 55.18 52.52 11.48 Favored 'General case' 1 N--CA 1.542 4.166 0 C-N-CA 126.306 1.842 . . . . 0.0 111.48 174.134 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . 1.52 ' N ' ' CD1' ' A' ' 1' ' ' ILE . 0.5 OUTLIER 171.41 171.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.679 0 C-N-CA 118.789 -1.164 . . . . 0.0 113.671 -179.957 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . 0.631 ' N ' ' CG1' ' A' ' 19' ' ' VAL . 24.2 m -138.68 114.6 10.06 Favored 'General case' 0 C--O 1.209 -1.077 1 O-C-N 130.912 5.133 . . . . 0.0 108.601 177.368 -48.795 -18.12 -92.748 100.834 2.034 103.516 -28.211 -56.352 3 3 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TYR . . . . . 0.842 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -111.89 129.35 56.19 Favored 'General case' 0 C--N 1.296 -1.751 1 O-C-N 131.181 5.301 . . . . 0.0 111.464 177.852 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.94 140.05 52.91 Favored 'General case' 0 CA--C 1.619 3.634 0 CA-C-N 112.889 -1.96 . . . . 0.0 108.632 -177.694 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.2 pttt -154.36 152.61 30.42 Favored 'General case' 1 N--CA 1.555 4.81 0 C-N-CA 117.961 -1.496 . . . . 0.0 110.121 179.296 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . 0.737 ' OG1' ' CD ' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -142.64 155.87 44.99 Favored 'General case' 0 C--O 1.285 2.953 0 CA-C-N 111.882 -2.417 . . . . 0.0 111.142 -176.838 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.7 p90 -153.09 161.28 42.67 Favored 'General case' 0 N--CA 1.528 3.428 0 O-C-N 125.134 1.521 . . . . 0.0 107.089 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.57 166.43 10.56 Favored 'General case' 1 N--CA 1.541 4.101 0 CA-C-O 123.95 1.833 . . . . 0.0 110.407 -175.635 -96.267 -34.845 -85.869 103.581 2.085 99.299 -168.013 -132.623 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . 0.729 ' O ' ' N ' ' A' ' 29' ' ' PHE . 19.3 p-10 -172.05 143.07 1.51 Allowed 'General case' 0 CA--C 1.625 3.832 0 CA-C-N 112.993 -1.912 . . . . 0.0 107.175 -178.495 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 1.77 -50.51 0.0 OUTLIER 'General case' 0 N--CA 1.535 3.79 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . 0.729 ' N ' ' O ' ' A' ' 27' ' ' ASP . 22.9 m-85 -93.58 -0.11 56.35 Favored 'General case' 0 CA--C 1.62 3.671 0 O-C-N 127.508 3.005 . . . . 0.0 116.449 -172.633 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . 0.491 ' SG ' ' CG ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -50.83 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.657 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.519 -132.623 -168.013 -85.869 99.299 2.085 103.581 -34.845 -96.267 3 3 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 30' ' ' CYS . 1.6 m -5.64 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.699 0 O-C-N 127.545 3.028 . . . . 0.0 111.853 178.016 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 0.0 OUTLIER -72.52 2.54 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 117.577 2.436 . . . . 0.0 117.577 -173.212 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . 0.641 ' CG ' ' O ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -149.8 -0.2 0.46 Allowed 'General case' 0 N--CA 1.39 -3.454 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -177.416 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 30' ' ' CYS . . . 108.75 161.06 20.04 Favored Glycine 0 N--CA 1.513 3.814 0 C-N-CA 119.499 -1.334 . . . . 0.0 111.325 177.573 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . 0.759 ' NZ ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -84.51 165.4 18.1 Favored 'General case' 1 C--O 1.306 4.057 0 O-C-N 127.956 2.798 . . . . 0.0 110.823 -176.716 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -94.45 124.49 38.51 Favored 'General case' 0 C--N 1.274 -2.716 0 N-CA-C 102.935 -2.987 . . . . 0.0 102.935 174.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.68 141.73 45.48 Favored 'Isoleucine or valine' 0 C--O 1.272 2.278 0 CA-C-N 114.446 -1.252 . . . . 0.0 114.059 -172.824 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -135.06 131.13 36.64 Favored 'General case' 1 CA--C 1.63 4.025 0 O-C-N 120.166 -1.584 . . . . 0.0 107.504 174.566 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . 0.648 ' N ' ' CG2' ' A' ' 6' ' ' THR . 0.8 OUTLIER -119.19 123.23 43.83 Favored 'General case' 0 N--CA 1.516 2.868 1 O-C-N 129.544 4.278 . . . . 0.0 114.58 179.825 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -156.88 168.52 33.93 Favored Glycine 2 N--CA 1.547 6.043 0 O-C-N 119.775 -1.828 . . . . 0.0 116.56 -175.596 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' CYS . . . . . 0.727 ' SG ' ' O ' ' A' ' 41' ' ' CYS . 0.0 OUTLIER -109.47 104.58 13.67 Favored 'General case' 0 C--O 1.291 3.26 1 O-C-N 131.399 4.823 . . . . 0.0 109.67 177.026 121.816 -172.037 -106.68 105.523 1.997 154.455 -9.416 119.204 4 4 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' O ' ' CA ' ' A' ' 17' ' ' GLY . . . -125.31 -124.83 0.25 Allowed 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 124.864 1.353 . . . . 0.0 108.21 172.688 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 44' ' ' THR . . . -174.21 103.92 0.11 Allowed 'General case' 0 C--O 1.196 -1.724 0 O-C-N 121.2 -0.937 . . . . 0.0 109.131 179.519 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . 0.504 ' CB ' ' O ' ' A' ' 43' ' ' ALA . 0.7 OUTLIER 109.45 146.85 0.0 OUTLIER 'General case' 0 C--N 1.373 1.602 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 -174.43 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.31 115.1 16.97 Favored Pre-proline 0 CA--C 1.598 2.791 0 N-CA-C 101.791 -3.411 . . . . 0.0 101.791 177.01 -93.238 -57.855 138.847 104.825 2.037 103.647 137.064 -28.175 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -59.6 161.99 16.37 Favored 'Trans proline' 0 C--O 1.3 3.591 0 O-C-N 116.945 -2.187 . . . . 0.0 109.464 -178.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -55.9 152.26 10.3 Favored 'General case' 0 C--O 1.3 3.724 1 O-C-N 129.768 4.418 . . . . 0.0 108.542 177.936 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . 0.74 ' CG2' ' N ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -110.81 -82.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.668 0 O-C-N 128.039 3.337 . . . . 0.0 105.803 176.27 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LYS . . . . . 0.74 ' N ' ' CG2' ' A' ' 48' ' ' VAL . 0.0 OUTLIER 47.65 112.58 0.0 OUTLIER 'General case' 1 CA--C 1.634 4.203 0 O-C-N 125.136 1.522 . . . . 0.0 111.07 177.991 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' THR . . . . . 0.981 ' CG2' ' N ' ' A' ' 51' ' ' GLY 0.348 0.9 OUTLIER 66.85 -142.51 0.15 Allowed 'General case' 0 CA--C 1.615 3.477 3 O-C-N 140.045 10.84 . . . . 0.0 112.912 178.465 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . 0.981 ' N ' ' CG2' ' A' ' 50' ' ' THR . . . -56.31 77.57 0.01 OUTLIER Glycine 2 N--CA 1.593 9.126 0 O-C-N 119.628 -1.92 . . . . 0.0 115.088 -174.799 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . 0.25 2.9 t -156.08 161.29 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.992 0 CA-C-N 112.37 -1.915 . . . . 0.0 112.383 -176.772 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . 0.587 ' OD1' ' CD ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -145.13 136.94 25.55 Favored 'General case' 0 C--N 1.392 2.445 0 O-C-N 126.59 2.431 . . . . 0.0 107.48 177.52 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ILE . . . . . 0.525 ' CG1' ' N ' ' A' ' 55' ' ' GLN . 0.1 OUTLIER -151.08 167.14 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.276 -2.608 0 CA-C-O 125.161 2.41 . . . . 0.0 113.295 178.935 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' GLN . . . . . 0.525 ' N ' ' CG1' ' A' ' 54' ' ' ILE . 6.0 tt0 -149.61 162.85 39.37 Favored 'General case' 0 C--O 1.262 1.743 0 CA-C-N 112.44 -2.164 . . . . 0.0 110.891 178.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.1 m -145.69 154.63 42.3 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 127.106 2.754 . . . . 0.0 112.529 -178.273 -28.175 137.064 138.847 103.647 2.037 104.825 -57.855 -93.238 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 62' ' ' CYS . 27.9 p -151.04 154.14 36.46 Favored 'General case' 0 CA--C 1.59 2.513 1 O-C-N 129.575 4.297 . . . . 0.0 110.207 175.603 60.572 127.162 114.094 103.316 1.991 105.78 102.66 55.676 3 3 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -71.35 -62.49 1.39 Allowed 'General case' 0 N--CA 1.382 -3.84 2 O-C-N 130.91 5.131 . . . . 0.0 107.49 -178.056 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . 0.664 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 0.2 OUTLIER -22.58 89.98 0.01 OUTLIER 'General case' 0 C--O 1.299 3.685 0 O-C-N 128.211 3.444 . . . . 0.0 119.113 176.45 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.552 ' C ' ' O ' ' A' ' 59' ' ' THR . 0.6 OUTLIER -16.35 -73.18 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 O-C-N 119.607 -1.933 . . . . 0.0 112.401 -179.592 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASN . . . . . 0.594 ' O ' ' CE1' ' A' ' 4' ' ' PHE 0.306 0.5 OUTLIER -41.59 -33.02 0.41 Allowed 'General case' 0 CA--C 1.589 2.47 1 O-C-N 129.278 4.111 . . . . 0.0 120.978 -179.818 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' CYS . . . . . 0.693 ' O ' ' SG ' ' A' ' 57' ' ' CYS . 22.1 p -92.21 96.02 10.06 Favored 'General case' 0 C--O 1.247 0.961 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 -169.944 55.676 102.66 114.094 105.78 1.991 103.316 127.162 60.572 3 3 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . 0.923 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 3.3 t-20 -161.78 10.22 0.0 OUTLIER Pre-proline 0 CA--C 1.571 1.759 0 CA-C-O 123.286 1.517 . . . . 0.0 110.368 179.038 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . 0.923 ' CD ' ' N ' ' A' ' 63' ' ' ASN . 2.0 Cg_endo -59.56 -172.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.926 0 C-N-CA 123.188 2.592 . . . . 0.0 115.732 -175.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -79.72 102.35 1.12 Allowed Pre-proline 0 N--CA 1.518 2.952 0 O-C-N 128.138 3.399 . . . . 0.0 109.73 176.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . 0.516 ' O ' ' C ' ' A' ' 67' ' ' THR . 1.8 Cg_endo -66.96 152.21 80.76 Favored 'Trans proline' 0 N--CA 1.527 3.445 0 C-N-CA 124.873 3.715 . . . . 0.0 116.239 -175.598 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . 1.072 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -21.04 106.97 0.02 OUTLIER 'General case' 0 C--O 1.278 2.562 0 O-C-N 125.346 1.654 . . . . 0.0 106.72 178.734 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 7.43 -13.64 0.0 OUTLIER 'General case' 0 CA--C 1.592 2.564 0 C-N-CA 129.014 2.926 . . . . 0.0 116.524 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LYS . . . . . 1.072 ' N ' ' O ' ' A' ' 67' ' ' THR . 8.8 tttt -152.89 -24.15 0.16 Allowed 'General case' 0 N--CA 1.536 3.825 0 C-N-CA 116.212 -2.195 . . . . 0.0 113.848 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . 0.619 ' CA ' ' OXT' ' A' ' 71' ' ' PRO . 0.0 OUTLIER 80.75 81.31 0.09 OUTLIER Pre-proline 1 N--CA 1.579 6.012 1 N-CA-C 95.064 -5.902 . . . . 0.0 95.064 -169.043 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . 1.05 ' C ' ' OG1' ' A' ' 67' ' ' THR . 5.2 Cg_exo . . . . . 2 CA--C 1.373 -7.567 0 CA-C-O 111.807 -3.497 . . . . 0.0 114.911 22.376 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ILE . . . . . 1.52 ' CD1' ' N ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.27 2.168 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . 1.117 ' HD3' ' HB3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -108.34 63.07 0.61 Allowed 'General case' 0 C--O 1.252 1.23 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 -178.164 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . 1.458 ' N ' ' CA ' ' A' ' 3' ' ' CYS 1.122 61.5 m -37.44 119.07 0.68 Allowed 'General case' 2 N--CA 1.79 16.553 3 C-N-CA 142.726 8.41 . . . . 0.0 91.62 171.129 -56.352 -28.211 -92.748 103.516 2.034 100.834 -18.12 -48.795 5 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PHE . . . . . 1.145 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -56.14 -60.29 3.7 Favored 'General case' 0 C--N 1.295 -1.788 1 CA-C-N 127.181 4.537 . . . . 0.0 109.121 156.618 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . 0.657 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 6.4 mt 65.14 160.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.276 -2.62 0 C-N-CA 126.37 1.868 . . . . 0.0 109.817 179.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . 0.935 ' CG2' ' H ' ' A' ' 39' ' ' LEU . 67.1 p -100.73 -179.34 0.8 Allowed Pre-proline 0 C--O 1.301 3.796 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . 0.763 ' HA ' ' HB ' ' A' ' 6' ' ' THR 0.278 1.6 Cg_endo -77.9 -18.96 21.55 Favored 'Cis proline' 0 N--CA 1.439 -1.697 0 N-CA-C 106.915 -1.994 . . . . 0.0 106.915 -16.157 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' H ' ' CD ' ' A' ' 7' ' ' PRO . 3.3 m-20 -44.31 55.63 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.697 2 O-C-N 135.688 8.118 . . . . 0.0 118.282 -174.433 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm 44.66 -116.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.725 0 O-C-N 124.954 1.409 . . . . 0.0 108.743 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . 0.648 ' HB ' ' HE2' ' A' ' 4' ' ' PHE 0.286 54.4 p -116.57 149.57 39.43 Favored 'General case' 1 N--CA 1.563 5.2 0 C-N-CA 130.151 3.381 . . . . 0.0 105.134 -179.148 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 11' ' ' SER . . . . . 0.803 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -177.61 -140.81 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 125.289 1.618 . . . . 0.0 110.406 -179.803 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . 1.117 ' HB3' ' HD3' ' A' ' 2' ' ' ARG . 28.9 mttt 163.78 -153.25 0.0 OUTLIER 'General case' 0 N--CA 1.536 3.864 0 O-C-N 124.294 0.996 . . . . 0.0 112.324 176.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . 0.735 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 30.4 t70 38.64 97.46 0.0 OUTLIER 'General case' 1 N--CA 1.551 4.607 0 C-N-CA 129.17 2.988 . . . . 0.0 114.073 -179.678 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 1.093 ' CB ' ' SG ' ' A' ' 14' ' ' CYS 2.083 0.0 OUTLIER -78.09 -53.48 1.4 Allowed Pre-proline 0 CA--C 1.453 -2.784 1 N-CA-C 126.396 5.702 . . . . 0.0 126.396 174.452 119.204 -9.416 -106.68 154.455 1.997 105.523 -172.037 121.816 5 4 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . 0.748 ' O ' HG23 ' A' ' 1' ' ' ILE . 1.9 Cg_endo -84.5 -33.34 2.57 Favored 'Cis proline' 0 C--N 1.395 3.021 0 O-C-N 114.653 -3.393 . . . . 0.0 110.905 -16.044 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -54.12 120.83 6.98 Favored 'General case' 0 C--N 1.381 1.948 0 C-N-CA 128.88 2.872 . . . . 0.0 114.332 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . 0.705 ' HA2' ' HB2' ' A' ' 43' ' ' ALA . . . 133.63 -27.12 3.4 Favored Glycine 0 CA--C 1.563 3.038 0 CA-C-N 111.726 -2.488 . . . . 0.0 112.116 178.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . 0.843 ' HA ' HG21 ' A' ' 1' ' ' ILE . 0.0 OUTLIER 55.18 52.52 11.48 Favored 'General case' 1 N--CA 1.542 4.166 0 C-N-CA 126.306 1.842 . . . . 0.0 111.48 174.134 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . 1.52 ' N ' ' CD1' ' A' ' 1' ' ' ILE . 0.5 OUTLIER 171.41 171.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.679 0 C-N-CA 118.789 -1.164 . . . . 0.0 113.671 -179.957 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . 0.85 ' N ' HG13 ' A' ' 19' ' ' VAL . 24.2 m -138.68 114.6 10.06 Favored 'General case' 0 C--O 1.209 -1.077 1 O-C-N 130.912 5.133 . . . . 0.0 108.601 177.368 -48.795 -18.12 -92.748 100.834 2.034 103.516 -28.211 -56.352 3 3 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TYR . . . . . 0.842 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -111.89 129.35 56.19 Favored 'General case' 0 C--N 1.296 -1.751 1 O-C-N 131.181 5.301 . . . . 0.0 111.464 177.852 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . 0.442 HG22 HD22 ' A' ' 63' ' ' ASN . 0.0 OUTLIER -121.94 140.05 52.91 Favored 'General case' 0 CA--C 1.619 3.634 0 CA-C-N 112.889 -1.96 . . . . 0.0 108.632 -177.694 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . 1.112 ' HB3' ' HB ' ' A' ' 54' ' ' ILE . 14.2 pttt -154.36 152.61 30.42 Favored 'General case' 1 N--CA 1.555 4.81 0 C-N-CA 117.961 -1.496 . . . . 0.0 110.121 179.296 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . 0.85 ' OG1' ' HD3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -142.64 155.87 44.99 Favored 'General case' 0 C--O 1.285 2.953 0 CA-C-N 111.882 -2.417 . . . . 0.0 111.142 -176.838 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.7 p90 -153.09 161.28 42.67 Favored 'General case' 0 N--CA 1.528 3.428 0 O-C-N 125.134 1.521 . . . . 0.0 107.089 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.57 166.43 10.56 Favored 'General case' 1 N--CA 1.541 4.101 0 CA-C-O 123.95 1.833 . . . . 0.0 110.407 -175.635 -96.267 -34.845 -85.869 103.581 2.085 99.299 -168.013 -132.623 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . 0.729 ' O ' ' N ' ' A' ' 29' ' ' PHE . 19.3 p-10 -172.05 143.07 1.51 Allowed 'General case' 0 CA--C 1.625 3.832 0 CA-C-N 112.993 -1.912 . . . . 0.0 107.175 -178.495 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 1.77 -50.51 0.0 OUTLIER 'General case' 0 N--CA 1.535 3.79 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . 0.729 ' N ' ' O ' ' A' ' 27' ' ' ASP . 22.9 m-85 -93.58 -0.11 56.35 Favored 'General case' 0 CA--C 1.62 3.671 0 O-C-N 127.508 3.005 . . . . 0.0 116.449 -172.633 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . 0.712 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -50.83 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.657 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.519 -132.623 -168.013 -85.869 99.299 2.085 103.581 -34.845 -96.267 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 30' ' ' CYS . 1.6 m -5.64 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.699 0 O-C-N 127.545 3.028 . . . . 0.0 111.853 178.016 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . 0.489 HD13 ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -72.52 2.54 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 117.577 2.436 . . . . 0.0 117.577 -173.212 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . 0.981 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -149.8 -0.2 0.46 Allowed 'General case' 0 N--CA 1.39 -3.454 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -177.416 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . 0.712 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . 108.75 161.06 20.04 Favored Glycine 0 N--CA 1.513 3.814 0 C-N-CA 119.499 -1.334 . . . . 0.0 111.325 177.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . 0.85 ' HD3' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -84.51 165.4 18.1 Favored 'General case' 1 C--O 1.306 4.057 0 O-C-N 127.956 2.798 . . . . 0.0 110.823 -176.716 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -94.45 124.49 38.51 Favored 'General case' 0 C--N 1.274 -2.716 0 N-CA-C 102.935 -2.987 . . . . 0.0 102.935 174.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.68 141.73 45.48 Favored 'Isoleucine or valine' 0 C--O 1.272 2.278 0 CA-C-N 114.446 -1.252 . . . . 0.0 114.059 -172.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -135.06 131.13 36.64 Favored 'General case' 1 CA--C 1.63 4.025 0 O-C-N 120.166 -1.584 . . . . 0.0 107.504 174.566 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . 0.935 ' H ' ' CG2' ' A' ' 6' ' ' THR . 0.8 OUTLIER -119.19 123.23 43.83 Favored 'General case' 0 N--CA 1.516 2.868 1 O-C-N 129.544 4.278 . . . . 0.0 114.58 179.825 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 5' ' ' ILE . . . -156.88 168.52 33.93 Favored Glycine 2 N--CA 1.547 6.043 0 O-C-N 119.775 -1.828 . . . . 0.0 116.56 -175.596 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' CYS . . . . . 1.057 ' HB2' ' HB2' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -109.47 104.58 13.67 Favored 'General case' 0 C--O 1.291 3.26 1 O-C-N 131.399 4.823 . . . . 0.0 109.67 177.026 121.816 -172.037 -106.68 105.523 1.997 154.455 -9.416 119.204 4 4 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . 0.61 ' O ' ' HA3' ' A' ' 17' ' ' GLY . . . -125.31 -124.83 0.25 Allowed 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 124.864 1.353 . . . . 0.0 108.21 172.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . 0.884 ' O ' ' HB ' ' A' ' 44' ' ' THR . . . -174.21 103.92 0.11 Allowed 'General case' 0 C--O 1.196 -1.724 0 O-C-N 121.2 -0.937 . . . . 0.0 109.131 179.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . 0.884 ' HB ' ' O ' ' A' ' 43' ' ' ALA . 0.7 OUTLIER 109.45 146.85 0.0 OUTLIER 'General case' 0 C--N 1.373 1.602 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 -174.43 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.31 115.1 16.97 Favored Pre-proline 0 CA--C 1.598 2.791 0 N-CA-C 101.791 -3.411 . . . . 0.0 101.791 177.01 -93.238 -57.855 138.847 104.825 2.037 103.647 137.064 -28.175 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HG3' ' CD1' ' A' ' 21' ' ' TYR . 5.7 Cg_exo -59.6 161.99 16.37 Favored 'Trans proline' 0 C--O 1.3 3.591 0 O-C-N 116.945 -2.187 . . . . 0.0 109.464 -178.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -55.9 152.26 10.3 Favored 'General case' 0 C--O 1.3 3.724 1 O-C-N 129.768 4.418 . . . . 0.0 108.542 177.936 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . 0.93 HG22 ' N ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -110.81 -82.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.668 0 O-C-N 128.039 3.337 . . . . 0.0 105.803 176.27 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LYS . . . . . 0.93 ' N ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER 47.65 112.58 0.0 OUTLIER 'General case' 1 CA--C 1.634 4.203 0 O-C-N 125.136 1.522 . . . . 0.0 111.07 177.991 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 50' ' ' THR . . . . . 1.188 ' CG2' ' H ' ' A' ' 51' ' ' GLY 0.348 0.9 OUTLIER 66.85 -142.51 0.15 Allowed 'General case' 0 CA--C 1.615 3.477 3 O-C-N 140.045 10.84 . . . . 0.0 112.912 178.465 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . 1.188 ' H ' ' CG2' ' A' ' 50' ' ' THR . . . -56.31 77.57 0.01 OUTLIER Glycine 2 N--CA 1.593 9.126 0 O-C-N 119.628 -1.92 . . . . 0.0 115.088 -174.799 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 53' ' ' ASP 0.25 2.9 t -156.08 161.29 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.992 0 CA-C-N 112.37 -1.915 . . . . 0.0 112.383 -176.772 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . 0.95 ' OD1' ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -145.13 136.94 25.55 Favored 'General case' 0 C--N 1.392 2.445 0 O-C-N 126.59 2.431 . . . . 0.0 107.48 177.52 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ILE . . . . . 1.112 ' HB ' ' HB3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -151.08 167.14 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.276 -2.608 0 CA-C-O 125.161 2.41 . . . . 0.0 113.295 178.935 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 55' ' ' GLN . . . . . 0.713 ' N ' HG13 ' A' ' 54' ' ' ILE . 43.9 tt0 -149.61 162.85 39.37 Favored 'General case' 0 C--O 1.262 1.743 0 CA-C-N 112.44 -2.164 . . . . 0.0 110.891 178.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.1 m -145.69 154.63 42.3 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 127.106 2.754 . . . . 0.0 112.529 -178.273 -28.175 137.064 138.847 103.647 2.037 104.825 -57.855 -93.238 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 62' ' ' CYS . 27.9 p -151.04 154.14 36.46 Favored 'General case' 0 CA--C 1.59 2.513 1 O-C-N 129.575 4.297 . . . . 0.0 110.207 175.603 60.572 127.162 114.094 103.316 1.991 105.78 102.66 55.676 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -71.35 -62.49 1.39 Allowed 'General case' 0 N--CA 1.382 -3.84 2 O-C-N 130.91 5.131 . . . . 0.0 107.49 -178.056 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . 0.895 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 0.2 OUTLIER -22.58 89.98 0.01 OUTLIER 'General case' 0 C--O 1.299 3.685 0 O-C-N 128.211 3.444 . . . . 0.0 119.113 176.45 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 1.037 ' HB3' ' HB2' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -16.35 -73.18 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 O-C-N 119.607 -1.933 . . . . 0.0 112.401 -179.592 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASN . . . . . 0.946 ' HA ' ' HE2' ' A' ' 12' ' ' LYS 0.306 0.5 OUTLIER -41.59 -33.02 0.41 Allowed 'General case' 0 CA--C 1.589 2.47 1 O-C-N 129.278 4.111 . . . . 0.0 120.978 -179.818 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 62' ' ' CYS . . . . . 0.895 ' SG ' ' HB ' ' A' ' 59' ' ' THR . 22.1 p -92.21 96.02 10.06 Favored 'General case' 0 C--O 1.247 0.961 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 -169.944 55.676 102.66 114.094 105.78 1.991 103.316 127.162 60.572 3 3 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . 1.145 ' HB3' ' HB2' ' A' ' 4' ' ' PHE . 3.3 t-20 -161.78 10.22 0.0 OUTLIER Pre-proline 0 CA--C 1.571 1.759 0 CA-C-O 123.286 1.517 . . . . 0.0 110.368 179.038 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . 1.141 ' HD3' ' H ' ' A' ' 63' ' ' ASN . 2.0 Cg_endo -59.56 -172.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.926 0 C-N-CA 123.188 2.592 . . . . 0.0 115.732 -175.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -79.72 102.35 1.12 Allowed Pre-proline 0 N--CA 1.518 2.952 0 O-C-N 128.138 3.399 . . . . 0.0 109.73 176.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HD3' ' O ' ' A' ' 64' ' ' PRO . 1.8 Cg_endo -66.96 152.21 80.76 Favored 'Trans proline' 0 N--CA 1.527 3.445 0 C-N-CA 124.873 3.715 . . . . 0.0 116.239 -175.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . 1.072 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -21.04 106.97 0.02 OUTLIER 'General case' 0 C--O 1.278 2.562 0 O-C-N 125.346 1.654 . . . . 0.0 106.72 178.734 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 7.43 -13.64 0.0 OUTLIER 'General case' 0 CA--C 1.592 2.564 0 C-N-CA 129.014 2.926 . . . . 0.0 116.524 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LYS . . . . . 1.072 ' N ' ' O ' ' A' ' 67' ' ' THR . 8.8 tttt -152.89 -24.15 0.16 Allowed 'General case' 0 N--CA 1.536 3.825 0 C-N-CA 116.212 -2.195 . . . . 0.0 113.848 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . 0.95 ' HD2' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 80.75 81.31 0.09 OUTLIER Pre-proline 1 N--CA 1.579 6.012 1 N-CA-C 95.064 -5.902 . . . . 0.0 95.064 -169.043 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . 1.05 ' C ' ' OG1' ' A' ' 67' ' ' THR . 5.2 Cg_exo . . . . . 2 CA--C 1.373 -7.567 0 CA-C-O 111.807 -3.497 . . . . 0.0 114.911 22.376 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ILE . . . . . 1.52 ' CD1' ' N ' ' A' ' 19' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.27 2.168 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . 1.117 ' HD3' ' HB3' ' A' ' 12' ' ' LYS . 0.3 OUTLIER -108.34 63.07 0.61 Allowed 'General case' 0 C--O 1.252 1.23 0 N-CA-C 116.786 2.143 . . . . 0.0 116.786 -178.164 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . 1.458 ' N ' ' CA ' ' A' ' 3' ' ' CYS 1.122 61.5 m -37.44 119.07 0.68 Allowed 'General case' 2 N--CA 1.79 16.553 3 C-N-CA 142.726 8.41 . . . . 0.0 91.62 171.129 -56.352 -28.211 -92.748 103.516 2.034 100.834 -18.12 -48.795 5 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.145 ' HB2' ' HB3' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -56.14 -60.29 3.7 Favored 'General case' 0 C--N 1.295 -1.788 1 CA-C-N 127.181 4.537 . . . . 0.0 109.121 156.618 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.657 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 6.4 mt 65.14 160.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.276 -2.62 0 C-N-CA 126.37 1.868 . . . . 0.0 109.817 179.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . 0.935 ' CG2' ' H ' ' A' ' 39' ' ' LEU . 67.1 p -100.73 -179.34 0.8 Allowed Pre-proline 0 C--O 1.301 3.796 0 N-CA-C 107.932 -1.136 . . . . 0.0 107.932 179.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.763 ' HA ' ' HB ' ' A' ' 6' ' ' THR 0.278 1.6 Cg_endo -77.9 -18.96 21.55 Favored 'Cis proline' 0 N--CA 1.439 -1.697 0 N-CA-C 106.915 -1.994 . . . . 0.0 106.915 -16.157 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.408 ' H ' ' CD ' ' A' ' 7' ' ' PRO . 3.3 m-20 -44.31 55.63 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.697 2 O-C-N 135.688 8.118 . . . . 0.0 118.282 -174.433 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mm 44.66 -116.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.514 2.725 0 O-C-N 124.954 1.409 . . . . 0.0 108.743 176.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . 0.648 ' HB ' ' HE2' ' A' ' 4' ' ' PHE 0.286 54.4 p -116.57 149.57 39.43 Favored 'General case' 1 N--CA 1.563 5.2 0 C-N-CA 130.151 3.381 . . . . 0.0 105.134 -179.148 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' SER . . . . . 0.803 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -177.61 -140.81 0.01 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 125.289 1.618 . . . . 0.0 110.406 -179.803 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . 1.117 ' HB3' ' HD3' ' A' ' 2' ' ' ARG . 28.9 mttt 163.78 -153.25 0.0 OUTLIER 'General case' 0 N--CA 1.536 3.864 0 O-C-N 124.294 0.996 . . . . 0.0 112.324 176.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.735 ' O ' ' CB ' ' A' ' 14' ' ' CYS . 30.4 t70 38.64 97.46 0.0 OUTLIER 'General case' 1 N--CA 1.551 4.607 0 C-N-CA 129.17 2.988 . . . . 0.0 114.073 -179.678 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 1.093 ' CB ' ' SG ' ' A' ' 14' ' ' CYS 2.083 0.0 OUTLIER -78.09 -53.48 1.4 Allowed Pre-proline 0 CA--C 1.453 -2.784 1 N-CA-C 126.396 5.702 . . . . 0.0 126.396 174.452 119.204 -9.416 -106.68 154.455 1.997 105.523 -172.037 121.816 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.748 ' O ' HG23 ' A' ' 1' ' ' ILE . 1.9 Cg_endo -84.5 -33.34 2.57 Favored 'Cis proline' 0 C--N 1.395 3.021 0 O-C-N 114.653 -3.393 . . . . 0.0 110.905 -16.044 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -54.12 120.83 6.98 Favored 'General case' 0 C--N 1.381 1.948 0 C-N-CA 128.88 2.872 . . . . 0.0 114.332 -179.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.705 ' HA2' ' HB2' ' A' ' 43' ' ' ALA . . . 133.63 -27.12 3.4 Favored Glycine 0 CA--C 1.563 3.038 0 CA-C-N 111.726 -2.488 . . . . 0.0 112.116 178.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.843 ' HA ' HG21 ' A' ' 1' ' ' ILE . 0.1 OUTLIER 55.18 52.52 11.48 Favored 'General case' 1 N--CA 1.542 4.166 0 C-N-CA 126.306 1.842 . . . . 0.0 111.48 174.134 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . 1.52 ' N ' ' CD1' ' A' ' 1' ' ' ILE . 0.5 OUTLIER 171.41 171.98 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.513 2.679 0 C-N-CA 118.789 -1.164 . . . . 0.0 113.671 -179.957 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.85 ' N ' HG13 ' A' ' 19' ' ' VAL . 24.2 m -138.68 114.6 10.06 Favored 'General case' 0 C--O 1.209 -1.077 1 O-C-N 130.912 5.133 . . . . 0.0 108.601 177.368 -48.795 -18.12 -92.748 100.834 2.034 103.516 -28.211 -56.352 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.842 ' O ' ' CD2' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -111.89 129.35 56.19 Favored 'General case' 0 C--N 1.296 -1.751 1 O-C-N 131.181 5.301 . . . . 0.0 111.464 177.852 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . 0.442 HG22 HD22 ' A' ' 63' ' ' ASN . 0.0 OUTLIER -121.94 140.05 52.91 Favored 'General case' 0 CA--C 1.619 3.634 0 CA-C-N 112.889 -1.96 . . . . 0.0 108.632 -177.694 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . 1.112 ' HB3' ' HB ' ' A' ' 54' ' ' ILE . 14.2 pttt -154.36 152.61 30.42 Favored 'General case' 1 N--CA 1.555 4.81 0 C-N-CA 117.961 -1.496 . . . . 0.0 110.121 179.296 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . 0.85 ' OG1' ' HD3' ' A' ' 35' ' ' LYS . 0.5 OUTLIER -142.64 155.87 44.99 Favored 'General case' 0 C--O 1.285 2.953 0 CA-C-N 111.882 -2.417 . . . . 0.0 111.142 -176.838 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.7 p90 -153.09 161.28 42.67 Favored 'General case' 0 N--CA 1.528 3.428 0 O-C-N 125.134 1.521 . . . . 0.0 107.089 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 1.2 m -106.57 166.43 10.56 Favored 'General case' 1 N--CA 1.541 4.101 0 CA-C-O 123.95 1.833 . . . . 0.0 110.407 -175.635 -96.267 -34.845 -85.869 103.581 2.085 99.299 -168.013 -132.623 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.729 ' O ' ' N ' ' A' ' 29' ' ' PHE . 19.3 p-10 -172.05 143.07 1.51 Allowed 'General case' 0 CA--C 1.625 3.832 0 CA-C-N 112.993 -1.912 . . . . 0.0 107.175 -178.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . 1.77 -50.51 0.0 OUTLIER 'General case' 0 N--CA 1.535 3.79 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -178.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.729 ' N ' ' O ' ' A' ' 27' ' ' ASP . 22.9 m-85 -93.58 -0.11 56.35 Favored 'General case' 0 CA--C 1.62 3.671 0 O-C-N 127.508 3.005 . . . . 0.0 116.449 -172.633 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.712 ' HA ' ' O ' ' A' ' 34' ' ' GLY . 0.1 OUTLIER -50.83 -91.41 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.657 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.519 -132.623 -168.013 -85.869 99.299 2.085 103.581 -34.845 -96.267 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . 0.46 ' C ' ' O ' ' A' ' 30' ' ' CYS . 1.6 m -5.64 -89.09 0.0 OUTLIER 'General case' 0 C--N 1.274 -2.699 0 O-C-N 127.545 3.028 . . . . 0.0 111.853 178.016 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.489 HD13 ' N ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -72.52 2.54 1.06 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 N-CA-C 117.577 2.436 . . . . 0.0 117.577 -173.212 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.981 ' O ' ' HG3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -149.8 -0.2 0.46 Allowed 'General case' 0 N--CA 1.39 -3.454 0 N-CA-C 115.888 1.81 . . . . 0.0 115.888 -177.416 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.712 ' O ' ' HA ' ' A' ' 30' ' ' CYS . . . 108.75 161.06 20.04 Favored Glycine 0 N--CA 1.513 3.814 0 C-N-CA 119.499 -1.334 . . . . 0.0 111.325 177.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.85 ' HD3' ' OG1' ' A' ' 24' ' ' THR . 0.1 OUTLIER -84.51 165.4 18.1 Favored 'General case' 1 C--O 1.306 4.057 0 O-C-N 127.956 2.798 . . . . 0.0 110.823 -176.716 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.2 mtt-85 -94.45 124.49 38.51 Favored 'General case' 0 C--N 1.274 -2.716 0 N-CA-C 102.935 -2.987 . . . . 0.0 102.935 174.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -130.68 141.73 45.48 Favored 'Isoleucine or valine' 0 C--O 1.272 2.278 0 CA-C-N 114.446 -1.252 . . . . 0.0 114.059 -172.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -135.06 131.13 36.64 Favored 'General case' 1 CA--C 1.63 4.025 0 O-C-N 120.166 -1.584 . . . . 0.0 107.504 174.566 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.935 ' H ' ' CG2' ' A' ' 6' ' ' THR . 0.8 OUTLIER -119.19 123.23 43.83 Favored 'General case' 0 N--CA 1.516 2.868 1 O-C-N 129.544 4.278 . . . . 0.0 114.58 179.825 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.515 ' HA2' ' HA ' ' A' ' 5' ' ' ILE . . . -156.88 168.52 33.93 Favored Glycine 2 N--CA 1.547 6.043 0 O-C-N 119.775 -1.828 . . . . 0.0 116.56 -175.596 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' CYS . . . . . 1.057 ' HB2' ' HB2' ' A' ' 3' ' ' CYS . 0.0 OUTLIER -109.47 104.58 13.67 Favored 'General case' 0 C--O 1.291 3.26 1 O-C-N 131.399 4.823 . . . . 0.0 109.67 177.026 121.816 -172.037 -106.68 105.523 1.997 154.455 -9.416 119.204 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.61 ' O ' ' HA3' ' A' ' 17' ' ' GLY . . . -125.31 -124.83 0.25 Allowed 'General case' 0 CA--C 1.502 -0.87 0 O-C-N 124.864 1.353 . . . . 0.0 108.21 172.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.884 ' O ' ' HB ' ' A' ' 44' ' ' THR . . . -174.21 103.92 0.11 Allowed 'General case' 0 C--O 1.196 -1.724 0 O-C-N 121.2 -0.937 . . . . 0.0 109.131 179.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . 0.884 ' HB ' ' O ' ' A' ' 43' ' ' ALA . 0.7 OUTLIER 109.45 146.85 0.0 OUTLIER 'General case' 0 C--N 1.373 1.602 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 -174.43 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.3 m -64.31 115.1 16.97 Favored Pre-proline 0 CA--C 1.598 2.791 0 N-CA-C 101.791 -3.411 . . . . 0.0 101.791 177.01 -93.238 -57.855 138.847 104.825 2.037 103.647 137.064 -28.175 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.559 ' HG3' ' CD1' ' A' ' 21' ' ' TYR . 5.7 Cg_exo -59.6 161.99 16.37 Favored 'Trans proline' 0 C--O 1.3 3.591 0 O-C-N 116.945 -2.187 . . . . 0.0 109.464 -178.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -55.9 152.26 10.3 Favored 'General case' 0 C--O 1.3 3.724 1 O-C-N 129.768 4.418 . . . . 0.0 108.542 177.936 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.93 HG22 ' N ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -110.81 -82.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.275 -2.668 0 O-C-N 128.039 3.337 . . . . 0.0 105.803 176.27 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.93 ' N ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER 47.65 112.58 0.0 OUTLIER 'General case' 1 CA--C 1.634 4.203 0 O-C-N 125.136 1.522 . . . . 0.0 111.07 177.991 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' THR . . . . . 1.188 ' CG2' ' H ' ' A' ' 51' ' ' GLY 0.348 0.9 OUTLIER 66.85 -142.51 0.15 Allowed 'General case' 0 CA--C 1.615 3.477 3 O-C-N 140.045 10.84 . . . . 0.0 112.912 178.465 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . 1.188 ' H ' ' CG2' ' A' ' 50' ' ' THR . . . -56.31 77.57 0.01 OUTLIER Glycine 2 N--CA 1.593 9.126 0 O-C-N 119.628 -1.92 . . . . 0.0 115.088 -174.799 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 53' ' ' ASP 0.25 2.9 t -156.08 161.29 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.992 0 CA-C-N 112.37 -1.915 . . . . 0.0 112.383 -176.772 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.95 ' OD1' ' HD2' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -145.13 136.94 25.55 Favored 'General case' 0 C--N 1.392 2.445 0 O-C-N 126.59 2.431 . . . . 0.0 107.48 177.52 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.112 ' HB ' ' HB3' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -151.08 167.14 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.276 -2.608 0 CA-C-O 125.161 2.41 . . . . 0.0 113.295 178.935 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.713 ' N ' HG13 ' A' ' 54' ' ' ILE . 6.0 tt0 -149.61 162.85 39.37 Favored 'General case' 0 C--O 1.262 1.743 0 CA-C-N 112.44 -2.164 . . . . 0.0 110.891 178.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' CYS . . . . . . . . . . . . . 1.1 m -145.69 154.63 42.3 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 127.106 2.754 . . . . 0.0 112.529 -178.273 -28.175 137.064 138.847 103.647 2.037 104.825 -57.855 -93.238 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.693 ' SG ' ' O ' ' A' ' 62' ' ' CYS . 27.9 p -151.04 154.14 36.46 Favored 'General case' 0 CA--C 1.59 2.513 1 O-C-N 129.575 4.297 . . . . 0.0 110.207 175.603 60.572 127.162 114.094 103.316 1.991 105.78 102.66 55.676 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 m -71.35 -62.49 1.39 Allowed 'General case' 0 N--CA 1.382 -3.84 2 O-C-N 130.91 5.131 . . . . 0.0 107.49 -178.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . 0.895 ' HB ' ' SG ' ' A' ' 62' ' ' CYS . 0.2 OUTLIER -22.58 89.98 0.01 OUTLIER 'General case' 0 C--O 1.299 3.685 0 O-C-N 128.211 3.444 . . . . 0.0 119.113 176.45 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 1.037 ' HB3' ' HB2' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -16.35 -73.18 0.01 OUTLIER 'General case' 0 C--N 1.305 -1.338 0 O-C-N 119.607 -1.933 . . . . 0.0 112.401 -179.592 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.946 ' HA ' ' HE2' ' A' ' 12' ' ' LYS 0.306 0.5 OUTLIER -41.59 -33.02 0.41 Allowed 'General case' 0 CA--C 1.589 2.47 1 O-C-N 129.278 4.111 . . . . 0.0 120.978 -179.818 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.895 ' SG ' ' HB ' ' A' ' 59' ' ' THR . 22.1 p -92.21 96.02 10.06 Favored 'General case' 0 C--O 1.247 0.961 1 N-CA-C 121.951 4.056 . . . . 0.0 121.951 -169.944 55.676 102.66 114.094 105.78 1.991 103.316 127.162 60.572 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 1.145 ' HB3' ' HB2' ' A' ' 4' ' ' PHE . 3.3 t-20 -161.78 10.22 0.0 OUTLIER Pre-proline 0 CA--C 1.571 1.759 0 CA-C-O 123.286 1.517 . . . . 0.0 110.368 179.038 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . 1.141 ' HD3' ' H ' ' A' ' 63' ' ' ASN . 2.0 Cg_endo -59.56 -172.85 0.07 OUTLIER 'Trans proline' 0 C--N 1.394 2.926 0 C-N-CA 123.188 2.592 . . . . 0.0 115.732 -175.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -79.72 102.35 1.12 Allowed Pre-proline 0 N--CA 1.518 2.952 0 O-C-N 128.138 3.399 . . . . 0.0 109.73 176.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.609 ' HD3' ' O ' ' A' ' 64' ' ' PRO . 1.8 Cg_endo -66.96 152.21 80.76 Favored 'Trans proline' 0 N--CA 1.527 3.445 0 C-N-CA 124.873 3.715 . . . . 0.0 116.239 -175.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . 1.072 ' O ' ' N ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -21.04 106.97 0.02 OUTLIER 'General case' 0 C--O 1.278 2.562 0 O-C-N 125.346 1.654 . . . . 0.0 106.72 178.734 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.2 ptt180 7.43 -13.64 0.0 OUTLIER 'General case' 0 CA--C 1.592 2.564 0 C-N-CA 129.014 2.926 . . . . 0.0 116.524 -179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LYS . . . . . 1.072 ' N ' ' O ' ' A' ' 67' ' ' THR . 8.8 tttt -152.89 -24.15 0.16 Allowed 'General case' 0 N--CA 1.536 3.825 0 C-N-CA 116.212 -2.195 . . . . 0.0 113.848 -177.386 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.95 ' HD2' ' OD1' ' A' ' 53' ' ' ASP . 0.0 OUTLIER 80.75 81.31 0.09 OUTLIER Pre-proline 1 N--CA 1.579 6.012 1 N-CA-C 95.064 -5.902 . . . . 0.0 95.064 -169.043 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . 1.05 ' C ' ' OG1' ' A' ' 67' ' ' THR . 5.2 Cg_exo . . . . . 2 CA--C 1.373 -7.567 0 CA-C-O 111.807 -3.497 . . . . 0.0 114.911 22.376 . . . . . . . . 2 2 . 1 stop_ save_