data_3qte_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 3qte _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 105.746 -1.946 . . . . 44.26 105.746 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -92.59 143.18 26.59 Favored 'General case' 0 CA--C 1.501 -0.924 0 N-CA-C 103.991 -2.596 . . . . 42.59 103.991 161.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 m -114.58 121.75 44.42 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.176 -1.416 . . . . 37.02 107.176 169.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 24.4 m -125.4 141.9 51.8 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.054 1.131 . . . . 32.64 114.054 -172.677 -48.822 -100.829 104.301 106.17 2.042 103.42 -86.033 -54.856 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -130.33 148.66 52.18 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 107.627 -1.249 . . . . 36.91 107.627 173.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.0 m -82.17 120.98 26.02 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 117.591 -1.195 . . . . 28.24 109.422 166.229 -65.292 -80.468 -89.858 102.52 2.07 101.783 -166.007 -40.547 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -133.95 159.03 41.97 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-N 119.072 0.851 . . . . 30.3 111.614 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ARG . . . . . 0.657 ' CD ' ' O ' ' C' ' 37' ' ' HOH . 0.0 OUTLIER -63.57 -44.66 93.43 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.701 0.762 . . . . 44.89 109.894 169.677 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.18 132.78 44.96 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 126.223 1.809 . . . . 41.49 112.587 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.4 m -67.31 143.46 56.39 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 119.126 -1.03 . . . . 27.57 111.293 175.242 -59.795 -40.096 -79.471 105.218 2.033 105.507 -76.013 -59.466 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -69.34 161.31 29.61 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-N 115.015 -0.993 . . . . 39.95 109.284 175.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -62.57 -17.6 60.4 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 114.149 -1.387 . . . . 38.26 112.82 -174.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 p -92.73 -3.9 54.05 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.337 1.455 . . . . 39.14 111.978 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -117.56 169.21 9.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 120.082 -0.647 . . . . 31.36 111.736 -173.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -129.93 164.14 24.87 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 124.346 1.029 . . . . 43.09 109.274 164.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -85.64 127.33 34.45 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-N 114.604 -1.18 . . . . 30.84 112.272 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -112.82 -4.45 13.99 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-O 119.649 -0.215 . . . . 35.02 110.77 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . 0.45 ' CA ' ' CE ' ' B' ' 23' ' ' MET . . . 161.62 -159.25 31.14 Favored Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 110.578 -1.009 . . . . 26.89 110.578 -174.598 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 p -127.1 154.62 44.49 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.624 1.342 . . . . 33.93 114.624 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 m -119.73 148.21 43.68 Favored 'General case' 0 C--O 1.197 -1.667 0 N-CA-C 105.652 -1.981 . . . . 26.5 105.652 167.631 -40.547 -166.007 -89.858 101.783 2.07 102.52 -80.468 -65.292 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.1 m -122.54 120.44 33.82 Favored 'General case' 0 CA--C 1.49 -1.329 0 C-N-CA 119.399 -0.92 . . . . 29.99 108.519 167.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 t -147.47 147.47 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 124.722 1.264 . . . . 33.29 108.434 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.53 23.59 12.26 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 120.864 0.364 . . . . 54.22 111.017 -176.734 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.34 3.61 90.48 Favored Glycine 0 C--O 1.271 2.422 0 O-C-N 122.054 -0.404 . . . . 29.83 113.344 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 pt -127.45 155.98 38.91 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.306 0 C-N-CA 119.069 -1.052 . . . . 29.79 112.51 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.63 146.87 32.28 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 125.722 1.889 . . . . 28.63 112.268 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . 0.286 81.1 m95 -136.16 164.49 27.93 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 101.717 -3.438 . . . . 36.79 101.717 175.166 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -96.74 145.56 25.69 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 118.929 0.786 . . . . 46.64 110.525 172.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -90.15 99.56 12.55 Favored 'General case' 0 N--CA 1.423 -1.778 0 N-CA-C 108.845 -0.798 . . . . 31.27 108.845 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 85.9 m -104.53 128.26 52.45 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.57 1.548 . . . . 27.96 109.308 -167.413 -59.466 -76.013 -79.471 105.507 2.033 105.218 -40.096 -59.795 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.6 m -132.92 151.28 52.07 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.643 -0.503 . . . . 32.49 109.643 -176.978 -54.856 -86.033 104.301 103.42 2.042 106.17 -100.829 -48.822 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.503 -0.849 0 N-CA-C 107.051 -1.462 . . . . 40.57 107.051 164.526 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 121.779 0.799 . . . . 50.84 110.841 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -115.53 150.43 36.59 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 106.275 -1.75 . . . . 45.55 106.275 -174.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -128.04 121.42 29.7 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.296 -1.372 . . . . 45.58 107.296 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 56.3 m -122.57 147.21 46.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.1 -0.955 . . . . 42.1 110.479 -170.281 -53.867 -99.281 111.8 104.714 2.032 102.667 -91.579 -52.597 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -136.01 149.48 48.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.386 1.474 . . . . 43.17 109.914 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -82.56 121.42 26.78 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 106.803 -1.554 . . . . 40.57 106.803 169.326 -63.253 -75.258 -85.896 102.92 2.073 100.231 -161.399 -42.789 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -137.3 150.93 48.12 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.821 -1.548 . . . . 42.69 106.821 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -42.83 93.16 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.666 0.617 . . . . 70.07 112.666 170.366 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.08 157.09 46.14 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.589 -1.263 . . . . 46.99 107.589 167.25 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 78.1 m -90.17 154.97 19.36 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 107.222 -1.399 . . . . 40.03 107.222 -177.459 -60.784 -48.194 -77.971 105.183 2.031 103.076 -78.135 -55.221 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -63.63 147.63 51.04 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 106.841 -1.54 . . . . 48.04 106.841 169.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.2 p -56.64 -24.57 49.17 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.536 -0.756 . . . . 48.39 110.631 -177.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 63.6 p -82.23 -10.46 59.12 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.712 1.004 . . . . 47.92 113.712 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -100.2 166.69 10.87 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.64 0.978 . . . . 42.8 113.64 -176.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -115.89 140.75 48.93 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.545 0.738 . . . . 56.15 110.879 176.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -82.81 121.69 27.24 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 105.647 -1.982 . . . . 45.01 105.647 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -131.03 67.95 1.5 Allowed 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 121.507 0.67 . . . . 46.72 109.468 -179.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.98 -159.4 28.94 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 111.009 -0.836 . . . . 37.81 111.009 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.2 p -134.61 165.69 24.65 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 120.08 -0.648 . . . . 42.09 111.426 -165.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 m -128.84 128.16 43.34 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 105.035 -2.209 . . . . 39.89 105.035 165.205 -42.789 -161.399 -85.896 100.231 2.073 102.92 -75.258 -63.253 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.6 m -117.77 130.84 56.55 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.382 -0.599 . . . . 40.23 109.382 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.71 115.5 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 105.422 -2.066 . . . . 40.6 105.422 174.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' MET . . . . . 0.45 ' CE ' ' CA ' ' A' ' 18' ' ' GLY . 26.8 mmt 59.27 33.67 22.69 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 118.942 -0.552 . . . . 61.62 110.509 177.142 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.58 9.64 65.47 Favored Glycine 0 N--CA 1.483 1.808 0 N-CA-C 120.744 3.058 . . . . 50.05 120.744 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 55.8 mt -92.88 119.87 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 N-CA-C 108.073 -1.084 . . . . 58.1 108.073 163.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -95.66 120.24 35.57 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 114.202 -1.363 . . . . 53.05 113.021 -168.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -113.61 174.77 5.76 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.772 -0.825 . . . . 53.78 108.772 -176.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -99.8 145.16 28.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 120.453 -0.499 . . . . 65.79 111.943 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -92.56 106.96 18.85 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 106.044 -1.836 . . . . 36.6 106.044 171.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.96 115.96 31.4 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 124.107 0.963 . . . . 38.36 113.512 -171.402 -55.221 -78.135 -77.971 103.076 2.031 105.183 -48.194 -60.784 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 41.6 m -116.7 151.92 35.37 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 121.419 -0.8 . . . . 42.4 112.991 -176.588 -52.597 -91.579 111.8 102.667 2.032 104.714 -99.281 -53.867 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.442 -0.843 0 CA-C-O 123.776 1.751 . . . . 53.07 109.393 170.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 110.233 -0.284 . . . . 46.3 110.233 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -105.76 139.48 40.27 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 107.506 -1.294 . . . . 48.96 107.506 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 84.3 m -106.55 126.35 52.16 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.394 -0.366 . . . . 39.46 111.238 172.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' CYS . . . . . . . . . . . . . 33.7 m -124.36 144.31 50.1 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.306 0.484 . . . . 33.89 112.306 -178.359 -50.699 -104.016 109.575 106.827 2.023 102.851 -81.456 -59.455 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -132.59 144.6 50.49 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 125.861 1.665 . . . . 40.41 106.757 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 74.3 m -80.88 120.31 24.55 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 124.656 1.182 . . . . 34.8 108.248 163.574 -61.492 -79.291 -88.715 99.427 2.0 100.961 -159.031 -41.269 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -139.67 160.64 39.4 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 123.116 0.566 . . . . 38.52 109.638 -178.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -40.07 86.78 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.884 0.698 . . . . 44.69 112.884 168.374 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.33 142.05 51.67 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 127.573 2.349 . . . . 39.62 111.913 -178.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' CYS . . . . . . . . . . . . . 69.6 m -89.73 144.87 25.62 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 116.54 -2.064 . . . . 26.56 109.884 173.232 -58.371 -47.159 -84.339 106.009 2.013 102.185 -82.637 -49.469 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -75.83 156.49 34.4 Favored 'General case' 0 C--O 1.263 1.772 0 CA-C-N 114.707 -1.133 . . . . 50.73 108.283 179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 68.8 p -57.16 -21.11 30.48 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 125.196 1.56 . . . . 34.06 113.213 -176.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 13.0 p -86.22 -5.88 59.1 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.097 1.359 . . . . 39.68 113.769 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -115.43 169.92 8.79 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 120.077 -0.649 . . . . 32.75 111.633 -167.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -121.96 137.83 54.65 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 107.866 -1.161 . . . . 38.06 107.866 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -77.43 104.49 7.98 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 114.279 -1.328 . . . . 23.82 110.563 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -96.48 -44.62 7.1 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 117.341 2.349 . . . . 34.57 117.341 -176.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.49 -148.33 4.94 Favored Glycine 0 C--O 1.245 0.82 0 O-C-N 121.221 -0.924 . . . . 27.37 111.992 169.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.7 p -129.06 150.22 50.55 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 123.202 0.601 . . . . 32.69 111.178 -175.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 m -115.81 113.66 23.7 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 102.093 -3.299 . . . . 31.65 102.093 172.478 -41.269 -159.031 -88.715 100.961 2.0 99.427 -79.291 -61.492 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.0 m -99.67 126.22 45.65 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.661 -1.237 . . . . 29.82 107.661 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' VAL . . . . . . . . . . . . . 91.6 t -125.64 111.42 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.226 -0.657 . . . . 34.41 109.226 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' MET . . . . . . . . . . . . . 54.3 mtm 46.1 43.65 11.08 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 114.45 -1.25 . . . . 48.51 113.112 -174.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.85 18.65 79.64 Favored Glycine 0 N--CA 1.477 1.391 0 C-N-CA 120.091 -1.052 . . . . 34.43 114.639 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mm -110.21 114.99 48.58 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 N-CA-C 103.959 -2.608 . . . . 35.6 103.959 169.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -88.84 139.18 30.72 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 115.526 1.676 . . . . 42.0 115.526 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' TRP . . . . . . . . . . . . . 19.3 m-90 -123.38 176.1 6.34 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 107.167 -1.419 . . . . 54.97 107.167 168.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -93.36 144.83 24.95 Favored 'General case' 0 CA--C 1.495 -1.151 0 O-C-N 124.613 1.196 . . . . 35.18 109.782 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -95.12 100.8 12.56 Favored 'General case' 0 C--O 1.265 1.905 0 N-CA-C 102.744 -3.058 . . . . 30.8 102.744 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 m -105.01 124.14 49.01 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.843 0.312 . . . . 26.39 111.843 -172.046 -49.469 -82.637 -84.339 102.185 2.013 106.009 -47.159 -58.371 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' CYS . . . . . . . . . . . . . 85.7 m -117.98 156.43 28.55 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 113.442 0.904 . . . . 29.63 113.442 -175.158 -59.455 -81.456 109.575 102.851 2.023 106.827 -104.016 -50.699 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--O 1.258 1.521 0 N-CA-C 109.047 -0.723 . . . . 39.74 109.047 165.934 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.791 0 N-CA-C 111.554 0.205 . . . . 44.91 111.554 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -110.18 138.62 46.32 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.535 -1.654 . . . . 45.44 106.535 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 47.9 m -112.1 127.8 56.02 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 106.429 -1.693 . . . . 36.75 106.429 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' CYS . . . . . . . . . . . . . 57.0 m -135.86 143.81 45.26 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 124.284 0.99 . . . . 33.04 110.882 -169.641 -54.169 -94.643 103.133 106.753 2.029 104.446 -91.753 -52.794 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -136.3 153.52 51.14 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 108.336 -0.987 . . . . 38.43 108.336 173.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -85.87 122.03 29.35 Favored 'General case' 0 C--O 1.2 -1.502 0 N-CA-C 104.76 -2.311 . . . . 35.72 104.76 169.982 -67.513 -80.328 -84.258 104.511 2.083 101.256 -163.258 -43.897 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -139.36 154.09 47.8 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 118.916 0.78 . . . . 41.52 109.509 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ARG . . . . . . . . . . . . . 3.4 mtm105 -49.68 -50.9 41.83 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 123.952 0.901 . . . . 71.57 110.665 168.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.56 150.16 44.73 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 107.066 -1.457 . . . . 50.03 107.066 174.146 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' CYS . . . . . . . . . . . . . 56.8 m -73.6 151.42 40.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.68 0.752 . . . . 38.13 111.883 175.043 -54.085 -43.597 -81.652 104.625 2.009 100.718 -79.837 -54.909 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -62.23 148.01 46.1 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 105.656 -1.979 . . . . 49.54 105.656 168.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 72.9 p -49.18 -27.83 3.93 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.788 1.032 . . . . 44.2 113.788 171.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' THR . . . . . . . . . . . . . 76.9 p -83.47 -3.46 57.61 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 119.028 0.831 . . . . 43.61 112.92 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -105.14 164.86 11.5 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.303 -0.862 . . . . 40.72 112.187 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -120.99 144.9 48.27 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 123.967 0.907 . . . . 64.17 108.609 173.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -90.19 124.95 35.28 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.794 -0.763 . . . . 41.99 110.353 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -102.69 -4.72 24.66 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 119.354 -0.939 . . . . 44.89 113.129 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' GLY . . . . . . . . . . . . . . . 159.06 -150.77 21.51 Favored Glycine 0 C--O 1.243 0.708 0 N-CA-C 107.759 -2.136 . . . . 39.76 107.759 -174.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 15.4 p -126.82 151.97 47.59 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.594 0.82 . . . . 36.8 111.002 -174.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' CYS . . . . . . . . . . . . . 8.0 m -119.91 154.93 33.68 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 104.5 -2.408 . . . . 34.03 104.5 165.407 -43.897 -163.258 -84.258 101.256 2.083 104.511 -80.328 -67.513 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 61.5 m -130.75 115.82 17.16 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 104.442 -2.429 . . . . 33.61 104.442 171.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' VAL . . . . . . . . . . . . . 18.5 t -145.68 127.94 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 N-CA-C 102.697 -3.075 . . . . 39.06 102.697 -172.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' MET . . . . . . . . . . . . . 90.1 mtp 67.24 23.5 9.39 Favored 'General case' 0 C--O 1.248 0.987 0 O-C-N 124.524 1.14 . . . . 55.51 108.38 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.21 -0.5 79.53 Favored Glycine 0 C--O 1.246 0.894 0 CA-C-O 119.07 -0.85 . . . . 39.28 113.463 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.88 157.57 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 CA-C-N 117.909 0.855 . . . . 48.98 113.025 169.804 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -88.67 140.14 29.76 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 114.946 -1.025 . . . . 43.53 112.34 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -128.75 164.52 22.82 Favored 'General case' 0 CA--C 1.478 -1.82 0 N-CA-C 105.034 -2.209 . . . . 48.66 105.034 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.52 139.18 30.74 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 107.344 -1.354 . . . . 67.09 107.344 167.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -82.5 106.54 14.46 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 116.551 -0.295 . . . . 33.68 110.289 161.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' CYS . . . . . . . . . . . . . 58.7 m -108.46 125.35 51.68 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 123.198 0.599 . . . . 34.74 111.896 -170.336 -54.909 -79.837 -81.652 100.718 2.009 104.625 -43.597 -54.085 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' CYS . . . . . . . . . . . . . 44.6 m -128.62 153.41 47.28 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 119.66 -0.816 . . . . 35.86 111.213 -177.881 -52.794 -91.753 103.133 104.446 2.029 106.753 -94.643 -54.169 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--N 1.321 -0.665 0 CA-C-O 123.155 1.455 . . . . 43.53 111.681 164.465 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' HOH . . . . . 0.657 ' O ' ' CD ' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 105.746 -1.946 . . . . 44.259999999999998 105.746 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -92.59 143.18 26.59 Favored 'General case' 0 CA--C 1.501 -0.924 0 N-CA-C 103.991 -2.596 . . . . 42.590000000000003 103.991 161.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 m -114.58 121.75 44.42 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.176 -1.416 . . . . 37.020000000000003 107.176 169.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 24.4 m -125.4 141.9 51.8 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.054 1.131 . . . . 32.640000000000001 114.054 -172.677 -48.822 -100.829 104.301 106.17 2.042 103.42 -86.033 -54.856 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -130.33 148.66 52.18 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 107.627 -1.249 . . . . 36.909999999999997 107.627 173.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.0 m -82.17 120.98 26.02 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 117.591 -1.195 . . . . 28.239999999999998 109.422 166.229 -65.292 -80.468 -89.858 102.52 2.07 101.783 -166.007 -40.547 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -133.95 159.03 41.97 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-N 119.072 0.851 . . . . 30.300000000000001 111.614 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . 0.973 ' HD3' ' O ' ' C' ' 37' ' ' HOH . 0.0 OUTLIER -63.57 -44.66 93.43 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.701 0.762 . . . . 44.890000000000001 109.894 169.677 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.18 132.78 44.96 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 126.223 1.809 . . . . 41.490000000000002 112.587 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.4 m -67.31 143.46 56.39 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 119.126 -1.03 . . . . 27.57 111.293 175.242 -59.795 -40.096 -79.471 105.218 2.033 105.507 -76.013 -59.466 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -69.34 161.31 29.61 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-N 115.015 -0.993 . . . . 39.950000000000003 109.284 175.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -62.57 -17.6 60.4 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 114.149 -1.387 . . . . 38.259999999999998 112.82 -174.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 p -92.73 -3.9 54.05 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.337 1.455 . . . . 39.140000000000001 111.978 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -117.56 169.21 9.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 120.082 -0.647 . . . . 31.359999999999999 111.736 -173.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -129.93 164.14 24.87 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 124.346 1.029 . . . . 43.090000000000003 109.274 164.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -85.64 127.33 34.45 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-N 114.604 -1.18 . . . . 30.84 112.272 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -112.82 -4.45 13.99 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-O 119.649 -0.215 . . . . 35.020000000000003 110.77 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . 0.79 ' HA3' ' CE ' ' B' ' 23' ' ' MET . . . 161.62 -159.25 31.14 Favored Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 110.578 -1.009 . . . . 26.890000000000001 110.578 -174.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 p -127.1 154.62 44.49 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.624 1.342 . . . . 33.93 114.624 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 m -119.73 148.21 43.68 Favored 'General case' 0 C--O 1.197 -1.667 0 N-CA-C 105.652 -1.981 . . . . 26.5 105.652 167.631 -40.547 -166.007 -89.858 101.783 2.07 102.52 -80.468 -65.292 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.1 m -122.54 120.44 33.82 Favored 'General case' 0 CA--C 1.49 -1.329 0 C-N-CA 119.399 -0.92 . . . . 29.989999999999998 108.519 167.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 t -147.47 147.47 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 124.722 1.264 . . . . 33.289999999999999 108.434 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' MET . . . . . 0.418 ' HA ' ' CD1' ' C' ' 17' ' ' TYR . 0.0 OUTLIER 59.53 23.59 12.26 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 120.864 0.364 . . . . 54.219999999999999 111.017 -176.734 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.34 3.61 90.48 Favored Glycine 0 C--O 1.271 2.422 0 O-C-N 122.054 -0.404 . . . . 29.829999999999998 113.344 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 pt -127.45 155.98 38.91 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.306 0 C-N-CA 119.069 -1.052 . . . . 29.789999999999999 112.51 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.63 146.87 32.28 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 125.722 1.889 . . . . 28.629999999999999 112.268 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . 0.286 81.1 m95 -136.16 164.49 27.93 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 101.717 -3.438 . . . . 36.789999999999999 101.717 175.166 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -96.74 145.56 25.69 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 118.929 0.786 . . . . 46.640000000000001 110.525 172.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -90.15 99.56 12.55 Favored 'General case' 0 N--CA 1.423 -1.778 0 N-CA-C 108.845 -0.798 . . . . 31.27 108.845 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 85.9 m -104.53 128.26 52.45 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.57 1.548 . . . . 27.960000000000001 109.308 -167.413 -59.466 -76.013 -79.471 105.507 2.033 105.218 -40.096 -59.795 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.6 m -132.92 151.28 52.07 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.643 -0.503 . . . . 32.490000000000002 109.643 -176.978 -54.856 -86.033 104.301 103.42 2.042 106.17 -100.829 -48.822 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.503 -0.849 0 N-CA-C 107.051 -1.462 . . . . 40.57 107.051 164.526 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 121.779 0.799 . . . . 50.840000000000003 110.841 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -115.53 150.43 36.59 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 106.275 -1.75 . . . . 45.549999999999997 106.275 -174.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -128.04 121.42 29.7 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.296 -1.372 . . . . 45.579999999999998 107.296 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 56.3 m -122.57 147.21 46.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.1 -0.955 . . . . 42.100000000000001 110.479 -170.281 -53.867 -99.281 111.8 104.714 2.032 102.667 -91.579 -52.597 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -136.01 149.48 48.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.386 1.474 . . . . 43.170000000000002 109.914 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -82.56 121.42 26.78 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 106.803 -1.554 . . . . 40.57 106.803 169.326 -63.253 -75.258 -85.896 102.92 2.073 100.231 -161.399 -42.789 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -137.3 150.93 48.12 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.821 -1.548 . . . . 42.689999999999998 106.821 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -42.83 93.16 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.666 0.617 . . . . 70.069999999999993 112.666 170.366 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.08 157.09 46.14 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.589 -1.263 . . . . 46.990000000000002 107.589 167.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 78.1 m -90.17 154.97 19.36 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 107.222 -1.399 . . . . 40.030000000000001 107.222 -177.459 -60.784 -48.194 -77.971 105.183 2.031 103.076 -78.135 -55.221 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -63.63 147.63 51.04 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 106.841 -1.54 . . . . 48.039999999999999 106.841 169.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.2 p -56.64 -24.57 49.17 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.536 -0.756 . . . . 48.390000000000001 110.631 -177.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 63.6 p -82.23 -10.46 59.12 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.712 1.004 . . . . 47.920000000000002 113.712 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -100.2 166.69 10.87 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.64 0.978 . . . . 42.799999999999997 113.64 -176.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -115.89 140.75 48.93 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.545 0.738 . . . . 56.149999999999999 110.879 176.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -82.81 121.69 27.24 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 105.647 -1.982 . . . . 45.009999999999998 105.647 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -131.03 67.95 1.5 Allowed 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 121.507 0.67 . . . . 46.719999999999999 109.468 -179.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.98 -159.4 28.94 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 111.009 -0.836 . . . . 37.810000000000002 111.009 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.2 p -134.61 165.69 24.65 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 120.08 -0.648 . . . . 42.090000000000003 111.426 -165.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 m -128.84 128.16 43.34 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 105.035 -2.209 . . . . 39.890000000000001 105.035 165.205 -42.789 -161.399 -85.896 100.231 2.073 102.92 -75.258 -63.253 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.6 m -117.77 130.84 56.55 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.382 -0.599 . . . . 40.229999999999997 109.382 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.71 115.5 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 105.422 -2.066 . . . . 40.600000000000001 105.422 174.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' MET . . . . . 0.79 ' CE ' ' HA3' ' A' ' 18' ' ' GLY . 26.8 mmt 59.27 33.67 22.69 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 118.942 -0.552 . . . . 61.619999999999997 110.509 177.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.58 9.64 65.47 Favored Glycine 0 N--CA 1.483 1.808 0 N-CA-C 120.744 3.058 . . . . 50.049999999999997 120.744 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 55.8 mt -92.88 119.87 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 N-CA-C 108.073 -1.084 . . . . 58.100000000000001 108.073 163.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -95.66 120.24 35.57 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 114.202 -1.363 . . . . 53.049999999999997 113.021 -168.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -113.61 174.77 5.76 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.772 -0.825 . . . . 53.780000000000001 108.772 -176.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -99.8 145.16 28.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 120.453 -0.499 . . . . 65.790000000000006 111.943 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -92.56 106.96 18.85 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 106.044 -1.836 . . . . 36.600000000000001 106.044 171.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.96 115.96 31.4 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 124.107 0.963 . . . . 38.359999999999999 113.512 -171.402 -55.221 -78.135 -77.971 103.076 2.031 105.183 -48.194 -60.784 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 41.6 m -116.7 151.92 35.37 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 121.419 -0.8 . . . . 42.399999999999999 112.991 -176.588 -52.597 -91.579 111.8 102.667 2.032 104.714 -99.281 -53.867 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.442 -0.843 0 CA-C-O 123.776 1.751 . . . . 53.07 109.393 170.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 110.233 -0.284 . . . . 46.299999999999997 110.233 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -105.76 139.48 40.27 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 107.506 -1.294 . . . . 48.960000000000001 107.506 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 84.3 m -106.55 126.35 52.16 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.394 -0.366 . . . . 39.460000000000001 111.238 172.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' CYS . . . . . . . . . . . . . 33.7 m -124.36 144.31 50.1 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.306 0.484 . . . . 33.890000000000001 112.306 -178.359 -50.699 -104.016 109.575 106.827 2.023 102.851 -81.456 -59.455 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -132.59 144.6 50.49 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 125.861 1.665 . . . . 40.409999999999997 106.757 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 74.3 m -80.88 120.31 24.55 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 124.656 1.182 . . . . 34.799999999999997 108.248 163.574 -61.492 -79.291 -88.715 99.427 2.0 100.961 -159.031 -41.269 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -139.67 160.64 39.4 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 123.116 0.566 . . . . 38.520000000000003 109.638 -178.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -40.07 86.78 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.884 0.698 . . . . 44.689999999999998 112.884 168.374 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.33 142.05 51.67 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 127.573 2.349 . . . . 39.619999999999997 111.913 -178.467 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' CYS . . . . . . . . . . . . . 69.6 m -89.73 144.87 25.62 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 116.54 -2.064 . . . . 26.559999999999999 109.884 173.232 -58.371 -47.159 -84.339 106.009 2.013 102.185 -82.637 -49.469 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -75.83 156.49 34.4 Favored 'General case' 0 C--O 1.263 1.772 0 CA-C-N 114.707 -1.133 . . . . 50.729999999999997 108.283 179.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 68.8 p -57.16 -21.11 30.48 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 125.196 1.56 . . . . 34.060000000000002 113.213 -176.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 13.0 p -86.22 -5.88 59.1 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.097 1.359 . . . . 39.68 113.769 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -115.43 169.92 8.79 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 120.077 -0.649 . . . . 32.75 111.633 -167.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -121.96 137.83 54.65 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 107.866 -1.161 . . . . 38.060000000000002 107.866 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -77.43 104.49 7.98 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 114.279 -1.328 . . . . 23.82 110.563 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 23' ' ' MET . 49.8 t80 -96.48 -44.62 7.1 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 117.341 2.349 . . . . 34.57 117.341 -176.323 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.49 -148.33 4.94 Favored Glycine 0 C--O 1.245 0.82 0 O-C-N 121.221 -0.924 . . . . 27.370000000000001 111.992 169.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.7 p -129.06 150.22 50.55 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 123.202 0.601 . . . . 32.689999999999998 111.178 -175.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 m -115.81 113.66 23.7 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 102.093 -3.299 . . . . 31.649999999999999 102.093 172.478 -41.269 -159.031 -88.715 100.961 2.0 99.427 -79.291 -61.492 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.0 m -99.67 126.22 45.65 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.661 -1.237 . . . . 29.82 107.661 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' VAL . . . . . 0.492 ' CG2' ' HZ3' ' C' ' 27' ' ' TRP . 91.6 t -125.64 111.42 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.226 -0.657 . . . . 34.409999999999997 109.226 175.684 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' MET . . . . . . . . . . . . . 54.3 mtm 46.1 43.65 11.08 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 114.45 -1.25 . . . . 48.509999999999998 113.112 -174.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.85 18.65 79.64 Favored Glycine 0 N--CA 1.477 1.391 0 C-N-CA 120.091 -1.052 . . . . 34.43 114.639 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mm -110.21 114.99 48.58 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 N-CA-C 103.959 -2.608 . . . . 35.600000000000001 103.959 169.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -88.84 139.18 30.72 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 115.526 1.676 . . . . 42.0 115.526 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' TRP . . . . . 0.492 ' HZ3' ' CG2' ' C' ' 22' ' ' VAL . 19.3 m-90 -123.38 176.1 6.34 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 107.167 -1.419 . . . . 54.969999999999999 107.167 168.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -93.36 144.83 24.95 Favored 'General case' 0 CA--C 1.495 -1.151 0 O-C-N 124.613 1.196 . . . . 35.18 109.782 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -95.12 100.8 12.56 Favored 'General case' 0 C--O 1.265 1.905 0 N-CA-C 102.744 -3.058 . . . . 30.800000000000001 102.744 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 m -105.01 124.14 49.01 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.843 0.312 . . . . 26.390000000000001 111.843 -172.046 -49.469 -82.637 -84.339 102.185 2.013 106.009 -47.159 -58.371 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' CYS . . . . . . . . . . . . . 85.7 m -117.98 156.43 28.55 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 113.442 0.904 . . . . 29.629999999999999 113.442 -175.158 -59.455 -81.456 109.575 102.851 2.023 106.827 -104.016 -50.699 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' LEU . . . . . 0.444 HD11 ' HA2' ' D' ' 18' ' ' GLY . 2.0 pt? . . . . . 0 C--O 1.258 1.521 0 N-CA-C 109.047 -0.723 . . . . 39.740000000000002 109.047 165.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.791 0 N-CA-C 111.554 0.205 . . . . 44.909999999999997 111.554 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -110.18 138.62 46.32 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.535 -1.654 . . . . 45.439999999999998 106.535 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 47.9 m -112.1 127.8 56.02 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 106.429 -1.693 . . . . 36.75 106.429 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' CYS . . . . . . . . . . . . . 57.0 m -135.86 143.81 45.26 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 124.284 0.99 . . . . 33.039999999999999 110.882 -169.641 -54.169 -94.643 103.133 106.753 2.029 104.446 -91.753 -52.794 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -136.3 153.52 51.14 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 108.336 -0.987 . . . . 38.43 108.336 173.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -85.87 122.03 29.35 Favored 'General case' 0 C--O 1.2 -1.502 0 N-CA-C 104.76 -2.311 . . . . 35.719999999999999 104.76 169.982 -67.513 -80.328 -84.258 104.511 2.083 101.256 -163.258 -43.897 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -139.36 154.09 47.8 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 118.916 0.78 . . . . 41.520000000000003 109.509 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' D' ' 33' ' ' HOH . 3.4 mtm105 -49.68 -50.9 41.83 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 123.952 0.901 . . . . 71.569999999999993 110.665 168.723 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.56 150.16 44.73 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 107.066 -1.457 . . . . 50.030000000000001 107.066 174.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' CYS . . . . . . . . . . . . . 56.8 m -73.6 151.42 40.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.68 0.752 . . . . 38.130000000000003 111.883 175.043 -54.085 -43.597 -81.652 104.625 2.009 100.718 -79.837 -54.909 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -62.23 148.01 46.1 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 105.656 -1.979 . . . . 49.539999999999999 105.656 168.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 72.9 p -49.18 -27.83 3.93 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.788 1.032 . . . . 44.200000000000003 113.788 171.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' THR . . . . . . . . . . . . . 76.9 p -83.47 -3.46 57.61 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 119.028 0.831 . . . . 43.609999999999999 112.92 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -105.14 164.86 11.5 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.303 -0.862 . . . . 40.719999999999999 112.187 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -120.99 144.9 48.27 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 123.967 0.907 . . . . 64.170000000000002 108.609 173.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -90.19 124.95 35.28 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.794 -0.763 . . . . 41.990000000000002 110.353 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -102.69 -4.72 24.66 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 119.354 -0.939 . . . . 44.890000000000001 113.129 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' GLY . . . . . 0.444 ' HA2' HD11 ' C' ' 32' ' ' LEU . . . 159.06 -150.77 21.51 Favored Glycine 0 C--O 1.243 0.708 0 N-CA-C 107.759 -2.136 . . . . 39.759999999999998 107.759 -174.717 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 15.4 p -126.82 151.97 47.59 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.594 0.82 . . . . 36.799999999999997 111.002 -174.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' CYS . . . . . . . . . . . . . 8.0 m -119.91 154.93 33.68 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 104.5 -2.408 . . . . 34.030000000000001 104.5 165.407 -43.897 -163.258 -84.258 101.256 2.083 104.511 -80.328 -67.513 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 61.5 m -130.75 115.82 17.16 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 104.442 -2.429 . . . . 33.609999999999999 104.442 171.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' VAL . . . . . . . . . . . . . 18.5 t -145.68 127.94 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 N-CA-C 102.697 -3.075 . . . . 39.060000000000002 102.697 -172.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' MET . . . . . . . . . . . . . 90.1 mtp 67.24 23.5 9.39 Favored 'General case' 0 C--O 1.248 0.987 0 O-C-N 124.524 1.14 . . . . 55.509999999999998 108.38 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.21 -0.5 79.53 Favored Glycine 0 C--O 1.246 0.894 0 CA-C-O 119.07 -0.85 . . . . 39.280000000000001 113.463 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.88 157.57 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 CA-C-N 117.909 0.855 . . . . 48.979999999999997 113.025 169.804 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 26' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -88.67 140.14 29.76 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 114.946 -1.025 . . . . 43.530000000000001 112.34 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -128.75 164.52 22.82 Favored 'General case' 0 CA--C 1.478 -1.82 0 N-CA-C 105.034 -2.209 . . . . 48.659999999999997 105.034 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.52 139.18 30.74 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 107.344 -1.354 . . . . 67.090000000000003 107.344 167.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -82.5 106.54 14.46 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 116.551 -0.295 . . . . 33.68 110.289 161.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' CYS . . . . . . . . . . . . . 58.7 m -108.46 125.35 51.68 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 123.198 0.599 . . . . 34.740000000000002 111.896 -170.336 -54.909 -79.837 -81.652 100.718 2.009 104.625 -43.597 -54.085 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' CYS . . . . . . . . . . . . . 44.6 m -128.62 153.41 47.28 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 119.66 -0.816 . . . . 35.859999999999999 111.213 -177.881 -52.794 -91.753 103.133 104.446 2.029 106.753 -94.643 -54.169 1 1 . 1 . 001 ecloud build full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--N 1.321 -0.665 0 CA-C-O 123.155 1.455 . . . . 43.530000000000001 111.681 164.465 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 33' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 37' ' ' HOH . . . . . 0.973 ' O ' ' HD3' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 33' ' ' HOH . . . . . 0.488 ' O ' ' HG3' ' D' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.441 0 N-CA-C 105.746 -1.946 . . . . 44.26 105.746 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -92.59 143.18 26.59 Favored 'General case' 0 CA--C 1.501 -0.924 0 N-CA-C 103.991 -2.596 . . . . 42.59 103.991 161.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.7 m -114.58 121.75 44.42 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 107.176 -1.416 . . . . 37.02 107.176 169.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.413 ' HA ' ' O ' ' A' ' 30' ' ' CYS . 24.4 m -125.4 141.9 51.8 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 114.054 1.131 . . . . 32.64 114.054 -172.677 -48.822 -100.829 104.301 106.17 2.042 103.42 -86.033 -54.856 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -130.33 148.66 52.18 Favored 'General case' 0 C--O 1.246 0.876 0 N-CA-C 107.627 -1.249 . . . . 36.91 107.627 173.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 97.0 m -82.17 120.98 26.02 Favored 'General case' 0 C--O 1.211 -0.966 0 CA-C-O 117.591 -1.195 . . . . 28.24 109.422 166.229 -65.292 -80.468 -89.858 102.52 2.07 101.783 -166.007 -40.547 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 66.4 mtt-85 -133.95 159.03 41.97 Favored 'General case' 0 C--O 1.255 1.355 0 CA-C-N 119.072 0.851 . . . . 30.3 111.614 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.973 ' HD3' ' O ' ' C' ' 37' ' ' HOH . 0.0 OUTLIER -63.57 -44.66 93.43 Favored 'General case' 0 N--CA 1.488 1.444 0 CA-C-O 121.701 0.762 . . . . 44.89 109.894 169.677 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -131.18 132.78 44.96 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 126.223 1.809 . . . . 41.49 112.587 178.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 84.4 m -67.31 143.46 56.39 Favored 'General case' 0 CA--C 1.502 -0.895 0 C-N-CA 119.126 -1.03 . . . . 27.57 111.293 175.242 -59.795 -40.096 -79.471 105.218 2.033 105.507 -76.013 -59.466 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 8.9 m-30 -69.34 161.31 29.61 Favored 'General case' 0 C--O 1.252 1.214 0 CA-C-N 115.015 -0.993 . . . . 39.95 109.284 175.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 80.3 p -62.57 -17.6 60.4 Favored 'General case' 0 C--O 1.209 -1.035 0 CA-C-N 114.149 -1.387 . . . . 38.26 112.82 -174.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 6.9 p -92.73 -3.9 54.05 Favored 'General case' 0 N--CA 1.44 -0.926 0 C-N-CA 125.337 1.455 . . . . 39.14 111.978 177.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -117.56 169.21 9.73 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 120.082 -0.647 . . . . 31.36 111.736 -173.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 72.7 m-85 -129.93 164.14 24.87 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 124.346 1.029 . . . . 43.09 109.274 164.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.9 t -85.64 127.33 34.45 Favored 'General case' 0 CA--C 1.488 -1.441 0 CA-C-N 114.604 -1.18 . . . . 30.84 112.272 177.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -112.82 -4.45 13.99 Favored 'General case' 0 C--O 1.193 -1.92 0 CA-C-O 119.649 -0.215 . . . . 35.02 110.77 -177.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.79 ' HA3' ' CE ' ' B' ' 23' ' ' MET . . . 161.62 -159.25 31.14 Favored Glycine 0 N--CA 1.442 -0.958 0 N-CA-C 110.578 -1.009 . . . . 26.89 110.578 -174.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.3 p -127.1 154.62 44.49 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 114.624 1.342 . . . . 33.93 114.624 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.1 m -119.73 148.21 43.68 Favored 'General case' 0 C--O 1.197 -1.667 0 N-CA-C 105.652 -1.981 . . . . 26.5 105.652 167.631 -40.547 -166.007 -89.858 101.783 2.07 102.52 -80.468 -65.292 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 93.1 m -122.54 120.44 33.82 Favored 'General case' 0 CA--C 1.49 -1.329 0 C-N-CA 119.399 -0.92 . . . . 29.99 108.519 167.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.2 t -147.47 147.47 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 O-C-N 124.722 1.264 . . . . 33.29 108.434 177.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' MET . . . . . 0.418 ' HA ' ' CD1' ' C' ' 17' ' ' TYR . 0.0 OUTLIER 59.53 23.59 12.26 Favored 'General case' 0 C--O 1.209 -1.033 0 CA-C-O 120.864 0.364 . . . . 54.22 111.017 -176.734 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 82.34 3.61 90.48 Favored Glycine 0 C--O 1.271 2.422 0 O-C-N 122.054 -0.404 . . . . 29.83 113.344 173.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 9.7 pt -127.45 155.98 38.91 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.306 0 C-N-CA 119.069 -1.052 . . . . 29.79 112.51 -179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -79.63 146.87 32.28 Favored 'General case' 0 C--O 1.214 -0.782 0 O-C-N 125.722 1.889 . . . . 28.63 112.268 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . 0.286 81.1 m95 -136.16 164.49 27.93 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 101.717 -3.438 . . . . 36.79 101.717 175.166 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 mtt85 -96.74 145.56 25.69 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 118.929 0.786 . . . . 46.64 110.525 172.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -90.15 99.56 12.55 Favored 'General case' 0 N--CA 1.423 -1.778 0 N-CA-C 108.845 -0.798 . . . . 31.27 108.845 175.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 4' ' ' CYS . 85.9 m -104.53 128.26 52.45 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.57 1.548 . . . . 27.96 109.308 -167.413 -59.466 -76.013 -79.471 105.507 2.033 105.218 -40.096 -59.795 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.6 m -132.92 151.28 52.07 Favored 'General case' 0 CA--C 1.501 -0.933 0 N-CA-C 109.643 -0.503 . . . . 32.49 109.643 -176.978 -54.856 -86.033 104.301 103.42 2.042 106.17 -100.829 -48.822 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 pt? . . . . . 0 CA--C 1.503 -0.849 0 N-CA-C 107.051 -1.462 . . . . 40.57 107.051 164.526 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 121.779 0.799 . . . . 50.84 110.841 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -115.53 150.43 36.59 Favored 'General case' 0 N--CA 1.442 -0.863 0 N-CA-C 106.275 -1.75 . . . . 45.55 106.275 -174.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . . 4.2 m -128.04 121.42 29.7 Favored 'General case' 0 N--CA 1.443 -0.787 0 N-CA-C 107.296 -1.372 . . . . 45.58 107.296 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' CYS . . . . . . . . . . . . . 56.3 m -122.57 147.21 46.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.1 -0.955 . . . . 42.1 110.479 -170.281 -53.867 -99.281 111.8 104.714 2.032 102.667 -91.579 -52.597 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -136.01 149.48 48.84 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 125.386 1.474 . . . . 43.17 109.914 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' CYS . . . . . . . . . . . . . 74.1 m -82.56 121.42 26.78 Favored 'General case' 0 C--O 1.241 0.65 0 N-CA-C 106.803 -1.554 . . . . 40.57 106.803 169.326 -63.253 -75.258 -85.896 102.92 2.073 100.231 -161.399 -42.789 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ARG . . . . . . . . . . . . . 68.9 mtt-85 -137.3 150.93 48.12 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 106.821 -1.548 . . . . 42.69 106.821 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -42.83 93.16 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.666 0.617 . . . . 70.07 112.666 170.366 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.08 157.09 46.14 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 107.589 -1.263 . . . . 46.99 107.589 167.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 78.1 m -90.17 154.97 19.36 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 107.222 -1.399 . . . . 40.03 107.222 -177.459 -60.784 -48.194 -77.971 105.183 2.031 103.076 -78.135 -55.221 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -63.63 147.63 51.04 Favored 'General case' 0 CA--C 1.501 -0.927 0 N-CA-C 106.841 -1.54 . . . . 48.04 106.841 169.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' SER . . . . . . . . . . . . . 21.2 p -56.64 -24.57 49.17 Favored 'General case' 0 CA--C 1.51 -0.577 0 CA-C-N 115.536 -0.756 . . . . 48.39 110.631 -177.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 63.6 p -82.23 -10.46 59.12 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 113.712 1.004 . . . . 47.92 113.712 178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -100.2 166.69 10.87 Favored 'General case' 0 N--CA 1.468 0.438 0 N-CA-C 113.64 0.978 . . . . 42.8 113.64 -176.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -115.89 140.75 48.93 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.545 0.738 . . . . 56.15 110.879 176.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -82.81 121.69 27.24 Favored 'General case' 0 CA--C 1.499 -0.99 0 N-CA-C 105.647 -1.982 . . . . 45.01 105.647 179.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -131.03 67.95 1.5 Allowed 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 121.507 0.67 . . . . 46.72 109.468 -179.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 88.98 -159.4 28.94 Favored Glycine 0 N--CA 1.466 0.66 0 N-CA-C 111.009 -0.836 . . . . 37.81 111.009 -179.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.2 p -134.61 165.69 24.65 Favored 'General case' 0 N--CA 1.444 -0.753 0 C-N-CA 120.08 -0.648 . . . . 42.09 111.426 -165.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 6.2 m -128.84 128.16 43.34 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 105.035 -2.209 . . . . 39.89 105.035 165.205 -42.789 -161.399 -85.896 100.231 2.073 102.92 -75.258 -63.253 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.6 m -117.77 130.84 56.55 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.382 -0.599 . . . . 40.23 109.382 179.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.71 115.5 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 N-CA-C 105.422 -2.066 . . . . 40.6 105.422 174.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' MET . . . . . 0.79 ' CE ' ' HA3' ' A' ' 18' ' ' GLY . 26.8 mmt 59.27 33.67 22.69 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-O 118.942 -0.552 . . . . 61.62 110.509 177.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 70.58 9.64 65.47 Favored Glycine 0 N--CA 1.483 1.808 0 N-CA-C 120.744 3.058 . . . . 50.05 120.744 -177.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 55.8 mt -92.88 119.87 41.28 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.521 0 N-CA-C 108.073 -1.084 . . . . 58.1 108.073 163.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -95.66 120.24 35.57 Favored 'General case' 0 N--CA 1.421 -1.879 0 CA-C-N 114.202 -1.363 . . . . 53.05 113.021 -168.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -113.61 174.77 5.76 Favored 'General case' 0 C--O 1.212 -0.896 0 N-CA-C 108.772 -0.825 . . . . 53.78 108.772 -176.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 57.2 mmt-85 -99.8 145.16 28.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 120.453 -0.499 . . . . 65.79 111.943 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -92.56 106.96 18.85 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 106.044 -1.836 . . . . 36.6 106.044 171.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 59.4 m -103.96 115.96 31.4 Favored 'General case' 0 C--O 1.215 -0.759 0 C-N-CA 124.107 0.963 . . . . 38.36 113.512 -171.402 -55.221 -78.135 -77.971 103.076 2.031 105.183 -48.194 -60.784 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 41.6 m -116.7 151.92 35.37 Favored 'General case' 0 CA--C 1.514 -0.435 0 O-C-N 121.419 -0.8 . . . . 42.4 112.991 -176.588 -52.597 -91.579 111.8 102.667 2.032 104.714 -99.281 -53.867 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.442 -0.843 0 CA-C-O 123.776 1.751 . . . . 53.07 109.393 170.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.545 0 N-CA-C 110.233 -0.284 . . . . 46.3 110.233 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -105.76 139.48 40.27 Favored 'General case' 0 C--O 1.25 1.08 0 N-CA-C 107.506 -1.294 . . . . 48.96 107.506 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 84.3 m -106.55 126.35 52.16 Favored 'General case' 0 C--O 1.213 -0.823 0 CA-C-N 116.394 -0.366 . . . . 39.46 111.238 172.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' CYS . . . . . . . . . . . . . 33.7 m -124.36 144.31 50.1 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 112.306 0.484 . . . . 33.89 112.306 -178.359 -50.699 -104.016 109.575 106.827 2.023 102.851 -81.456 -59.455 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -132.59 144.6 50.49 Favored 'General case' 0 CA--C 1.507 -0.688 0 C-N-CA 125.861 1.665 . . . . 40.41 106.757 178.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 74.3 m -80.88 120.31 24.55 Favored 'General case' 0 C--O 1.209 -1.051 0 C-N-CA 124.656 1.182 . . . . 34.8 108.248 163.574 -61.492 -79.291 -88.715 99.427 2.0 100.961 -159.031 -41.269 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ARG . . . . . . . . . . . . . 65.5 mtt-85 -139.67 160.64 39.4 Favored 'General case' 0 C--O 1.207 -1.155 0 C-N-CA 123.116 0.566 . . . . 38.52 109.638 -178.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.12 -40.07 86.78 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 112.884 0.698 . . . . 44.69 112.884 168.374 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -126.33 142.05 51.67 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 127.573 2.349 . . . . 39.62 111.913 -178.467 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' CYS . . . . . . . . . . . . . 69.6 m -89.73 144.87 25.62 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 116.54 -2.064 . . . . 26.56 109.884 173.232 -58.371 -47.159 -84.339 106.009 2.013 102.185 -82.637 -49.469 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -75.83 156.49 34.4 Favored 'General case' 0 C--O 1.263 1.772 0 CA-C-N 114.707 -1.133 . . . . 50.73 108.283 179.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 68.8 p -57.16 -21.11 30.48 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 125.196 1.56 . . . . 34.06 113.213 -176.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 13.0 p -86.22 -5.88 59.1 Favored 'General case' 0 CA--C 1.568 1.659 0 C-N-CA 125.097 1.359 . . . . 39.68 113.769 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -115.43 169.92 8.79 Favored 'General case' 0 C--O 1.243 0.719 0 C-N-CA 120.077 -0.649 . . . . 32.75 111.633 -167.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -121.96 137.83 54.65 Favored 'General case' 0 C--O 1.249 1.075 0 N-CA-C 107.866 -1.161 . . . . 38.06 107.866 174.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' SER . . . . . . . . . . . . . 6.3 t -77.43 104.49 7.98 Favored 'General case' 0 C--O 1.247 0.969 0 CA-C-N 114.279 -1.328 . . . . 23.82 110.563 175.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 23' ' ' MET . 49.8 t80 -96.48 -44.62 7.1 Favored 'General case' 0 C--N 1.316 -0.885 0 N-CA-C 117.341 2.349 . . . . 34.57 117.341 -176.323 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' GLY . . . . . . . . . . . . . . . -154.49 -148.33 4.94 Favored Glycine 0 C--O 1.245 0.82 0 O-C-N 121.221 -0.924 . . . . 27.37 111.992 169.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 31.7 p -129.06 150.22 50.55 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 123.202 0.601 . . . . 32.69 111.178 -175.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 4.5 m -115.81 113.66 23.7 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 102.093 -3.299 . . . . 31.65 102.093 172.478 -41.269 -159.031 -88.715 100.961 2.0 99.427 -79.291 -61.492 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 20.0 m -99.67 126.22 45.65 Favored 'General case' 0 N--CA 1.442 -0.84 0 N-CA-C 107.661 -1.237 . . . . 29.82 107.661 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' VAL . . . . . 0.492 ' CG2' ' HZ3' ' C' ' 27' ' ' TRP . 91.6 t -125.64 111.42 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 N-CA-C 109.226 -0.657 . . . . 34.41 109.226 175.684 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' MET . . . . . . . . . . . . . 54.3 mtm 46.1 43.65 11.08 Favored 'General case' 0 CA--C 1.558 1.265 0 CA-C-N 114.45 -1.25 . . . . 48.51 113.112 -174.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 73.85 18.65 79.64 Favored Glycine 0 N--CA 1.477 1.391 0 C-N-CA 120.091 -1.052 . . . . 34.43 114.639 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 38.1 mm -110.21 114.99 48.58 Favored 'Isoleucine or valine' 0 C--O 1.242 0.68 0 N-CA-C 103.959 -2.608 . . . . 35.6 103.959 169.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -88.84 139.18 30.72 Favored 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 115.526 1.676 . . . . 42.0 115.526 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' TRP . . . . . 0.492 ' HZ3' ' CG2' ' C' ' 22' ' ' VAL . 19.3 m-90 -123.38 176.1 6.34 Favored 'General case' 0 CA--C 1.507 -0.696 0 N-CA-C 107.167 -1.419 . . . . 54.97 107.167 168.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ARG . . . . . . . . . . . . . 92.0 mtt-85 -93.36 144.83 24.95 Favored 'General case' 0 CA--C 1.495 -1.151 0 O-C-N 124.613 1.196 . . . . 35.18 109.782 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' PHE . . . . . . . . . . . . . 50.1 t80 -95.12 100.8 12.56 Favored 'General case' 0 C--O 1.265 1.905 0 N-CA-C 102.744 -3.058 . . . . 30.8 102.744 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' CYS . . . . . . . . . . . . . 28.2 m -105.01 124.14 49.01 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 111.843 0.312 . . . . 26.39 111.843 -172.046 -49.469 -82.637 -84.339 102.185 2.013 106.009 -47.159 -58.371 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' CYS . . . . . . . . . . . . . 85.7 m -117.98 156.43 28.55 Favored 'General case' 0 C--O 1.218 -0.583 0 N-CA-C 113.442 0.904 . . . . 29.63 113.442 -175.158 -59.455 -81.456 109.575 102.851 2.023 106.827 -104.016 -50.699 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' LEU . . . . . 0.444 HD11 ' HA2' ' D' ' 18' ' ' GLY . 2.0 pt? . . . . . 0 C--O 1.258 1.521 0 N-CA-C 109.047 -0.723 . . . . 39.74 109.047 165.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.515 2.791 0 N-CA-C 111.554 0.205 . . . . 44.91 111.554 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' PHE . . . . . . . . . . . . . 89.1 m-85 -110.18 138.62 46.32 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 106.535 -1.654 . . . . 45.44 106.535 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 47.9 m -112.1 127.8 56.02 Favored 'General case' 0 CA--C 1.499 -1.009 0 N-CA-C 106.429 -1.693 . . . . 36.75 106.429 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' CYS . . . . . . . . . . . . . 57.0 m -135.86 143.81 45.26 Favored 'General case' 0 C--O 1.211 -0.97 0 O-C-N 124.284 0.99 . . . . 33.04 110.882 -169.641 -54.169 -94.643 103.133 106.753 2.029 104.446 -91.753 -52.794 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -136.3 153.52 51.14 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 108.336 -0.987 . . . . 38.43 108.336 173.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -85.87 122.03 29.35 Favored 'General case' 0 C--O 1.2 -1.502 0 N-CA-C 104.76 -2.311 . . . . 35.72 104.76 169.982 -67.513 -80.328 -84.258 104.511 2.083 101.256 -163.258 -43.897 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ARG . . . . . . . . . . . . . 52.0 mtt-85 -139.36 154.09 47.8 Favored 'General case' 0 C--O 1.241 0.645 0 CA-C-N 118.916 0.78 . . . . 41.52 109.509 -178.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' D' ' 33' ' ' HOH . 3.4 mtm105 -49.68 -50.9 41.83 Favored 'General case' 0 CA--C 1.508 -0.663 0 C-N-CA 123.952 0.901 . . . . 71.57 110.665 168.723 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -139.56 150.16 44.73 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 107.066 -1.457 . . . . 50.03 107.066 174.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' CYS . . . . . . . . . . . . . 56.8 m -73.6 151.42 40.89 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.68 0.752 . . . . 38.13 111.883 175.043 -54.085 -43.597 -81.652 104.625 2.009 100.718 -79.837 -54.909 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -62.23 148.01 46.1 Favored 'General case' 0 N--CA 1.432 -1.327 0 N-CA-C 105.656 -1.979 . . . . 49.54 105.656 168.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' SER . . . . . . . . . . . . . 72.9 p -49.18 -27.83 3.93 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 113.788 1.032 . . . . 44.2 113.788 171.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' THR . . . . . . . . . . . . . 76.9 p -83.47 -3.46 57.61 Favored 'General case' 0 CA--C 1.561 1.379 0 CA-C-N 119.028 0.831 . . . . 43.61 112.92 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -105.14 164.86 11.5 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.303 -0.862 . . . . 40.72 112.187 -177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -120.99 144.9 48.27 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 123.967 0.907 . . . . 64.17 108.609 173.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' SER . . . . . . . . . . . . . 30.2 t -90.19 124.95 35.28 Favored 'General case' 0 C--N 1.315 -0.903 0 C-N-CA 119.794 -0.763 . . . . 41.99 110.353 179.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -102.69 -4.72 24.66 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 119.354 -0.939 . . . . 44.89 113.129 -175.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' GLY . . . . . 0.444 ' HA2' HD11 ' C' ' 32' ' ' LEU . . . 159.06 -150.77 21.51 Favored Glycine 0 C--O 1.243 0.708 0 N-CA-C 107.759 -2.136 . . . . 39.76 107.759 -174.717 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 15.4 p -126.82 151.97 47.59 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.594 0.82 . . . . 36.8 111.002 -174.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' CYS . . . . . . . . . . . . . 8.0 m -119.91 154.93 33.68 Favored 'General case' 0 CA--C 1.496 -1.12 0 N-CA-C 104.5 -2.408 . . . . 34.03 104.5 165.407 -43.897 -163.258 -84.258 101.256 2.083 104.511 -80.328 -67.513 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 61.5 m -130.75 115.82 17.16 Favored 'General case' 0 C--O 1.216 -0.705 0 N-CA-C 104.442 -2.429 . . . . 33.61 104.442 171.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' VAL . . . . . . . . . . . . . 18.5 t -145.68 127.94 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.171 0 N-CA-C 102.697 -3.075 . . . . 39.06 102.697 -172.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' MET . . . . . . . . . . . . . 90.1 mtp 67.24 23.5 9.39 Favored 'General case' 0 C--O 1.248 0.987 0 O-C-N 124.524 1.14 . . . . 55.51 108.38 178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.21 -0.5 79.53 Favored Glycine 0 C--O 1.246 0.894 0 CA-C-O 119.07 -0.85 . . . . 39.28 113.463 174.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.88 157.57 8.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.464 0 CA-C-N 117.909 0.855 . . . . 48.98 113.025 169.804 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -88.67 140.14 29.76 Favored 'General case' 0 C--O 1.251 1.148 0 CA-C-N 114.946 -1.025 . . . . 43.53 112.34 177.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' TRP . . . . . . . . . . . . . 18.0 m95 -128.75 164.52 22.82 Favored 'General case' 0 CA--C 1.478 -1.82 0 N-CA-C 105.034 -2.209 . . . . 48.66 105.034 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -88.52 139.18 30.74 Favored 'General case' 0 CA--C 1.551 0.994 0 N-CA-C 107.344 -1.354 . . . . 67.09 107.344 167.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -82.5 106.54 14.46 Favored 'General case' 0 C--O 1.28 2.674 0 CA-C-N 116.551 -0.295 . . . . 33.68 110.289 161.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' CYS . . . . . . . . . . . . . 58.7 m -108.46 125.35 51.68 Favored 'General case' 0 CA--C 1.497 -1.084 0 C-N-CA 123.198 0.599 . . . . 34.74 111.896 -170.336 -54.909 -79.837 -81.652 100.718 2.009 104.625 -43.597 -54.085 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' CYS . . . . . . . . . . . . . 44.6 m -128.62 153.41 47.28 Favored 'General case' 0 C--N 1.314 -0.964 0 C-N-CA 119.66 -0.816 . . . . 35.86 111.213 -177.881 -52.794 -91.753 103.133 104.446 2.029 106.753 -94.643 -54.169 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? . . . . . 0 C--N 1.321 -0.665 0 CA-C-O 123.155 1.455 . . . . 43.53 111.681 164.465 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' HOH . . . . . 0.973 ' O ' ' HD3' ' A' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' HOH . . . . . 0.488 ' O ' ' HG3' ' D' ' 8' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_