data_1pga_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 1pga _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' ' ' MET . . . . . . . . . . . . . 29.2 mtt . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.74 -0.467 . . . . 18.67 109.74 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.7 m -100.96 123.51 45.26 Favored 'General case' 0 C--O 1.245 0.843 0 O-C-N 124.302 1.001 . . . . 14.02 109.637 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 53.8 m-85 -112.6 155.08 25.01 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 123.977 0.798 . . . . 12.25 111.372 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -118.38 148.49 42.47 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.451 -1.249 . . . . 33.4 111.214 -179.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.9 tp -126.94 124.48 39.6 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 105.967 -1.864 . . . . 8.27 105.967 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.63 116.94 49.38 Favored 'Isoleucine or valine' 0 C--O 1.267 2.008 0 N-CA-C 105.51 -2.033 . . . . 10.87 105.51 174.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp -100.83 117.07 34.18 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 114.484 -1.235 . . . . 7.38 110.728 -178.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 36.9 t30 -117.6 69.54 0.77 Allowed 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 106.173 -1.788 . . . . 19.85 106.173 176.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.83 -176.6 42.6 Favored Glycine 0 C--O 1.265 2.07 0 C-N-CA 117.073 -2.489 . . . . 8.02 108.339 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -77.35 -35.49 54.56 Favored 'General case' 0 N--CA 1.428 -1.544 0 C-N-CA 120.894 -0.323 . . . . 27.49 110.588 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.7 m -103.21 -40.52 6.4 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 114.673 1.361 . . . . 12.32 114.673 -178.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.11 128.61 56.26 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 122.737 1.256 . . . . 10.48 112.215 -176.045 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -137.66 138.07 39.07 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 107.485 -1.302 . . . . 9.99 107.485 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.94 -160.88 34.49 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 116.478 -2.772 . . . . 13.82 112.899 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -146.3 134.77 22.0 Favored 'General case' 0 N--CA 1.432 -1.357 0 O-C-N 124.544 0.79 . . . . 24.56 108.948 -179.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 p -139.98 172.69 12.4 Favored 'General case' 0 CA--C 1.487 -1.48 0 N-CA-C 105.285 -2.117 . . . . 20.68 105.285 174.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.3 p -134.41 164.63 26.99 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.416 1.086 . . . . 15.23 110.376 179.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -147.11 162.53 38.65 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 106.991 -1.485 . . . . 16.1 106.991 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -110.11 130.44 55.54 Favored 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 103.248 -2.871 . . . . 35.81 103.248 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.07 154.82 31.58 Favored 'General case' 0 C--O 1.202 -1.425 0 O-C-N 120.714 -1.241 . . . . 11.79 109.959 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -38.56 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 114.953 1.464 . . . . 15.0 114.953 178.599 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -152.92 174.05 14.61 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.731 -1.211 . . . . 16.47 107.731 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.14 79.49 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.322 1.231 . . . . 8.81 114.322 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . 0.426 ' O ' ' NZ ' ' A' ' 28' ' ' LYS . . . -63.45 -33.38 75.44 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.715 -0.616 . . . . 8.27 110.746 -179.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.7 m -79.21 -41.42 28.36 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 118.236 -0.887 . . . . 15.99 108.702 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.56 84.14 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.092 0.86 . . . . 10.49 109.432 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.93 -38.27 81.88 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 121.849 0.833 . . . . 25.94 112.5 177.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' NZ ' ' O ' ' A' ' 24' ' ' ALA . 0.0 OUTLIER -69.1 -43.9 73.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 18.63 111.842 178.374 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.8 -49.15 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.163 0 CA-C-N 114.808 -1.087 . . . . 8.13 109.817 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -63.92 -41.79 97.56 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 114.792 1.404 . . . . 7.49 114.792 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -62.57 -44.44 96.32 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 106.918 -1.512 . . . . 20.79 106.918 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.27 -42.68 99.15 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 118.817 -1.153 . . . . 15.61 109.821 178.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -54.61 -51.59 64.88 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 122.38 1.085 . . . . 9.67 109.616 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.15 82.4 Favored 'General case' 0 C--O 1.2 -1.541 0 O-C-N 121.63 -0.669 . . . . 10.19 110.283 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.04 -45.88 91.35 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.651 -0.704 . . . . 26.74 112.234 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.28 -20.53 66.46 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-N 115.051 -0.977 . . . . 19.45 112.836 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -102.21 15.11 30.09 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.577 1.695 . . . . 10.48 115.577 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.06 13.03 84.09 Favored Glycine 0 C--O 1.209 -1.447 0 N-CA-C 117.911 1.924 . . . . 10.47 117.911 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.1 t -91.14 139.59 17.43 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 C-N-CA 124.33 1.052 . . . . 13.46 108.858 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -151.4 90.41 1.58 Allowed 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 114.194 -1.367 . . . . 27.0 107.318 -178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.65 -159.76 8.31 Favored Glycine 0 C--O 1.245 0.797 0 C-N-CA 119.243 -1.456 . . . . 15.38 115.549 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -93.68 141.42 28.51 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 106.734 -1.58 . . . . 32.35 106.734 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -115.24 155.34 27.41 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 125.571 1.794 . . . . 10.4 113.15 -177.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.0 p -147.44 155.74 42.22 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 101.394 -3.558 . . . . 8.74 101.394 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -137.28 130.66 31.16 Favored 'General case' 0 C--O 1.208 -1.083 0 N-CA-C 105.558 -2.015 . . . . 8.16 105.558 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -122.08 102.88 8.42 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 122.643 1.211 . . . . 9.02 108.696 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.7 -32.96 73.2 Favored 'General case' 0 N--CA 1.412 -2.354 0 CA-C-N 112.385 -2.189 . . . . 14.99 112.806 -177.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.51 62.31 Favored 'General case' 0 C--O 1.202 -1.418 0 O-C-N 123.656 0.598 . . . . 11.11 112.257 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 p -127.28 3.12 6.36 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.356 -0.84 . . . . 9.51 109.267 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 58.31 35.5 24.92 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.3 0.64 . . . . 15.16 110.704 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.7 m -112.55 137.09 51.3 Favored 'General case' 0 C--O 1.208 -1.116 0 N-CA-C 117.86 2.541 . . . . 11.18 117.86 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -111.86 145.56 39.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 104.236 -2.505 . . . . 7.62 104.236 177.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -135.84 139.71 43.63 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 106.171 -1.788 . . . . 9.4 106.171 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.25 140.12 46.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 104.893 -2.262 . . . . 5.98 104.893 174.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -137.88 126.87 24.16 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 118.962 -1.095 . . . . 12.3 111.442 -175.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 . . . . . 0 C--O 1.248 1.013 0 CA-C-N 120.064 1.302 . . . . 18.6 110.204 178.198 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mtt . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.74 -0.467 . . . . 18.670000000000002 109.74 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.7 m -100.96 123.51 45.26 Favored 'General case' 0 C--O 1.245 0.843 0 O-C-N 124.302 1.001 . . . . 14.02 109.637 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 17' ' ' THR . 53.8 m-85 -112.6 155.08 25.01 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 123.977 0.798 . . . . 12.25 111.372 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HD2' ' CG ' ' A' ' 15' ' ' GLU . 24.8 ttpt -118.38 148.49 42.47 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.451 -1.249 . . . . 33.399999999999999 111.214 -179.041 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.9 tp -126.94 124.48 39.6 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 105.967 -1.864 . . . . 8.2699999999999996 105.967 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.63 116.94 49.38 Favored 'Isoleucine or valine' 0 C--O 1.267 2.008 0 N-CA-C 105.51 -2.033 . . . . 10.869999999999999 105.51 174.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp -100.83 117.07 34.18 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 114.484 -1.235 . . . . 7.3799999999999999 110.728 -178.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -117.6 69.54 0.77 Allowed 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 106.173 -1.788 . . . . 19.850000000000001 106.173 176.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.83 -176.6 42.6 Favored Glycine 0 C--O 1.265 2.07 0 C-N-CA 117.073 -2.489 . . . . 8.0199999999999996 108.339 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -77.35 -35.49 54.56 Favored 'General case' 0 N--CA 1.428 -1.544 0 C-N-CA 120.894 -0.323 . . . . 27.489999999999998 110.588 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.7 m -103.21 -40.52 6.4 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 114.673 1.361 . . . . 12.32 114.673 -178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.11 128.61 56.26 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 122.737 1.256 . . . . 10.48 112.215 -176.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -137.66 138.07 39.07 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 107.485 -1.302 . . . . 9.9900000000000002 107.485 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.94 -160.88 34.49 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 116.478 -2.772 . . . . 13.82 112.899 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' CG ' ' HD2' ' A' ' 4' ' ' LYS . 19.9 tt0 -146.3 134.77 22.0 Favored 'General case' 0 N--CA 1.432 -1.357 0 O-C-N 124.544 0.79 . . . . 24.559999999999999 108.948 -179.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 p -139.98 172.69 12.4 Favored 'General case' 0 CA--C 1.487 -1.48 0 N-CA-C 105.285 -2.117 . . . . 20.68 105.285 174.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 31.3 p -134.41 164.63 26.99 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.416 1.086 . . . . 15.23 110.376 179.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -147.11 162.53 38.65 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 106.991 -1.485 . . . . 16.100000000000001 106.991 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -110.11 130.44 55.54 Favored 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 103.248 -2.871 . . . . 35.810000000000002 103.248 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.07 154.82 31.58 Favored 'General case' 0 C--O 1.202 -1.425 0 O-C-N 120.714 -1.241 . . . . 11.789999999999999 109.959 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -38.56 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 114.953 1.464 . . . . 15.0 114.953 178.599 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -152.92 174.05 14.61 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.731 -1.211 . . . . 16.469999999999999 107.731 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.14 79.49 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.322 1.231 . . . . 8.8100000000000005 114.322 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.38 75.44 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.715 -0.616 . . . . 8.2699999999999996 110.746 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.7 m -79.21 -41.42 28.36 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 118.236 -0.887 . . . . 15.99 108.702 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.56 84.14 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.092 0.86 . . . . 10.49 109.432 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.93 -38.27 81.88 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 121.849 0.833 . . . . 25.940000000000001 112.5 177.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -69.1 -43.9 73.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 18.629999999999999 111.842 178.374 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.8 -49.15 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.163 0 CA-C-N 114.808 -1.087 . . . . 8.1300000000000008 109.817 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -63.92 -41.79 97.56 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 114.792 1.404 . . . . 7.4900000000000002 114.792 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -62.57 -44.44 96.32 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 106.918 -1.512 . . . . 20.789999999999999 106.918 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.27 -42.68 99.15 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 118.817 -1.153 . . . . 15.609999999999999 109.821 178.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -54.61 -51.59 64.88 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 122.38 1.085 . . . . 9.6699999999999999 109.616 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.15 82.4 Favored 'General case' 0 C--O 1.2 -1.541 0 O-C-N 121.63 -0.669 . . . . 10.19 110.283 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.04 -45.88 91.35 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.651 -0.704 . . . . 26.739999999999998 112.234 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.28 -20.53 66.46 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-N 115.051 -0.977 . . . . 19.449999999999999 112.836 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -102.21 15.11 30.09 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.577 1.695 . . . . 10.48 115.577 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.06 13.03 84.09 Favored Glycine 0 C--O 1.209 -1.447 0 N-CA-C 117.911 1.924 . . . . 10.470000000000001 117.911 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.1 t -91.14 139.59 17.43 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 C-N-CA 124.33 1.052 . . . . 13.460000000000001 108.858 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -151.4 90.41 1.58 Allowed 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 114.194 -1.367 . . . . 27.0 107.318 -178.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.65 -159.76 8.31 Favored Glycine 0 C--O 1.245 0.797 0 C-N-CA 119.243 -1.456 . . . . 15.380000000000001 115.549 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -93.68 141.42 28.51 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 106.734 -1.58 . . . . 32.350000000000001 106.734 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -115.24 155.34 27.41 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 125.571 1.794 . . . . 10.4 113.15 -177.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.0 p -147.44 155.74 42.22 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 101.394 -3.558 . . . . 8.7400000000000002 101.394 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -137.28 130.66 31.16 Favored 'General case' 0 C--O 1.208 -1.083 0 N-CA-C 105.558 -2.015 . . . . 8.1600000000000001 105.558 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -122.08 102.88 8.42 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 122.643 1.211 . . . . 9.0199999999999996 108.696 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.7 -32.96 73.2 Favored 'General case' 0 N--CA 1.412 -2.354 0 CA-C-N 112.385 -2.189 . . . . 14.99 112.806 -177.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.51 62.31 Favored 'General case' 0 C--O 1.202 -1.418 0 O-C-N 123.656 0.598 . . . . 11.109999999999999 112.257 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 p -127.28 3.12 6.36 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.356 -0.84 . . . . 9.5099999999999998 109.267 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 58.31 35.5 24.92 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.3 0.64 . . . . 15.16 110.704 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.7 m -112.55 137.09 51.3 Favored 'General case' 0 C--O 1.208 -1.116 0 N-CA-C 117.86 2.541 . . . . 11.18 117.86 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -111.86 145.56 39.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 104.236 -2.505 . . . . 7.6200000000000001 104.236 177.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -135.84 139.71 43.63 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 106.171 -1.788 . . . . 9.4000000000000004 106.171 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.25 140.12 46.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 104.893 -2.262 . . . . 5.9800000000000004 104.893 174.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -137.88 126.87 24.16 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 118.962 -1.095 . . . . 12.300000000000001 111.442 -175.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 . . . . . 0 C--O 1.248 1.013 0 CA-C-N 120.064 1.302 . . . . 18.600000000000001 110.204 178.198 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.2 mtt . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.74 -0.467 . . . . 18.670000000000002 109.74 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 85.7 m -100.96 123.51 45.26 Favored 'General case' 0 C--O 1.245 0.843 0 O-C-N 124.302 1.001 . . . . 14.02 109.637 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 17' ' ' THR . 53.8 m-85 -112.6 155.08 25.01 Favored 'General case' 0 N--CA 1.439 -0.998 0 O-C-N 123.977 0.798 . . . . 12.25 111.372 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' HD2' ' CG ' ' A' ' 15' ' ' GLU . 24.8 ttpt -118.38 148.49 42.47 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-N 114.451 -1.249 . . . . 33.399999999999999 111.214 -179.041 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 50.9 tp -126.94 124.48 39.6 Favored 'General case' 0 N--CA 1.435 -1.217 0 N-CA-C 105.967 -1.864 . . . . 8.2699999999999996 105.967 178.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 60.1 mt -104.63 116.94 49.38 Favored 'Isoleucine or valine' 0 C--O 1.267 2.008 0 N-CA-C 105.51 -2.033 . . . . 10.869999999999999 105.51 174.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.5 mp -100.83 117.07 34.18 Favored 'General case' 0 CA--C 1.506 -0.715 0 CA-C-N 114.484 -1.235 . . . . 7.3799999999999999 110.728 -178.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.645 HD22 HG23 ' A' ' 55' ' ' THR . 36.9 t30 -117.6 69.54 0.77 Allowed 'General case' 0 C--O 1.219 -0.53 0 N-CA-C 106.173 -1.788 . . . . 19.850000000000001 106.173 176.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -91.83 -176.6 42.6 Favored Glycine 0 C--O 1.265 2.07 0 C-N-CA 117.073 -2.489 . . . . 8.0199999999999996 108.339 179.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 37.0 mtpt -77.35 -35.49 54.56 Favored 'General case' 0 N--CA 1.428 -1.544 0 C-N-CA 120.894 -0.323 . . . . 27.489999999999998 110.588 179.468 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.7 m -103.21 -40.52 6.4 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 114.673 1.361 . . . . 12.32 114.673 -178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.11 128.61 56.26 Favored 'General case' 0 C--O 1.247 0.932 0 CA-C-O 122.737 1.256 . . . . 10.48 112.215 -176.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -137.66 138.07 39.07 Favored 'General case' 0 N--CA 1.432 -1.362 0 N-CA-C 107.485 -1.302 . . . . 9.9900000000000002 107.485 -179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 168.94 -160.88 34.49 Favored Glycine 0 N--CA 1.434 -1.48 0 C-N-CA 116.478 -2.772 . . . . 13.82 112.899 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.426 ' CG ' ' HD2' ' A' ' 4' ' ' LYS . 19.9 tt0 -146.3 134.77 22.0 Favored 'General case' 0 N--CA 1.432 -1.357 0 O-C-N 124.544 0.79 . . . . 24.559999999999999 108.948 -179.102 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.5 p -139.98 172.69 12.4 Favored 'General case' 0 CA--C 1.487 -1.48 0 N-CA-C 105.285 -2.117 . . . . 20.68 105.285 174.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 3' ' ' TYR . 31.3 p -134.41 164.63 26.99 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.416 1.086 . . . . 15.23 110.376 179.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 t -147.11 162.53 38.65 Favored 'General case' 0 C--O 1.211 -0.965 0 N-CA-C 106.991 -1.485 . . . . 16.100000000000001 106.991 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -110.11 130.44 55.54 Favored 'General case' 0 C--O 1.206 -1.186 0 N-CA-C 103.248 -2.871 . . . . 35.810000000000002 103.248 178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -156.07 154.82 31.58 Favored 'General case' 0 C--O 1.202 -1.425 0 O-C-N 120.714 -1.241 . . . . 11.789999999999999 109.959 179.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -38.56 79.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 N-CA-C 114.953 1.464 . . . . 15.0 114.953 178.599 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 55.7 p30 -152.92 174.05 14.61 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 107.731 -1.211 . . . . 16.469999999999999 107.731 178.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.54 -35.14 79.49 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 114.322 1.231 . . . . 8.8100000000000005 114.322 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.45 -33.38 75.44 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 121.715 -0.616 . . . . 8.2699999999999996 110.746 -179.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 65.7 m -79.21 -41.42 28.36 Favored 'General case' 0 N--CA 1.431 -1.412 0 CA-C-O 118.236 -0.887 . . . . 15.99 108.702 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.47 -36.56 84.14 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 119.092 0.86 . . . . 10.49 109.432 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -59.93 -38.27 81.88 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-O 121.849 0.833 . . . . 25.940000000000001 112.5 177.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.526 ' N ' ' HE3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -69.1 -43.9 73.57 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.193 -0.942 . . . . 18.629999999999999 111.842 178.374 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.3 t -62.8 -49.15 84.84 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.163 0 CA-C-N 114.808 -1.087 . . . . 8.1300000000000008 109.817 -179.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -63.92 -41.79 97.56 Favored 'General case' 0 C--O 1.216 -0.707 0 N-CA-C 114.792 1.404 . . . . 7.4900000000000002 114.792 179.119 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 mmtm -62.57 -44.44 96.32 Favored 'General case' 0 C--O 1.198 -1.636 0 N-CA-C 106.918 -1.512 . . . . 20.789999999999999 106.918 179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 58.1 tt0 -63.27 -42.68 99.15 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 118.817 -1.153 . . . . 15.609999999999999 109.821 178.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -54.61 -51.59 64.88 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-O 122.38 1.085 . . . . 9.6699999999999999 109.616 177.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.15 82.4 Favored 'General case' 0 C--O 1.2 -1.541 0 O-C-N 121.63 -0.669 . . . . 10.19 110.283 178.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -60.04 -45.88 91.35 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 115.651 -0.704 . . . . 26.739999999999998 112.234 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -65.28 -20.53 66.46 Favored 'General case' 0 C--O 1.209 -1.067 0 CA-C-N 115.051 -0.977 . . . . 19.449999999999999 112.836 179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -102.21 15.11 30.09 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 115.577 1.695 . . . . 10.48 115.577 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.06 13.03 84.09 Favored Glycine 0 C--O 1.209 -1.447 0 N-CA-C 117.911 1.924 . . . . 10.470000000000001 117.911 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.1 t -91.14 139.59 17.43 Favored 'Isoleucine or valine' 0 C--O 1.249 1.061 0 C-N-CA 124.33 1.052 . . . . 13.460000000000001 108.858 -178.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -151.4 90.41 1.58 Allowed 'General case' 0 N--CA 1.434 -1.247 0 CA-C-N 114.194 -1.367 . . . . 27.0 107.318 -178.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.65 -159.76 8.31 Favored Glycine 0 C--O 1.245 0.797 0 C-N-CA 119.243 -1.456 . . . . 15.380000000000001 115.549 179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -93.68 141.42 28.51 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 106.734 -1.58 . . . . 32.350000000000001 106.734 176.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 59.8 m95 -115.24 155.34 27.41 Favored 'General case' 0 C--O 1.224 -0.277 0 O-C-N 125.571 1.794 . . . . 10.4 113.15 -177.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 39.0 p -147.44 155.74 42.22 Favored 'General case' 0 N--CA 1.43 -1.45 0 N-CA-C 101.394 -3.558 . . . . 8.7400000000000002 101.394 176.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -137.28 130.66 31.16 Favored 'General case' 0 C--O 1.208 -1.083 0 N-CA-C 105.558 -2.015 . . . . 8.1600000000000001 105.558 176.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -122.08 102.88 8.42 Favored 'General case' 0 C--O 1.252 1.224 0 CA-C-O 122.643 1.211 . . . . 9.0199999999999996 108.696 179.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -61.7 -32.96 73.2 Favored 'General case' 0 N--CA 1.412 -2.354 0 CA-C-N 112.385 -2.189 . . . . 14.99 112.806 -177.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.19 -23.51 62.31 Favored 'General case' 0 C--O 1.202 -1.418 0 O-C-N 123.656 0.598 . . . . 11.109999999999999 112.257 178.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.2 p -127.28 3.12 6.36 Favored 'General case' 0 C--O 1.212 -0.892 0 O-C-N 121.356 -0.84 . . . . 9.5099999999999998 109.267 178.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt 58.31 35.5 24.92 Favored 'General case' 0 N--CA 1.449 -0.511 0 C-N-CA 123.3 0.64 . . . . 15.16 110.704 -179.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 57.7 m -112.55 137.09 51.3 Favored 'General case' 0 C--O 1.208 -1.116 0 N-CA-C 117.86 2.541 . . . . 11.18 117.86 -178.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 52.1 m-85 -111.86 145.56 39.25 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 104.236 -2.505 . . . . 7.6200000000000001 104.236 177.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 15.1 p -135.84 139.71 43.63 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 106.171 -1.788 . . . . 9.4000000000000004 106.171 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.25 140.12 46.33 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 N-CA-C 104.893 -2.262 . . . . 5.9800000000000004 104.893 174.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . 0.645 HG23 HD22 ' A' ' 8' ' ' ASN . 98.4 m -137.88 126.87 24.16 Favored 'General case' 0 C--O 1.199 -1.598 0 C-N-CA 118.962 -1.095 . . . . 12.300000000000001 111.442 -175.753 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 . . . . . 0 C--O 1.248 1.013 0 CA-C-N 120.064 1.302 . . . . 18.600000000000001 110.204 178.198 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_