data_3qmd_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 3qmd _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 ' 169' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 120.858 0.361 . . . . 57.52 111.065 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.41 -35.58 70.22 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.5 -0.773 . . . . 52.54 112.053 169.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -106.69 6.68 29.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 115.453 1.649 . . . . 50.87 115.453 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 172' ' ' MET . . . . . . . . . . . . . 84.6 mtp -129.83 120.92 25.77 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.464 0.912 . . . . 47.96 113.464 178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 173' ' ' CYS . . . . . . . . . . . . . 4.1 p -76.76 -21.65 54.91 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.369 -0.604 . . . . 49.86 109.369 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 70.9 8.22 63.68 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.504 1.049 . . . . 51.06 114.235 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -133.78 -2.6 2.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 115.821 1.786 . . . . 72.31 115.821 -170.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 22.9 p -97.7 176.37 5.85 Favored 'General case' 0 C--O 1.258 1.539 0 C-N-CA 119.642 -0.823 . . . . 47.04 109.301 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 177' ' ' GLU . . . . . . . . . . . . . . . -54.63 -47.78 73.06 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 123.492 0.495 . . . . 44.27 112.319 176.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.73 88.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.268 -0.878 . . . . 39.51 111.364 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 24.0 m -63.29 -35.14 79.39 Favored 'General case' 0 C--O 1.247 0.957 0 N-CA-C 114.704 1.372 . . . . 39.4 114.704 178.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -79.34 -16.03 56.96 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.264 0.839 . . . . 64.01 113.264 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 181' ' ' ARG . . . . . . . . . . . . . 22.9 mtp85 -68.88 132.01 46.04 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 122.863 0.465 . . . . 39.86 110.836 -179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 33.4 p -107.15 -12.8 15.31 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.753 1.39 . . . . 46.08 114.753 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -111.29 122.05 46.85 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 110.316 -0.253 . . . . 46.92 110.316 -172.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -65.47 141.4 58.51 Favored 'General case' 0 C--O 1.272 2.246 0 N-CA-C 108.496 -0.927 . . . . 38.84 108.496 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 2.4 p -68.25 -26.57 65.75 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 115.848 -0.615 . . . . 39.84 112.57 -177.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 78.54 -2.35 67.84 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-O 119.686 -0.508 . . . . 46.87 114.259 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -121.06 -19.07 7.3 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 117.307 2.336 . . . . 57.82 117.307 -171.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 188' ' ' CYS . . . . . . . . . . . . . 29.8 p -80.0 173.57 12.46 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.094 0.474 . . . . 45.05 111.375 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -60.46 -42.87 97.06 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.898 -0.592 . . . . 55.03 112.087 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.1 -40.76 96.92 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.23 0.456 . . . . 40.87 112.23 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' CYS . . . . . . . . . . . . . 21.7 m -67.12 -45.15 78.0 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.871 0.367 . . . . 39.25 111.67 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -63.21 -24.3 67.82 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.324 -0.398 . . . . 76.46 111.676 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.44 -24.3 62.0 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.146 0.795 . . . . 49.04 113.146 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 64.2 mtt -71.15 142.38 50.72 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 113.41 0.893 . . . . 43.49 113.41 -172.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . . . -50.84 -43.86 59.25 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.487 1.117 . . . . 50.99 111.003 173.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -66.97 -12.33 59.42 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.058 1.133 . . . . 53.83 114.058 -176.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -113.55 18.66 17.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.754 0.65 . . . . 52.74 112.754 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 83.32 11.83 79.81 Favored Glycine 0 C--O 1.235 0.158 0 N-CA-C 115.206 0.842 . . . . 58.5 115.206 174.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -89.64 170.77 37.15 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 116.939 0.369 . . . . 53.39 113.522 -174.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -86.68 1.48 7.52 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 121.346 1.364 . . . . 58.39 113.854 -174.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . 59.0 t30 52.63 45.02 29.44 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 121.363 0.602 . . . . 51.32 112.422 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . -98.52 -17.85 18.49 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.76 0.652 . . . . 55.54 112.76 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 20.3 mt -100.11 -46.46 11.89 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 122.878 0.471 . . . . 55.13 111.954 -175.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' ARG . . . . . 0.583 ' NH1' ' N7 ' ' B' ' 7' ' ' ' DG' . 8.3 mtm-85 60.91 51.03 4.83 Favored 'General case' 0 C--O 1.252 1.229 0 N-CA-C 115.648 1.721 . . . . 59.47 115.648 169.219 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -124.74 156.89 36.94 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.014 -0.539 . . . . 33.59 110.151 171.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -61.26 153.92 25.01 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 116.032 -0.531 . . . . 35.54 112.098 175.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' CYS . . . . . . . . . . . . . 41.7 t -40.78 134.0 1.96 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.072 0.858 . . . . 31.96 112.5 169.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -48.61 -39.5 24.18 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.028 0.531 . . . . 51.97 111.966 175.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.19 -18.52 62.48 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.345 1.239 . . . . 39.91 114.345 -179.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -102.44 8.13 40.16 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.13 0.789 . . . . 51.79 113.13 178.994 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -76.67 117.46 18.32 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.244 -0.65 . . . . 34.81 109.244 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' CYS . . . . . . . . . . . . . 41.8 t -50.27 124.7 10.89 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 119.838 -0.745 . . . . 40.04 111.29 -175.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -63.97 -27.79 69.37 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.793 1.035 . . . . 60.86 113.793 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.64 -50.5 6.75 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.094 1.146 . . . . 59.48 114.094 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -105.3 -16.5 14.74 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 118.307 2.706 . . . . 68.28 118.307 -164.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -65.73 148.41 51.81 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 111.559 0.207 . . . . 46.09 111.559 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -51.05 130.6 26.15 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.578 -0.897 . . . . 49.08 108.578 170.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . . . -53.85 -35.73 61.83 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.507 -0.315 . . . . 57.99 111.845 -171.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 82.8 p -69.88 -8.48 48.95 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.28 1.585 . . . . 56.23 115.28 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -91.99 -20.72 21.06 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 115.024 1.49 . . . . 50.51 115.024 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 74.1 mttt . . . . . 0 C--O 1.25 1.085 0 N-CA-C 114.133 1.161 . . . . 57.76 114.133 -176.915 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.081 0 O4'-C4'-C3' 103.717 -1.883 . . . . 92.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 1 P-O3'-C3' 125.773 5.061 . . . . 93.87 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.04 0 C3'-C2'-C1' 97.477 -3.73 . . . . 91.15 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.232 1 O4'-C1'-N19 104.211 -4.486 . . . . 87.83 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.291 0 P-O3'-C3' 123.705 3.337 . . . . 86.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ' DC' . . . . . 0.406 " C2'" ' NH1' ' A' ' 204' ' ' ARG . . . . . . . . 0 O3'--C3' 1.409 -1.659 0 P-O3'-C3' 123.228 2.94 . . . . 74.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.583 ' N7 ' ' NH1' ' A' ' 204' ' ' ARG . . . . . . . . 0 C3'--C2' 1.541 2.281 0 P-O3'-C3' 123.139 2.866 . . . . 72.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.547 2.861 1 O4'-C1'-N19 102.552 -6.56 . . . . 63.15 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.715 0 O4'-C1'-N19 110.634 3.543 . . . . 61.48 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 1 O4'-C1'-N19 102.634 -6.457 . . . . 67.43 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.506 0 P-O3'-C3' 123.875 3.479 . . . . 76.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.403 -1.31 0 P-O3'-C3' 123.551 3.209 . . . . 78.1 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.41 -1.878 0 C4'-C3'-O3' 105.326 -2.261 . . . . 96.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.406 -1.943 0 P-O3'-C3' 124.358 3.882 . . . . 102.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.41 -1.597 2 O4'-C1'-N19 104.05 -4.688 . . . . 101.7 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.61 1.713 1 O4'-C1'-N19 102.904 -6.12 . . . . 94.03 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.467 2.765 2 C3'-C2'-C1' 96.644 -4.326 . . . . 72.66 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.167 2 OP1-P-OP2 111.443 -5.438 . . . . 57.62 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.392 -3.027 0 P-O3'-C3' 124.399 3.915 . . . . 62.99 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.542 2.421 1 O4'-C1'-N19 104.068 -4.664 . . . . 72.69 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.594 -1.113 0 C3'-C2'-C1' 97.968 -3.38 . . . . 87.61 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.4 -2.381 0 C3'-C2'-C1' 98.793 -2.791 . . . . 104.72 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.471 0 C3'-C2'-C1' 98.813 -2.777 . . . . 120.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.587 -1.669 0 O4'-C1'-N19 110.511 3.388 . . . . 133.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' SER . . . . . 0.478 ' HB3' ' HB2' ' A' ' 172' ' ' MET . 5.5 t . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 120.858 0.361 . . . . 57.520000000000003 111.065 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.41 -35.58 70.22 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.5 -0.773 . . . . 52.539999999999999 112.053 169.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -106.69 6.68 29.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 115.453 1.649 . . . . 50.869999999999997 115.453 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 172' ' ' MET . . . . . 0.478 ' HB2' ' HB3' ' A' ' 169' ' ' SER . 84.6 mtp -129.83 120.92 25.77 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.464 0.912 . . . . 47.960000000000001 113.464 178.337 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 173' ' ' CYS . . . . . . . . . . . . . 4.1 p -76.76 -21.65 54.91 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.369 -0.604 . . . . 49.859999999999999 109.369 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 70.9 8.22 63.68 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.504 1.049 . . . . 51.060000000000002 114.235 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -133.78 -2.6 2.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 115.821 1.786 . . . . 72.310000000000002 115.821 -170.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 22.9 p -97.7 176.37 5.85 Favored 'General case' 0 C--O 1.258 1.539 0 C-N-CA 119.642 -0.823 . . . . 47.039999999999999 109.301 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 177' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' A' ' 181' ' ' ARG . . . -54.63 -47.78 73.06 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 123.492 0.495 . . . . 44.270000000000003 112.319 176.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.73 88.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.268 -0.878 . . . . 39.509999999999998 111.364 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 24.0 m -63.29 -35.14 79.39 Favored 'General case' 0 C--O 1.247 0.957 0 N-CA-C 114.704 1.372 . . . . 39.399999999999999 114.704 178.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -79.34 -16.03 56.96 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.264 0.839 . . . . 64.010000000000005 113.264 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 181' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 177' ' ' GLU . 22.9 mtp85 -68.88 132.01 46.04 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 122.863 0.465 . . . . 44.899999999999999 110.836 -179.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 33.4 p -107.15 -12.8 15.31 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.753 1.39 . . . . 46.079999999999998 114.753 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -111.29 122.05 46.85 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 110.316 -0.253 . . . . 46.920000000000002 110.316 -172.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -65.47 141.4 58.51 Favored 'General case' 0 C--O 1.272 2.246 0 N-CA-C 108.496 -0.927 . . . . 38.840000000000003 108.496 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 2.4 p -68.25 -26.57 65.75 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 115.848 -0.615 . . . . 39.840000000000003 112.57 -177.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 78.54 -2.35 67.84 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-O 119.686 -0.508 . . . . 46.869999999999997 114.259 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -121.06 -19.07 7.3 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 117.307 2.336 . . . . 57.82 117.307 -171.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 188' ' ' CYS . . . . . . . . . . . . . 29.8 p -80.0 173.57 12.46 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.094 0.474 . . . . 45.049999999999997 111.375 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -60.46 -42.87 97.06 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.898 -0.592 . . . . 55.030000000000001 112.087 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.1 -40.76 96.92 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.23 0.456 . . . . 40.869999999999997 112.23 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 191' ' ' CYS . . . . . . . . . . . . . 21.7 m -67.12 -45.15 78.0 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.871 0.367 . . . . 39.25 111.67 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -63.21 -24.3 67.82 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.324 -0.398 . . . . 76.459999999999994 111.676 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.44 -24.3 62.0 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.146 0.795 . . . . 49.039999999999999 113.146 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 64.2 mtt -71.15 142.38 50.72 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 113.41 0.893 . . . . 43.490000000000002 113.41 -172.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . . . -50.84 -43.86 59.25 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.487 1.117 . . . . 50.990000000000002 111.003 173.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -66.97 -12.33 59.42 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.058 1.133 . . . . 53.829999999999998 114.058 -176.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 197' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -113.55 18.66 17.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.754 0.65 . . . . 52.740000000000002 112.754 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 83.32 11.83 79.81 Favored Glycine 0 C--O 1.235 0.158 0 N-CA-C 115.206 0.842 . . . . 58.5 115.206 174.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -89.64 170.77 37.15 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 116.939 0.369 . . . . 53.390000000000001 113.522 -174.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -86.68 1.48 7.52 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 121.346 1.364 . . . . 58.390000000000001 113.854 -174.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . 59.0 t30 52.63 45.02 29.44 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 121.363 0.602 . . . . 51.32 112.422 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . -98.52 -17.85 18.49 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.76 0.652 . . . . 55.539999999999999 112.76 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 20.3 mt -100.11 -46.46 11.89 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 122.878 0.471 . . . . 55.130000000000003 111.954 -175.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' ARG . . . . . 0.581 ' NH1' ' N7 ' ' B' ' 7' ' ' ' DG' . 8.3 mtm-85 60.91 51.03 4.83 Favored 'General case' 0 C--O 1.252 1.229 0 N-CA-C 115.648 1.721 . . . . 59.469999999999999 115.648 169.219 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -124.74 156.89 36.94 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.014 -0.539 . . . . 33.590000000000003 110.151 171.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 206' ' ' LYS . . . . . 0.417 ' HG3' " H3'" ' C' ' 5' ' ' ' DT' . 28.3 mtmt -61.26 153.92 25.01 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 116.032 -0.531 . . . . 35.539999999999999 112.098 175.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 207' ' ' CYS . . . . . . . . . . . . . 41.7 t -40.78 134.0 1.96 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.072 0.858 . . . . 31.960000000000001 112.5 169.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -48.61 -39.5 24.18 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.028 0.531 . . . . 51.969999999999999 111.966 175.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' LEU . . . . . 0.4 ' O ' ' HD2' ' A' ' 181' ' ' ARG . 12.4 mt -71.19 -18.52 62.48 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.345 1.239 . . . . 39.909999999999997 114.345 -179.883 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -102.44 8.13 40.16 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.13 0.789 . . . . 51.789999999999999 113.13 178.994 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 211' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -76.67 117.46 18.32 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.244 -0.65 . . . . 34.810000000000002 109.244 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 212' ' ' CYS . . . . . . . . . . . . . 41.8 t -50.27 124.7 10.89 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 119.838 -0.745 . . . . 40.039999999999999 111.29 -175.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -63.97 -27.79 69.37 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.793 1.035 . . . . 60.859999999999999 113.793 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.64 -50.5 6.75 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.094 1.146 . . . . 59.479999999999997 114.094 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -105.3 -16.5 14.74 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 118.307 2.706 . . . . 68.280000000000001 118.307 -164.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -65.73 148.41 51.81 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 111.559 0.207 . . . . 46.090000000000003 111.559 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 217' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -51.05 130.6 26.15 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.578 -0.897 . . . . 49.079999999999998 108.578 170.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . . . -53.85 -35.73 61.83 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.507 -0.315 . . . . 57.990000000000002 111.845 -171.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 82.8 p -69.88 -8.48 48.95 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.28 1.585 . . . . 56.229999999999997 115.28 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -91.99 -20.72 21.06 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 115.024 1.49 . . . . 50.509999999999998 115.024 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 74.1 mttt . . . . . 0 C--O 1.25 1.085 0 N-CA-C 114.133 1.161 . . . . 57.759999999999998 114.133 -176.915 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.081 0 O4'-C4'-C3' 103.717 -1.883 . . . . 92.959999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 1 P-O3'-C3' 125.773 5.061 . . . . 93.870000000000005 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.04 0 C3'-C2'-C1' 97.477 -3.73 . . . . 91.150000000000006 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.232 1 O4'-C1'-N19 104.211 -4.486 . . . . 87.829999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.291 0 P-O3'-C3' 123.705 3.337 . . . . 86.409999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ' DC' . . . . . 0.481 H2'' HH12 ' A' ' 204' ' ' ARG . . . . . . . . 0 O3'--C3' 1.409 -1.659 0 P-O3'-C3' 123.228 2.94 . . . . 74.670000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ' DG' . . . . . 0.581 ' N7 ' ' NH1' ' A' ' 204' ' ' ARG . . . . . . . . 0 C3'--C2' 1.541 2.281 0 P-O3'-C3' 123.139 2.866 . . . . 72.469999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.547 2.861 1 O4'-C1'-N19 102.552 -6.56 . . . . 63.149999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.715 0 O4'-C1'-N19 110.634 3.543 . . . . 61.479999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 1 O4'-C1'-N19 102.634 -6.457 . . . . 67.430000000000007 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.506 0 P-O3'-C3' 123.875 3.479 . . . . 76.129999999999995 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.403 -1.31 0 P-O3'-C3' 123.551 3.209 . . . . 78.099999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.41 -1.878 0 C4'-C3'-O3' 105.326 -2.261 . . . . 96.849999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.406 -1.943 0 P-O3'-C3' 124.358 3.882 . . . . 102.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ' DC' . . . . . 0.405 H2'' ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.41 -1.597 2 O4'-C1'-N19 104.05 -4.688 . . . . 101.7 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ' DA' . . . . . 0.405 ' C8 ' H2'' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 P--O5' 1.61 1.713 1 O4'-C1'-N19 102.904 -6.12 . . . . 94.030000000000001 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ' DT' . . . . . 0.417 " H3'" ' HG3' ' A' ' 206' ' ' LYS . . . . . . . . 0 O3'--C3' 1.467 2.765 2 C3'-C2'-C1' 96.644 -4.326 . . . . 72.659999999999997 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ' DC' . . . . . 0.66 " H2'" ' C8 ' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.167 2 OP1-P-OP2 111.443 -5.438 . . . . 57.619999999999997 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ' DG' . . . . . 0.66 ' C8 ' " H2'" ' C' ' 6' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.392 -3.027 0 P-O3'-C3' 124.399 3.915 . . . . 62.990000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.542 2.421 1 O4'-C1'-N19 104.068 -4.664 . . . . 72.689999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ' DT' . . . . . 0.51 H2'' ' C8 ' ' C' ' 10' ' ' ' DG' . . . . . . . . 0 P--O3' 1.594 -1.113 0 C3'-C2'-C1' 97.968 -3.38 . . . . 87.609999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ' DG' . . . . . 0.51 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.4 -2.381 0 C3'-C2'-C1' 98.793 -2.791 . . . . 104.72 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.471 0 C3'-C2'-C1' 98.813 -2.777 . . . . 120.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.587 -1.669 0 O4'-C1'-N19 110.511 3.388 . . . . 133.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' SER . . . . . 0.478 ' HB3' ' HB2' ' A' ' 172' ' ' MET . 5.5 t . . . . . 0 N--CA 1.498 1.972 0 CA-C-O 120.858 0.361 . . . . 57.52 111.065 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 170' ' ' ALA . . . . . . . . . . . . . . . -57.41 -35.58 70.22 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-N 115.5 -0.773 . . . . 52.54 112.053 169.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 171' ' ' ARG . . . . . . . . . . . . . 36.8 mmt180 -106.69 6.68 29.98 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 115.453 1.649 . . . . 50.87 115.453 -179.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 172' ' ' MET . . . . . 0.478 ' HB2' ' HB3' ' A' ' 169' ' ' SER . 84.6 mtp -129.83 120.92 25.77 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.464 0.912 . . . . 47.96 113.464 178.337 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 173' ' ' CYS . . . . . . . . . . . . . 4.1 p -76.76 -21.65 54.91 Favored 'General case' 0 C--O 1.241 0.629 0 N-CA-C 109.369 -0.604 . . . . 49.86 109.369 177.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' GLY . . . . . . . . . . . . . . . 70.9 8.22 63.68 Favored Glycine 0 CA--C 1.525 0.709 0 C-N-CA 124.504 1.049 . . . . 51.06 114.235 -179.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 175' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -133.78 -2.6 2.96 Favored 'General case' 0 CA--C 1.514 -0.416 0 N-CA-C 115.821 1.786 . . . . 72.31 115.821 -170.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 176' ' ' CYS . . . . . . . . . . . . . 22.9 p -97.7 176.37 5.85 Favored 'General case' 0 C--O 1.258 1.539 0 C-N-CA 119.642 -0.823 . . . . 47.04 109.301 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 177' ' ' GLU . . . . . 0.59 ' O ' ' HG3' ' A' ' 181' ' ' ARG . . . -54.63 -47.78 73.06 Favored 'General case' 0 C--O 1.258 1.535 0 O-C-N 123.492 0.495 . . . . 44.27 112.319 176.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 178' ' ' ALA . . . . . . . . . . . . . . . -59.79 -46.73 88.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.268 -0.878 . . . . 39.51 111.364 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 179' ' ' CYS . . . . . . . . . . . . . 24.0 m -63.29 -35.14 79.39 Favored 'General case' 0 C--O 1.247 0.957 0 N-CA-C 114.704 1.372 . . . . 39.4 114.704 178.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 180' ' ' ARG . . . . . . . . . . . . . 89.7 mtm-85 -79.34 -16.03 56.96 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 113.264 0.839 . . . . 64.01 113.264 -179.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 181' ' ' ARG . . . . . 0.59 ' HG3' ' O ' ' A' ' 177' ' ' GLU . 22.9 mtp85 -68.88 132.01 46.04 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 122.863 0.465 . . . . 44.9 110.836 -179.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 182' ' ' THR . . . . . . . . . . . . . 33.4 p -107.15 -12.8 15.31 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 114.753 1.39 . . . . 46.08 114.753 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 183' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -111.29 122.05 46.85 Favored 'General case' 0 C--O 1.248 0.991 0 N-CA-C 110.316 -0.253 . . . . 46.92 110.316 -172.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 184' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -65.47 141.4 58.51 Favored 'General case' 0 C--O 1.272 2.246 0 N-CA-C 108.496 -0.927 . . . . 38.84 108.496 174.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 185' ' ' CYS . . . . . . . . . . . . . 2.4 p -68.25 -26.57 65.75 Favored 'General case' 0 C--O 1.245 0.839 0 CA-C-N 115.848 -0.615 . . . . 39.84 112.57 -177.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 186' ' ' GLY . . . . . . . . . . . . . . . 78.54 -2.35 67.84 Favored Glycine 0 C--N 1.336 0.57 0 CA-C-O 119.686 -0.508 . . . . 46.87 114.259 177.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 187' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -121.06 -19.07 7.3 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 117.307 2.336 . . . . 57.82 117.307 -171.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 188' ' ' CYS . . . . . . . . . . . . . 29.8 p -80.0 173.57 12.46 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 121.094 0.474 . . . . 45.05 111.375 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -60.46 -42.87 97.06 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 115.898 -0.592 . . . . 55.03 112.087 -179.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 190' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -64.1 -40.76 96.92 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.23 0.456 . . . . 40.87 112.23 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' CYS . . . . . . . . . . . . . 21.7 m -67.12 -45.15 78.0 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 120.871 0.367 . . . . 39.25 111.67 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 -63.21 -24.3 67.82 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.324 -0.398 . . . . 76.46 111.676 -178.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 193' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -71.44 -24.3 62.0 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.146 0.795 . . . . 49.04 113.146 173.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 194' ' ' MET . . . . . . . . . . . . . 64.2 mtt -71.15 142.38 50.72 Favored 'General case' 0 C--O 1.243 0.713 0 N-CA-C 113.41 0.893 . . . . 43.49 113.41 -172.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 195' ' ' LYS . . . . . . . . . . . . . . . -50.84 -43.86 59.25 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 124.487 1.117 . . . . 50.99 111.003 173.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' LYS . . . . . . . . . . . . . 12.6 pttt -66.97 -12.33 59.42 Favored 'General case' 0 CA--C 1.548 0.897 0 N-CA-C 114.058 1.133 . . . . 53.83 114.058 -176.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -113.55 18.66 17.45 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 112.754 0.65 . . . . 52.74 112.754 174.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' GLY . . . . . . . . . . . . . . . 83.32 11.83 79.81 Favored Glycine 0 C--O 1.235 0.158 0 N-CA-C 115.206 0.842 . . . . 58.5 115.206 174.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 199' ' ' GLY . . . . . . . . . . . . . . . -89.64 170.77 37.15 Favored Glycine 0 C--N 1.334 0.469 0 CA-C-N 116.939 0.369 . . . . 53.39 113.522 -174.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -86.68 1.48 7.52 Favored 'Trans proline' 0 CA--C 1.541 0.87 0 C-N-CA 121.346 1.364 . . . . 58.39 113.854 -174.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ASN . . . . . . . . . . . . . 59.0 t30 52.63 45.02 29.44 Favored 'General case' 0 C--O 1.245 0.835 0 CA-C-O 121.363 0.602 . . . . 51.32 112.422 178.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' LYS . . . . . . . . . . . . . . . -98.52 -17.85 18.49 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 112.76 0.652 . . . . 55.54 112.76 179.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ILE . . . . . . . . . . . . . 20.3 mt -100.11 -46.46 11.89 Favored 'Isoleucine or valine' 0 C--O 1.251 1.142 0 C-N-CA 122.878 0.471 . . . . 55.13 111.954 -175.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' ARG . . . . . 0.581 ' NH1' ' N7 ' ' B' ' 7' ' ' ' DG' . 8.3 mtm-85 60.91 51.03 4.83 Favored 'General case' 0 C--O 1.252 1.229 0 N-CA-C 115.648 1.721 . . . . 59.47 115.648 169.219 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' GLN . . . . . . . . . . . . . 70.1 mm-40 -124.74 156.89 36.94 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.014 -0.539 . . . . 33.59 110.151 171.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' LYS . . . . . 0.417 ' HG3' " H3'" ' C' ' 5' ' ' ' DT' . 28.3 mtmt -61.26 153.92 25.01 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-N 116.032 -0.531 . . . . 35.54 112.098 175.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' CYS . . . . . . . . . . . . . 41.7 t -40.78 134.0 1.96 Allowed 'General case' 0 C--O 1.24 0.597 0 O-C-N 124.072 0.858 . . . . 31.96 112.5 169.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' ARG . . . . . . . . . . . . . 19.0 mmt180 -48.61 -39.5 24.18 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.028 0.531 . . . . 51.97 111.966 175.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' LEU . . . . . 0.4 ' O ' ' HD2' ' A' ' 181' ' ' ARG . 12.4 mt -71.19 -18.52 62.48 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.345 1.239 . . . . 39.91 114.345 -179.883 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -102.44 8.13 40.16 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 113.13 0.789 . . . . 51.79 113.13 178.994 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' GLN . . . . . . . . . . . . . 63.6 mm-40 -76.67 117.46 18.32 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 109.244 -0.65 . . . . 34.81 109.244 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' CYS . . . . . . . . . . . . . 41.8 t -50.27 124.7 10.89 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 119.838 -0.745 . . . . 40.04 111.29 -175.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -63.97 -27.79 69.37 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.793 1.035 . . . . 60.86 113.793 -179.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' LEU . . . . . . . . . . . . . 13.4 mt -86.64 -50.5 6.75 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 114.094 1.146 . . . . 59.48 114.094 175.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' ARG . . . . . . . . . . . . . 87.5 mtt180 -105.3 -16.5 14.74 Favored 'General case' 0 C--O 1.246 0.894 0 N-CA-C 118.307 2.706 . . . . 68.28 118.307 -164.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' ALA . . . . . . . . . . . . . . . -65.73 148.41 51.81 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 111.559 0.207 . . . . 46.09 111.559 -179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 -51.05 130.6 26.15 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 108.578 -0.897 . . . . 49.08 108.578 170.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' GLU . . . . . . . . . . . . . . . -53.85 -35.73 61.83 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 116.507 -0.315 . . . . 57.99 111.845 -171.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' SER . . . . . . . . . . . . . 82.8 p -69.88 -8.48 48.95 Favored 'General case' 0 CA--C 1.543 0.7 0 N-CA-C 115.28 1.585 . . . . 56.23 115.28 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' TYR . . . . . . . . . . . . . 17.5 m-30 -91.99 -20.72 21.06 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 115.024 1.49 . . . . 50.51 115.024 -178.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' LYS . . . . . . . . . . . . . 74.1 mttt . . . . . 0 C--O 1.25 1.085 0 N-CA-C 114.133 1.161 . . . . 57.76 114.133 -176.915 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.528 2.081 0 O4'-C4'-C3' 103.717 -1.883 . . . . 92.96 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.927 1 P-O3'-C3' 125.773 5.061 . . . . 93.87 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.417 -1.04 0 C3'-C2'-C1' 97.477 -3.73 . . . . 91.15 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.54 2.232 1 O4'-C1'-N19 104.211 -4.486 . . . . 87.83 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.291 0 P-O3'-C3' 123.705 3.337 . . . . 86.41 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ' DC' . . . . . 0.481 H2'' HH12 ' A' ' 204' ' ' ARG . . . . . . . . 0 O3'--C3' 1.409 -1.659 0 P-O3'-C3' 123.228 2.94 . . . . 74.67 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.581 ' N7 ' ' NH1' ' A' ' 204' ' ' ARG . . . . . . . . 0 C3'--C2' 1.541 2.281 0 P-O3'-C3' 123.139 2.866 . . . . 72.47 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.547 2.861 1 O4'-C1'-N19 102.552 -6.56 . . . . 63.15 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.715 0 O4'-C1'-N19 110.634 3.543 . . . . 61.48 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.537 1.905 1 O4'-C1'-N19 102.634 -6.457 . . . . 67.43 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.533 1.506 0 P-O3'-C3' 123.875 3.479 . . . . 76.13 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.403 -1.31 0 P-O3'-C3' 123.551 3.209 . . . . 78.1 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.41 -1.878 0 C4'-C3'-O3' 105.326 -2.261 . . . . 96.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.406 -1.943 0 P-O3'-C3' 124.358 3.882 . . . . 102.03 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.405 H2'' ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.41 -1.597 2 O4'-C1'-N19 104.05 -4.688 . . . . 101.7 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.405 ' C8 ' H2'' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 P--O5' 1.61 1.713 1 O4'-C1'-N19 102.904 -6.12 . . . . 94.03 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.417 " H3'" ' HG3' ' A' ' 206' ' ' LYS . . . . . . . . 0 O3'--C3' 1.467 2.765 2 C3'-C2'-C1' 96.644 -4.326 . . . . 72.66 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ' DC' . . . . . 0.66 " H2'" ' C8 ' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 P--O5' 1.615 2.167 2 OP1-P-OP2 111.443 -5.438 . . . . 57.62 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.66 ' C8 ' " H2'" ' C' ' 6' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.392 -3.027 0 P-O3'-C3' 124.399 3.915 . . . . 62.99 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.542 2.421 1 O4'-C1'-N19 104.068 -4.664 . . . . 72.69 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ' DT' . . . . . 0.51 H2'' ' C8 ' ' C' ' 10' ' ' ' DG' . . . . . . . . 0 P--O3' 1.594 -1.113 0 C3'-C2'-C1' 97.968 -3.38 . . . . 87.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ' DG' . . . . . 0.51 ' C8 ' H2'' ' C' ' 9' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.4 -2.381 0 C3'-C2'-C1' 98.793 -2.791 . . . . 104.72 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.399 -2.471 0 C3'-C2'-C1' 98.813 -2.777 . . . . 120.0 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.587 -1.669 0 O4'-C1'-N19 110.511 3.388 . . . . 133.91 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_