data_6nl8_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6nl8 _Structure_validation_residue.Date_analyzed 2019-01-18 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' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.87 -0.418 . . . . 27.36 109.87 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.5 m -89.11 121.34 31.34 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.503 0.668 . . . . 31.26 109.205 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.46 154.29 21.05 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 125.296 1.439 . . . . 21.57 107.784 176.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -124.82 143.91 50.56 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 113.882 -1.508 . . . . 73.91 108.858 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.5 tp -114.55 121.3 43.04 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.759 1.223 . . . . 26.41 108.791 169.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.6 mt -100.53 123.12 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 106.108 -1.812 . . . . 36.15 106.108 172.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -104.47 118.32 36.33 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 106.789 -1.56 . . . . 38.03 106.789 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 204' ' ' HOH . 0.9 OUTLIER -116.22 71.21 0.78 Allowed 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.908 -1.516 . . . . 34.37 106.908 172.465 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.23 170.13 24.45 Favored Glycine 0 C--O 1.238 0.398 0 N-CA-C 109.932 -1.267 . . . . 33.62 109.932 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -38.45 63.19 Favored 'General case' 0 C--O 1.262 1.75 0 CA-C-O 117.429 -1.272 . . . . 96.19 108.355 179.947 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . 0.515 ' CG2' ' CD2' ' A' ' 12' ' ' HIS . 3.7 t -108.49 -16.76 14.14 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 124.296 0.998 . . . . 75.28 112.157 -176.347 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HIS . . . . . 0.705 ' CE1' ' O ' ' A' ' 205' ' ' HOH . 11.4 m-70 -132.16 125.22 30.7 Favored 'General case' 0 C--O 1.259 1.565 0 N-CA-C 107.815 -1.18 . . . . 54.08 107.815 -176.75 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -123.47 154.34 39.24 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 105.303 -2.11 . . . . 57.03 105.303 172.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.51 -158.21 27.59 Favored Glycine 0 C--O 1.248 1.006 0 O-C-N 125.026 1.454 . . . . 30.01 111.878 164.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -144.4 131.86 20.95 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 125.809 1.535 . . . . 67.98 107.552 -167.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.2 mt -125.71 141.8 51.83 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 125.706 1.602 . . . . 32.56 108.648 174.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.0 p -123.35 149.66 44.64 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 109.927 -0.397 . . . . 36.37 109.927 175.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -152.43 153.01 32.69 Favored 'General case' 0 C--O 1.207 -1.153 0 O-C-N 124.62 1.2 . . . . 44.46 110.428 174.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -91.85 130.4 37.63 Favored 'General case' 0 C--O 1.287 3.061 0 O-C-N 125.308 1.63 . . . . 29.64 107.727 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.57 146.47 30.47 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.394 -0.816 . . . . 22.67 109.671 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.06 -18.43 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 118.245 -0.883 . . . . 37.89 112.208 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -154.85 165.94 35.05 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 119.473 1.033 . . . . 28.87 109.576 173.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.2 74.18 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-O 117.388 -1.291 . . . . 23.65 110.38 -170.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.35 93.65 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 124.734 1.272 . . . . 28.55 110.133 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.1 m -59.96 -49.51 77.41 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 108.336 -0.987 . . . . 25.12 108.336 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.25 98.43 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 118.698 -1.201 . . . . 21.22 110.747 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -65.52 -40.63 93.19 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-O 117.64 -1.171 . . . . 25.4 110.886 -174.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.33 -43.57 98.65 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.679 1.237 . . . . 65.16 110.13 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HIS . . . . . 0.615 ' NE2' 'CL ' ' A' ' 103' ' ' ' CL' . 2.7 t-160 -55.6 -51.58 66.68 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 125.093 1.357 . . . . 43.74 107.936 175.447 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.3 -38.58 78.34 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.2 0.815 . . . . 25.17 113.2 -175.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -60.55 -38.67 85.25 Favored 'General case' 0 C--O 1.269 2.117 0 N-CA-C 106.722 -1.584 . . . . 36.3 106.722 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . 0.45 ' CG ' ' O ' ' A' ' 207' ' ' HOH . 0.1 OUTLIER -60.56 -48.81 80.14 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 118.335 -0.84 . . . . 98.26 109.722 176.253 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . 0.996 ' CE1' 'CL ' ' A' ' 103' ' ' ' CL' . 4.8 m-70 -62.59 -42.26 99.46 Favored 'General case' 0 C--O 1.274 2.381 0 N-CA-C 113.472 0.915 . . . . 47.98 113.472 177.806 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.76 92.0 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 119.813 -1.805 . . . . 30.84 107.07 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -60.97 -50.52 73.05 Favored 'General case' 0 C--O 1.279 2.638 0 O-C-N 125.069 1.481 . . . . 59.96 108.197 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -54.14 -39.87 66.87 Favored 'General case' 0 C--O 1.256 1.419 0 C-N-CA 124.523 1.129 . . . . 56.74 110.134 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 59.2 mt -90.86 2.4 56.18 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-O 117.472 -1.251 . . . . 52.08 111.281 -173.778 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.78 30.25 59.97 Favored Glycine 0 C--O 1.267 2.193 0 O-C-N 124.65 1.219 . . . . 41.78 110.68 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.5 t -108.9 107.95 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 N-CA-C 107.479 -1.304 . . . . 41.63 107.479 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -118.0 107.46 14.07 Favored 'General case' 0 C--O 1.251 1.156 0 N-CA-C 106.558 -1.645 . . . . 91.2 106.558 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.34 -164.78 12.88 Favored Glycine 1 C--O 1.3 4.277 0 N-CA-C 111.009 -0.836 . . . . 40.55 111.009 -173.442 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -88.7 133.79 34.11 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 106.79 -1.559 . . . . 84.58 106.79 -179.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -102.6 136.14 42.97 Favored 'General case' 0 C--O 1.291 3.26 0 C-N-CA 125.826 1.65 . . . . 33.98 108.731 -177.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 p -132.3 157.18 45.1 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 124.827 1.33 . . . . 39.92 107.878 166.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -134.55 136.43 43.03 Favored 'General case' 0 C--O 1.276 2.487 0 N-CA-C 106.761 -1.57 . . . . 26.26 106.761 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -115.45 106.84 14.44 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 125.348 1.655 . . . . 39.36 108.429 172.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.63 -38.86 92.46 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 119.474 -0.891 . . . . 38.99 112.724 -179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.95 -37.03 70.98 Favored 'General case' 0 C--O 1.266 1.942 0 C-N-CA 119.44 -0.904 . . . . 36.41 112.36 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.7 p -110.37 11.56 23.28 Favored 'General case' 0 C--O 1.25 1.081 0 CA-C-O 117.923 -1.037 . . . . 30.45 112.416 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 45.81 50.84 10.84 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 124.641 1.213 . . . . 32.94 109.712 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.3 m -127.67 119.44 25.86 Favored 'General case' 0 C--O 1.25 1.086 0 CA-C-N 115.771 -0.65 . . . . 26.55 110.739 -171.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -94.24 139.74 30.66 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.188 -1.041 . . . . 22.92 108.188 169.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.6 m -121.08 138.34 54.23 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.911 -1.144 . . . . 33.1 107.911 172.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.6 p -121.18 119.4 59.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.733 -1.21 . . . . 29.85 107.733 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.9 m -121.01 125.67 47.94 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 124.114 0.966 . . . . 43.86 109.829 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 107.186 -1.413 . . . . 58.01 107.186 178.164 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ' CL' . . . . . 0.996 'CL ' ' CE1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.687 ' O ' ' ND1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.466 ' O ' ' ND2' ' A' ' 8' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . 0.705 ' O ' ' CE1' ' A' ' 12' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . 0.45 ' O ' ' CG ' ' A' ' 32' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.87 -0.418 . . . . 27.36 109.87 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.5 m -89.11 121.34 31.34 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.503 0.668 . . . . 31.26 109.205 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.46 154.29 21.05 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 125.296 1.439 . . . . 21.57 107.784 176.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -124.82 143.91 50.56 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 113.882 -1.508 . . . . 73.91 108.858 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.5 tp -114.55 121.3 43.04 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.759 1.223 . . . . 26.41 108.791 169.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.6 mt -100.53 123.12 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 106.108 -1.812 . . . . 36.15 106.108 172.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -104.47 118.32 36.33 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 106.789 -1.56 . . . . 38.03 106.789 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 204' ' ' HOH . 50.2 t-20 -116.22 71.21 0.78 Allowed 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.908 -1.516 . . . . 42.77 106.908 172.465 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.23 170.13 24.45 Favored Glycine 0 C--O 1.238 0.398 0 N-CA-C 109.932 -1.267 . . . . 33.62 109.932 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -38.45 63.19 Favored 'General case' 0 C--O 1.262 1.75 0 CA-C-O 117.429 -1.272 . . . . 96.19 108.355 179.947 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . 0.962 HG23 ' CD2' ' A' ' 12' ' ' HIS . 3.7 t -108.49 -16.76 14.14 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 124.296 0.998 . . . . 75.28 112.157 -176.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HIS . . . . . 0.962 ' CD2' HG23 ' A' ' 11' ' ' THR . 11.4 m-70 -132.16 125.22 30.7 Favored 'General case' 0 C--O 1.259 1.565 0 N-CA-C 107.815 -1.18 . . . . 54.08 107.815 -176.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -123.47 154.34 39.24 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 105.303 -2.11 . . . . 57.03 105.303 172.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.51 -158.21 27.59 Favored Glycine 0 C--O 1.248 1.006 0 O-C-N 125.026 1.454 . . . . 30.01 111.878 164.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -144.4 131.86 20.95 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 125.809 1.535 . . . . 67.98 107.552 -167.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.2 mt -125.71 141.8 51.83 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 125.706 1.602 . . . . 32.56 108.648 174.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.0 p -123.35 149.66 44.64 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 109.927 -0.397 . . . . 36.37 109.927 175.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -152.43 153.01 32.69 Favored 'General case' 0 C--O 1.207 -1.153 0 O-C-N 124.62 1.2 . . . . 44.46 110.428 174.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -91.85 130.4 37.63 Favored 'General case' 0 C--O 1.287 3.061 0 O-C-N 125.308 1.63 . . . . 29.64 107.727 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.57 146.47 30.47 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.394 -0.816 . . . . 22.67 109.671 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.06 -18.43 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 118.245 -0.883 . . . . 37.89 112.208 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -154.85 165.94 35.05 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 119.473 1.033 . . . . 28.87 109.576 173.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.2 74.18 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-O 117.388 -1.291 . . . . 23.65 110.38 -170.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.35 93.65 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 124.734 1.272 . . . . 28.55 110.133 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.1 m -59.96 -49.51 77.41 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 108.336 -0.987 . . . . 25.12 108.336 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.25 98.43 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 118.698 -1.201 . . . . 21.22 110.747 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -65.52 -40.63 93.19 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-O 117.64 -1.171 . . . . 25.4 110.886 -174.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.33 -43.57 98.65 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.679 1.237 . . . . 65.16 110.13 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HIS . . . . . 0.615 ' NE2' 'CL ' ' A' ' 103' ' ' ' CL' . 2.7 t-160 -55.6 -51.58 66.68 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 125.093 1.357 . . . . 43.74 107.936 175.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.3 -38.58 78.34 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.2 0.815 . . . . 25.17 113.2 -175.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -60.55 -38.67 85.25 Favored 'General case' 0 C--O 1.269 2.117 0 N-CA-C 106.722 -1.584 . . . . 36.3 106.722 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 207' ' ' HOH . 0.1 OUTLIER -60.56 -48.81 80.14 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 118.335 -0.84 . . . . 98.26 109.722 176.253 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . 0.996 ' CE1' 'CL ' ' A' ' 103' ' ' ' CL' . 4.8 m-70 -62.59 -42.26 99.46 Favored 'General case' 0 C--O 1.274 2.381 0 N-CA-C 113.472 0.915 . . . . 47.98 113.472 177.806 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.76 92.0 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 119.813 -1.805 . . . . 30.84 107.07 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -60.97 -50.52 73.05 Favored 'General case' 0 C--O 1.279 2.638 0 O-C-N 125.069 1.481 . . . . 59.96 108.197 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -54.14 -39.87 66.87 Favored 'General case' 0 C--O 1.256 1.419 0 C-N-CA 124.523 1.129 . . . . 56.74 110.134 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 59.2 mt -90.86 2.4 56.18 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-O 117.472 -1.251 . . . . 52.08 111.281 -173.778 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.78 30.25 59.97 Favored Glycine 0 C--O 1.267 2.193 0 O-C-N 124.65 1.219 . . . . 41.78 110.68 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.5 t -108.9 107.95 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 N-CA-C 107.479 -1.304 . . . . 41.63 107.479 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -118.0 107.46 14.07 Favored 'General case' 0 C--O 1.251 1.156 0 N-CA-C 106.558 -1.645 . . . . 91.2 106.558 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.34 -164.78 12.88 Favored Glycine 1 C--O 1.3 4.277 0 N-CA-C 111.009 -0.836 . . . . 40.55 111.009 -173.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -88.7 133.79 34.11 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 106.79 -1.559 . . . . 84.58 106.79 -179.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -102.6 136.14 42.97 Favored 'General case' 0 C--O 1.291 3.26 0 C-N-CA 125.826 1.65 . . . . 33.98 108.731 -177.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 p -132.3 157.18 45.1 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 124.827 1.33 . . . . 39.92 107.878 166.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -134.55 136.43 43.03 Favored 'General case' 0 C--O 1.276 2.487 0 N-CA-C 106.761 -1.57 . . . . 26.26 106.761 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -115.45 106.84 14.44 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 125.348 1.655 . . . . 39.36 108.429 172.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.63 -38.86 92.46 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 119.474 -0.891 . . . . 38.99 112.724 -179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.95 -37.03 70.98 Favored 'General case' 0 C--O 1.266 1.942 0 C-N-CA 119.44 -0.904 . . . . 36.41 112.36 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.7 p -110.37 11.56 23.28 Favored 'General case' 0 C--O 1.25 1.081 0 CA-C-O 117.923 -1.037 . . . . 30.45 112.416 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 45.81 50.84 10.84 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 124.641 1.213 . . . . 32.94 109.712 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.3 m -127.67 119.44 25.86 Favored 'General case' 0 C--O 1.25 1.086 0 CA-C-N 115.771 -0.65 . . . . 26.55 110.739 -171.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -94.24 139.74 30.66 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.188 -1.041 . . . . 22.92 108.188 169.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.6 m -121.08 138.34 54.23 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.911 -1.144 . . . . 33.1 107.911 172.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.6 p -121.18 119.4 59.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.733 -1.21 . . . . 29.85 107.733 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.9 m -121.01 125.67 47.94 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 124.114 0.966 . . . . 43.86 109.829 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 107.186 -1.413 . . . . 58.01 107.186 178.164 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ' CL' . . . . . 0.996 'CL ' ' CE1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.436 ' O ' ' ND1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . 0.466 ' O ' ' ND2' ' A' ' 8' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . 0.705 ' O ' ' CE1' ' A' ' 12' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . 0.495 ' O ' ' HG2' ' A' ' 32' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . 0.685 ' O ' HG22 ' A' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.87 -0.418 . . . . 27.359999999999999 109.87 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.5 m -89.11 121.34 31.34 Favored 'General case' 0 C--N 1.295 -1.772 0 CA-C-O 121.503 0.668 . . . . 31.260000000000002 109.205 177.336 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -106.46 154.29 21.05 Favored 'General case' 0 C--N 1.308 -1.236 0 C-N-CA 125.296 1.439 . . . . 21.57 107.784 176.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -124.82 143.91 50.56 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 113.882 -1.508 . . . . 73.909999999999997 108.858 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 41.5 tp -114.55 121.3 43.04 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 124.759 1.223 . . . . 26.41 108.791 169.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 92.6 mt -100.53 123.12 53.26 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.394 0 N-CA-C 106.108 -1.812 . . . . 36.149999999999999 106.108 172.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -104.47 118.32 36.33 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 106.789 -1.56 . . . . 38.030000000000001 106.789 178.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 204' ' ' HOH . 0.9 OUTLIER -116.22 71.21 0.78 Allowed 'General case' 0 C--N 1.31 -1.119 0 N-CA-C 106.908 -1.516 . . . . 42.770000000000003 106.908 172.465 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.23 170.13 24.45 Favored Glycine 0 C--O 1.238 0.398 0 N-CA-C 109.932 -1.267 . . . . 33.619999999999997 109.932 -177.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.36 -38.45 63.19 Favored 'General case' 0 C--O 1.262 1.75 0 CA-C-O 117.429 -1.272 . . . . 96.189999999999998 108.355 179.947 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . 0.962 HG23 ' CD2' ' A' ' 12' ' ' HIS . 3.7 t -108.49 -16.76 14.14 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 124.296 0.998 . . . . 75.280000000000001 112.157 -176.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.962 ' CD2' HG23 ' A' ' 11' ' ' THR . 11.4 m-70 -132.16 125.22 30.7 Favored 'General case' 0 C--O 1.259 1.565 0 N-CA-C 107.815 -1.18 . . . . 54.079999999999998 107.815 -176.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -123.47 154.34 39.24 Favored 'General case' 0 C--O 1.253 1.254 0 N-CA-C 105.303 -2.11 . . . . 57.030000000000001 105.303 172.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 148.51 -158.21 27.59 Favored Glycine 0 C--O 1.248 1.006 0 O-C-N 125.026 1.454 . . . . 30.010000000000002 111.878 164.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -144.4 131.86 20.95 Favored 'General case' 0 N--CA 1.486 1.327 0 O-C-N 125.809 1.535 . . . . 67.980000000000004 107.552 -167.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.2 mt -125.71 141.8 51.83 Favored 'General case' 0 C--N 1.315 -0.914 0 C-N-CA 125.706 1.602 . . . . 32.560000000000002 108.648 174.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 47.0 p -123.35 149.66 44.64 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 109.927 -0.397 . . . . 36.369999999999997 109.927 175.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.0 t -152.43 153.01 32.69 Favored 'General case' 0 C--O 1.207 -1.153 0 O-C-N 124.62 1.2 . . . . 44.460000000000001 110.428 174.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -91.85 130.4 37.63 Favored 'General case' 0 C--O 1.287 3.061 0 O-C-N 125.308 1.63 . . . . 29.640000000000001 107.727 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -146.57 146.47 30.47 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 121.394 -0.816 . . . . 22.670000000000002 109.671 178.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.06 -18.43 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 118.245 -0.883 . . . . 37.890000000000001 112.208 -178.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 40.1 p30 -154.85 165.94 35.05 Favored 'General case' 0 C--O 1.211 -0.965 0 CA-C-N 119.473 1.033 . . . . 28.870000000000001 109.576 173.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.38 -34.2 74.18 Favored 'General case' 0 C--O 1.254 1.292 0 CA-C-O 117.388 -1.291 . . . . 23.649999999999999 110.38 -170.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.35 93.65 Favored 'General case' 0 C--O 1.263 1.809 0 O-C-N 124.734 1.272 . . . . 28.550000000000001 110.133 179.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 92.1 m -59.96 -49.51 77.41 Favored 'General case' 0 C--O 1.267 1.99 0 N-CA-C 108.336 -0.987 . . . . 25.120000000000001 108.336 177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.53 -42.25 98.43 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 118.698 -1.201 . . . . 21.219999999999999 110.747 178.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 70.1 tt0 -65.52 -40.63 93.19 Favored 'General case' 0 C--O 1.2 -1.531 0 CA-C-O 117.64 -1.171 . . . . 25.399999999999999 110.886 -174.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -61.33 -43.57 98.65 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.679 1.237 . . . . 65.159999999999997 110.13 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.615 ' NE2' 'CL ' ' A' ' 103' ' ' ' CL' . 2.7 t-160 -55.6 -51.58 66.68 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 125.093 1.357 . . . . 43.740000000000002 107.936 175.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -69.3 -38.58 78.34 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.2 0.815 . . . . 25.170000000000002 113.2 -175.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -60.55 -38.67 85.25 Favored 'General case' 0 C--O 1.269 2.117 0 N-CA-C 106.722 -1.584 . . . . 36.299999999999997 106.722 179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 207' ' ' HOH . 0.1 OUTLIER -60.56 -48.81 80.14 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 118.335 -0.84 . . . . 98.260000000000005 109.722 176.253 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.996 ' CE1' 'CL ' ' A' ' 103' ' ' ' CL' . 4.8 m-70 -62.59 -42.26 99.46 Favored 'General case' 0 C--O 1.274 2.381 0 N-CA-C 113.472 0.915 . . . . 47.979999999999997 113.472 177.806 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.44 -39.76 92.0 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 119.813 -1.805 . . . . 30.84 107.07 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -60.97 -50.52 73.05 Favored 'General case' 0 C--O 1.279 2.638 0 O-C-N 125.069 1.481 . . . . 59.960000000000001 108.197 178.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -54.14 -39.87 66.87 Favored 'General case' 0 C--O 1.256 1.419 0 C-N-CA 124.523 1.129 . . . . 56.740000000000002 110.134 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.565 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 59.2 mt -90.86 2.4 56.18 Favored 'General case' 0 C--O 1.256 1.408 0 CA-C-O 117.472 -1.251 . . . . 52.079999999999998 111.281 -173.778 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.78 30.25 59.97 Favored Glycine 0 C--O 1.267 2.193 0 O-C-N 124.65 1.219 . . . . 41.780000000000001 110.68 174.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.5 t -108.9 107.95 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 N-CA-C 107.479 -1.304 . . . . 41.630000000000003 107.479 -178.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 38.9 t0 -118.0 107.46 14.07 Favored 'General case' 0 C--O 1.251 1.156 0 N-CA-C 106.558 -1.645 . . . . 91.200000000000003 106.558 -179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -153.34 -164.78 12.88 Favored Glycine 1 C--O 1.3 4.277 0 N-CA-C 111.009 -0.836 . . . . 40.549999999999997 111.009 -173.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -88.7 133.79 34.11 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 106.79 -1.559 . . . . 84.579999999999998 106.79 -179.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 57.2 m95 -102.6 136.14 42.97 Favored 'General case' 0 C--O 1.291 3.26 0 C-N-CA 125.826 1.65 . . . . 33.979999999999997 108.731 -177.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.4 p -132.3 157.18 45.1 Favored 'General case' 0 C--N 1.308 -1.222 0 O-C-N 124.827 1.33 . . . . 39.920000000000002 107.878 166.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -134.55 136.43 43.03 Favored 'General case' 0 C--O 1.276 2.487 0 N-CA-C 106.761 -1.57 . . . . 26.260000000000002 106.761 177.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -115.45 106.84 14.44 Favored 'General case' 0 C--N 1.317 -0.833 0 O-C-N 125.348 1.655 . . . . 39.359999999999999 108.429 172.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -64.63 -38.86 92.46 Favored 'General case' 0 CA--C 1.503 -0.833 0 C-N-CA 119.474 -0.891 . . . . 38.990000000000002 112.724 -179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -56.95 -37.03 70.98 Favored 'General case' 0 C--O 1.266 1.942 0 C-N-CA 119.44 -0.904 . . . . 36.409999999999997 112.36 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 77.7 p -110.37 11.56 23.28 Favored 'General case' 0 C--O 1.25 1.081 0 CA-C-O 117.923 -1.037 . . . . 30.449999999999999 112.416 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt 45.81 50.84 10.84 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 124.641 1.213 . . . . 32.939999999999998 109.712 177.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.3 m -127.67 119.44 25.86 Favored 'General case' 0 C--O 1.25 1.086 0 CA-C-N 115.771 -0.65 . . . . 26.550000000000001 110.739 -171.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -94.24 139.74 30.66 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 108.188 -1.041 . . . . 22.920000000000002 108.188 169.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.6 m -121.08 138.34 54.23 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 107.911 -1.144 . . . . 33.100000000000001 107.911 172.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 9.6 p -121.18 119.4 59.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.733 -1.21 . . . . 29.850000000000001 107.733 169.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.9 m -121.01 125.67 47.94 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 124.114 0.966 . . . . 43.859999999999999 109.829 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 107.186 -1.413 . . . . 58.009999999999998 107.186 178.164 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ' CL' . . . . . 0.996 'CL ' ' CE1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.436 ' O ' ' ND1' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.466 ' O ' ' ND2' ' A' ' 8' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . 0.705 ' O ' ' CE1' ' A' ' 12' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . 0.495 ' O ' ' HG2' ' A' ' 32' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . 0.685 ' O ' HG22 ' A' ' 11' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_