data_6qqg_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6qqg _Structure_validation_residue.Date_analyzed 2019-03-06 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' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 N--CA 1.494 2.519 0 CA-C-O 119.17 -0.794 . . . . 42.85 111.771 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -61.4 -36.41 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-O 116.568 -1.682 . . . . 31.75 111.111 -171.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.69 -46.12 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-N 119.982 1.265 . . . . 35.12 109.929 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -60.66 -38.94 86.53 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 118.184 -0.912 . . . . 65.28 109.26 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -89.39 -25.0 21.79 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 117.756 -1.116 . . . . 40.88 111.628 -169.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.6 m -121.86 -17.68 7.27 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 117.03 -1.462 . . . . 27.99 112.797 -172.313 -77.761 -104.485 63.234 102.27 1.998 105.423 58.889 -158.334 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -103.4 -58.26 1.9 Allowed 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.588 1.086 . . . . 26.58 110.705 177.502 173.517 55.639 99.161 105.99 2.009 103.313 -83.717 -57.793 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.62 68.53 Favored 'General case' 0 C--O 1.189 -2.121 0 C-N-CA 126.905 2.082 . . . . 36.27 110.66 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -133.18 171.41 14.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.913 1.285 . . . . 43.48 108.126 176.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.65 129.02 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 108.118 -1.068 . . . . 28.95 108.118 -171.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -69.95 167.41 17.53 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.386 1.074 . . . . 20.06 110.529 179.161 -158.334 58.889 63.234 105.423 1.998 102.27 -104.485 -77.761 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 p -145.75 158.11 43.88 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.329 1.052 . . . . 21.47 108.665 173.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.32 -38.03 89.56 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.338 -0.986 . . . . 21.92 108.338 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -54.56 -48.87 71.52 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 118.537 0.608 . . . . 54.23 109.878 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.2 -55.22 36.4 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 117.426 -1.274 . . . . 28.73 110.471 -173.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 mt -58.17 -44.24 87.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 117.607 -1.187 . . . . 25.88 108.617 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.22 -24.99 64.99 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 117.548 -1.215 . . . . 28.27 110.143 -173.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -57.89 -21.0 40.98 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 117.591 -1.195 . . . . 38.84 109.681 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -107.08 -1.61 21.87 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 116.418 -1.754 . . . . 45.59 112.87 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.64 150.93 44.14 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 120.104 1.32 . . . . 33.01 108.142 170.448 -53.841 -48.865 -74.039 106.211 2.022 101.239 -63.772 -58.345 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 108.147 -1.057 . . . . 51.05 108.147 176.76 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 p90 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 116.808 -1.567 . . . . 35.86 111.469 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 m -95.28 -15.62 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 CA-C-O 116.989 -1.481 . . . . 28.52 111.017 -167.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -91.15 62.97 4.94 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 124.611 1.194 . . . . 27.37 109.139 -174.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -153.29 177.44 10.85 Favored 'General case' 0 C--O 1.268 2.05 0 O-C-N 125.109 1.506 . . . . 44.01 109.095 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -69.18 115.57 8.62 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 125.051 1.47 . . . . 35.1 107.751 169.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.15 111.4 20.96 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.514 1.126 . . . . 26.08 108.319 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.3 m -123.53 143.82 49.95 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 117.957 -1.021 . . . . 27.93 109.422 -174.312 -57.793 -83.717 99.161 103.313 2.009 105.99 55.639 173.517 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.5 -132.01 51.45 Favored Glycine 0 N--CA 1.477 1.412 0 O-C-N 124.785 1.303 . . . . 29.32 112.203 172.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.4 p -58.79 -33.57 70.5 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 118.095 -0.955 . . . . 30.92 110.76 -177.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . 0.495 ' ND1' ' N ' ' B' ' 10' ' ' HIS . 1.9 t60 -54.67 -47.24 73.86 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 119.846 1.203 . . . . 29.2 110.357 -177.225 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.5 tp -68.31 -43.9 76.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 123.946 0.778 . . . . 28.99 110.089 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.9 t -60.34 -43.79 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.459 -0.941 . . . . 24.51 108.459 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . 0.717 ' OE2' ' O ' ' B' ' 101' ' ' HOH . 30.6 tt0 -63.02 -40.1 96.74 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.925 1.29 . . . . 27.63 109.904 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.55 95.48 Favored 'General case' 0 C--O 1.267 1.98 0 O-C-N 124.334 1.021 . . . . 21.7 109.298 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.64 -47.7 85.06 Favored 'General case' 0 C--O 1.252 1.231 0 C-N-CA 123.661 0.784 . . . . 22.64 109.079 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -55.91 -47.19 77.91 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.153 0.908 . . . . 20.83 110.406 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.15 -44.4 63.16 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.735 0.698 . . . . 22.87 111.09 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.73 -46.2 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 CA-C-O 116.508 -1.711 . . . . 21.94 110.635 -179.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 69.5 m -83.08 -26.63 30.9 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 119.999 1.272 . . . . 27.84 110.797 -169.394 -58.345 -63.772 -74.039 101.239 2.022 106.211 -48.865 -53.841 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.31 -125.62 38.38 Favored Glycine 0 C--O 1.261 1.825 0 CA-C-O 118.465 -1.186 . . . . 34.99 111.484 174.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.74 -14.53 61.14 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 118.021 -0.99 . . . . 91.84 111.285 -173.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -64.13 -37.4 87.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 117.828 -1.082 . . . . 34.21 109.933 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.45 -174.39 38.56 Favored Glycine 0 C--O 1.284 3.25 0 N-CA-C 110.632 -0.987 . . . . 26.3 110.632 -171.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -159.23 168.96 25.17 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.207 0.592 . . . . 25.33 112.336 -171.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -119.29 133.68 55.61 Favored 'General case' 0 C--O 1.198 -1.614 0 N-CA-C 107.049 -1.463 . . . . 72.3 107.049 170.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -114.91 103.92 11.41 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 126.098 1.759 . . . . 34.96 107.982 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.54 92.01 49.17 Favored Pre-proline 0 N--CA 1.481 1.094 0 N-CA-C 107.93 -1.137 . . . . 58.09 107.93 179.673 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.07 -44.45 2.54 Favored 'Trans proline' 0 C--O 1.199 -1.448 0 CA-C-O 116.424 -1.573 . . . . 62.86 115.362 -175.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -97.23 45.81 1.04 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 120.08 1.309 . . . . 92.52 110.901 -174.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 C-N-CA 126.033 1.733 . . . . 88.47 108.764 169.485 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.548 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.717 ' O ' ' OE2' ' B' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 N--CA 1.494 2.519 0 CA-C-O 119.17 -0.794 . . . . 42.850000000000001 111.771 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -61.4 -36.41 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-O 116.568 -1.682 . . . . 31.75 111.111 -171.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.69 -46.12 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-N 119.982 1.265 . . . . 35.119999999999997 109.929 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -60.66 -38.94 86.53 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 118.184 -0.912 . . . . 65.280000000000001 109.26 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -89.39 -25.0 21.79 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 117.756 -1.116 . . . . 40.880000000000003 111.628 -169.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.6 m -121.86 -17.68 7.27 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 117.03 -1.462 . . . . 27.989999999999998 112.797 -172.313 -77.761 -104.485 63.234 102.27 1.998 105.423 58.889 -158.334 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -103.4 -58.26 1.9 Allowed 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.588 1.086 . . . . 26.579999999999998 110.705 177.502 173.517 55.639 99.161 105.99 2.009 103.313 -83.717 -57.793 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.62 68.53 Favored 'General case' 0 C--O 1.189 -2.121 0 C-N-CA 126.905 2.082 . . . . 36.270000000000003 110.66 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -133.18 171.41 14.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.913 1.285 . . . . 43.479999999999997 108.126 176.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.65 129.02 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 108.118 -1.068 . . . . 28.949999999999999 108.118 -171.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -69.95 167.41 17.53 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.386 1.074 . . . . 20.059999999999999 110.529 179.161 -158.334 58.889 63.234 105.423 1.998 102.27 -104.485 -77.761 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 p -145.75 158.11 43.88 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.329 1.052 . . . . 21.469999999999999 108.665 173.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.32 -38.03 89.56 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.338 -0.986 . . . . 21.920000000000002 108.338 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -54.56 -48.87 71.52 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 118.537 0.608 . . . . 54.229999999999997 109.878 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.2 -55.22 36.4 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 117.426 -1.274 . . . . 30.050000000000001 110.471 -173.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 mt -58.17 -44.24 87.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 117.607 -1.187 . . . . 25.879999999999999 108.617 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.22 -24.99 64.99 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 117.548 -1.215 . . . . 28.27 110.143 -173.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -57.89 -21.0 40.98 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 117.591 -1.195 . . . . 38.840000000000003 109.681 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -107.08 -1.61 21.87 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 116.418 -1.754 . . . . 45.590000000000003 112.87 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.64 150.93 44.14 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 120.104 1.32 . . . . 33.009999999999998 108.142 170.448 -53.841 -48.865 -74.039 106.211 2.022 101.239 -63.772 -58.345 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 108.147 -1.057 . . . . 51.049999999999997 108.147 176.76 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 p90 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 116.808 -1.567 . . . . 35.859999999999999 111.469 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 m -95.28 -15.62 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 CA-C-O 116.989 -1.481 . . . . 28.52 111.017 -167.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -91.15 62.97 4.94 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 124.611 1.194 . . . . 27.370000000000001 109.139 -174.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -153.29 177.44 10.85 Favored 'General case' 0 C--O 1.268 2.05 0 O-C-N 125.109 1.506 . . . . 44.009999999999998 109.095 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -69.18 115.57 8.62 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 125.051 1.47 . . . . 35.100000000000001 107.751 169.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.15 111.4 20.96 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.514 1.126 . . . . 26.079999999999998 108.319 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.3 m -123.53 143.82 49.95 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 117.957 -1.021 . . . . 27.93 109.422 -174.312 -57.793 -83.717 99.161 103.313 2.009 105.99 55.639 173.517 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.5 -132.01 51.45 Favored Glycine 0 N--CA 1.477 1.412 0 O-C-N 124.785 1.303 . . . . 29.32 112.203 172.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.4 p -58.79 -33.57 70.5 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 118.095 -0.955 . . . . 30.920000000000002 110.76 -177.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . 0.495 ' N ' ' ND1' ' B' ' 10' ' ' HIS . 1.9 t60 -54.67 -47.24 73.86 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 119.846 1.203 . . . . 29.199999999999999 110.357 -177.225 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.5 tp -68.31 -43.9 76.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 123.946 0.778 . . . . 28.989999999999998 110.089 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.9 t -60.34 -43.79 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.459 -0.941 . . . . 24.510000000000002 108.459 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.717 ' OE2' ' O ' ' B' ' 101' ' ' HOH . 30.6 tt0 -63.02 -40.1 96.74 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.925 1.29 . . . . 27.629999999999999 109.904 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.55 95.48 Favored 'General case' 0 C--O 1.267 1.98 0 O-C-N 124.334 1.021 . . . . 21.699999999999999 109.298 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.64 -47.7 85.06 Favored 'General case' 0 C--O 1.252 1.231 0 C-N-CA 123.661 0.784 . . . . 22.640000000000001 109.079 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -55.91 -47.19 77.91 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.153 0.908 . . . . 20.829999999999998 110.406 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.15 -44.4 63.16 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.735 0.698 . . . . 22.870000000000001 111.09 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.73 -46.2 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 CA-C-O 116.508 -1.711 . . . . 21.940000000000001 110.635 -179.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 69.5 m -83.08 -26.63 30.9 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 119.999 1.272 . . . . 27.84 110.797 -169.394 -58.345 -63.772 -74.039 101.239 2.022 106.211 -48.865 -53.841 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.31 -125.62 38.38 Favored Glycine 0 C--O 1.261 1.825 0 CA-C-O 118.465 -1.186 . . . . 34.990000000000002 111.484 174.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.74 -14.53 61.14 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 118.021 -0.99 . . . . 91.840000000000003 111.285 -173.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -64.13 -37.4 87.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 117.828 -1.082 . . . . 34.210000000000001 109.933 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.45 -174.39 38.56 Favored Glycine 0 C--O 1.284 3.25 0 N-CA-C 110.632 -0.987 . . . . 26.300000000000001 110.632 -171.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -159.23 168.96 25.17 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.207 0.592 . . . . 25.329999999999998 112.336 -171.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -119.29 133.68 55.61 Favored 'General case' 0 C--O 1.198 -1.614 0 N-CA-C 107.049 -1.463 . . . . 72.299999999999997 107.049 170.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -114.91 103.92 11.41 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 126.098 1.759 . . . . 34.960000000000001 107.982 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.54 92.01 49.17 Favored Pre-proline 0 N--CA 1.481 1.094 0 N-CA-C 107.93 -1.137 . . . . 58.090000000000003 107.93 179.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.07 -44.45 2.54 Favored 'Trans proline' 0 C--O 1.199 -1.448 0 CA-C-O 116.424 -1.573 . . . . 62.859999999999999 115.362 -175.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -97.23 45.81 1.04 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 120.08 1.309 . . . . 92.519999999999996 110.901 -174.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 C-N-CA 126.033 1.733 . . . . 88.469999999999999 108.764 169.485 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.548 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . 0.717 ' O ' ' OE2' ' B' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.548 ' N ' ' O ' ' A' ' 101' ' ' HOH . . . . . . . . 0 N--CA 1.494 2.519 0 CA-C-O 119.17 -0.794 . . . . 42.85 111.771 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 15.6 tt -61.4 -36.41 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 CA-C-O 116.568 -1.682 . . . . 31.75 111.111 -171.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 78.1 t -66.69 -46.12 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 CA-C-N 119.982 1.265 . . . . 35.12 109.929 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.2 mp0 -60.66 -38.94 86.53 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 118.184 -0.912 . . . . 65.28 109.26 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 89.2 mm-40 -89.39 -25.0 21.79 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 117.756 -1.116 . . . . 40.88 111.628 -169.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 35.6 m -121.86 -17.68 7.27 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 117.03 -1.462 . . . . 27.99 112.797 -172.313 -77.761 -104.485 63.234 102.27 1.998 105.423 58.889 -158.334 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.6 t -103.4 -58.26 1.9 Allowed 'General case' 0 N--CA 1.484 1.246 0 CA-C-N 119.588 1.086 . . . . 26.58 110.705 177.502 173.517 55.639 99.161 105.99 2.009 103.313 -83.717 -57.793 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.18 -29.62 68.53 Favored 'General case' 0 C--O 1.189 -2.121 0 C-N-CA 126.905 2.082 . . . . 36.27 110.66 -178.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -133.18 171.41 14.05 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.913 1.285 . . . . 43.48 108.126 176.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 87.5 t -74.65 129.02 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 N-CA-C 108.118 -1.068 . . . . 28.95 108.118 -171.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.3 t -69.95 167.41 17.53 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.386 1.074 . . . . 20.06 110.529 179.161 -158.334 58.889 63.234 105.423 1.998 102.27 -104.485 -77.761 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 75.2 p -145.75 158.11 43.88 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.329 1.052 . . . . 21.47 108.665 173.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.32 -38.03 89.56 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.338 -0.986 . . . . 21.92 108.338 179.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 34.2 t80 -54.56 -48.87 71.52 Favored 'General case' 0 N--CA 1.491 1.609 0 CA-C-N 118.537 0.608 . . . . 54.23 109.878 176.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -60.2 -55.22 36.4 Favored 'General case' 0 N--CA 1.488 1.435 0 CA-C-O 117.426 -1.274 . . . . 30.05 110.471 -173.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.9 mt -58.17 -44.24 87.87 Favored 'General case' 0 N--CA 1.487 1.393 0 CA-C-O 117.607 -1.187 . . . . 25.88 108.617 174.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -68.22 -24.99 64.99 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-O 117.548 -1.215 . . . . 28.27 110.143 -173.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -57.89 -21.0 40.98 Favored 'General case' 0 N--CA 1.484 1.254 0 CA-C-O 117.591 -1.195 . . . . 38.84 109.681 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -107.08 -1.61 21.87 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-O 116.418 -1.754 . . . . 45.59 112.87 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.3 m -71.64 150.93 44.14 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 120.104 1.32 . . . . 33.01 108.142 170.448 -53.841 -48.865 -74.039 106.211 2.022 101.239 -63.772 -58.345 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 16.1 m120 . . . . . 0 N--CA 1.485 1.32 0 N-CA-C 108.147 -1.057 . . . . 51.05 108.147 176.76 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 20.4 p90 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 116.808 -1.567 . . . . 35.86 111.469 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 m -95.28 -15.62 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 CA-C-O 116.989 -1.481 . . . . 28.52 111.017 -167.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -91.15 62.97 4.94 Favored 'General case' 0 N--CA 1.485 1.311 0 O-C-N 124.611 1.194 . . . . 27.37 109.139 -174.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -153.29 177.44 10.85 Favored 'General case' 0 C--O 1.268 2.05 0 O-C-N 125.109 1.506 . . . . 44.01 109.095 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -69.18 115.57 8.62 Favored 'General case' 0 N--CA 1.48 1.053 0 O-C-N 125.051 1.47 . . . . 35.1 107.751 169.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.15 111.4 20.96 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.514 1.126 . . . . 26.08 108.319 177.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 66.3 m -123.53 143.82 49.95 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 117.957 -1.021 . . . . 27.93 109.422 -174.312 -57.793 -83.717 99.161 103.313 2.009 105.99 55.639 173.517 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.5 -132.01 51.45 Favored Glycine 0 N--CA 1.477 1.412 0 O-C-N 124.785 1.303 . . . . 29.32 112.203 172.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 72.4 p -58.79 -33.57 70.5 Favored 'General case' 0 N--CA 1.484 1.263 0 CA-C-O 118.095 -0.955 . . . . 30.92 110.76 -177.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . 0.495 ' ND1' ' N ' ' B' ' 10' ' ' HIS . 1.9 t60 -54.67 -47.24 73.86 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 119.846 1.203 . . . . 29.2 110.357 -177.225 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 34.5 tp -68.31 -43.9 76.6 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 123.946 0.778 . . . . 28.99 110.089 176.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 33.9 t -60.34 -43.79 94.48 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.459 -0.941 . . . . 24.51 108.459 178.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.717 ' OE2' ' O ' ' B' ' 101' ' ' HOH . 30.6 tt0 -63.02 -40.1 96.74 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.925 1.29 . . . . 27.63 109.904 178.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -44.55 95.48 Favored 'General case' 0 C--O 1.267 1.98 0 O-C-N 124.334 1.021 . . . . 21.7 109.298 -177.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 22.1 mt -60.64 -47.7 85.06 Favored 'General case' 0 C--O 1.252 1.231 0 C-N-CA 123.661 0.784 . . . . 22.64 109.079 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -55.91 -47.19 77.91 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 124.153 0.908 . . . . 20.83 110.406 178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.15 -44.4 63.16 Favored 'General case' 0 N--CA 1.487 1.415 0 CA-C-N 118.735 0.698 . . . . 22.87 111.09 -177.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.4 t -67.73 -46.2 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 CA-C-O 116.508 -1.711 . . . . 21.94 110.635 -179.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 69.5 m -83.08 -26.63 30.9 Favored 'General case' 0 N--CA 1.489 1.495 0 CA-C-N 119.999 1.272 . . . . 27.84 110.797 -169.394 -58.345 -63.772 -74.039 101.239 2.022 106.211 -48.865 -53.841 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.31 -125.62 38.38 Favored Glycine 0 C--O 1.261 1.825 0 CA-C-O 118.465 -1.186 . . . . 34.99 111.484 174.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -73.74 -14.53 61.14 Favored 'General case' 0 N--CA 1.489 1.482 0 CA-C-O 118.021 -0.99 . . . . 91.84 111.285 -173.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 35.9 mtm180 -64.13 -37.4 87.33 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 117.828 -1.082 . . . . 34.21 109.933 176.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.45 -174.39 38.56 Favored Glycine 0 C--O 1.284 3.25 0 N-CA-C 110.632 -0.987 . . . . 26.3 110.632 -171.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 53.8 p90 -159.23 168.96 25.17 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 124.207 0.592 . . . . 25.33 112.336 -171.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 21.3 p90 -119.29 133.68 55.61 Favored 'General case' 0 C--O 1.198 -1.614 0 N-CA-C 107.049 -1.463 . . . . 72.3 107.049 170.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -114.91 103.92 11.41 Favored 'General case' 0 C--N 1.306 -1.285 0 C-N-CA 126.098 1.759 . . . . 34.96 107.982 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.54 92.01 49.17 Favored Pre-proline 0 N--CA 1.481 1.094 0 N-CA-C 107.93 -1.137 . . . . 58.09 107.93 179.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -69.07 -44.45 2.54 Favored 'Trans proline' 0 C--O 1.199 -1.448 0 CA-C-O 116.424 -1.573 . . . . 62.86 115.362 -175.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -97.23 45.81 1.04 Allowed 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 120.08 1.309 . . . . 92.52 110.901 -174.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.233 0 C-N-CA 126.033 1.733 . . . . 88.47 108.764 169.485 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.548 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.717 ' O ' ' OE2' ' B' ' 13' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_