data_7cyu_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 7cyu _Structure_validation_residue.Date_analyzed 2020-10-16 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 ' 68' ' ' LYS . . . . . . . . . . . . . 70.6 tttt . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.419 0.152 . . . . 78.42 110.679 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -64.57 146.01 88.3 Favored 'Trans proline' 0 C--O 1.233 0.262 0 O-C-N 122.945 0.971 . . . . 75.23 112.437 -175.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.5 tp -91.49 139.02 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.074 -0.966 . . . . 67.23 110.2 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 tpt -53.7 146.89 24.21 Favored Pre-proline 0 C--O 1.237 0.442 0 C-N-CA 123.423 0.689 . . . . 72.94 109.903 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.84 -44.72 46.75 Favored 'Trans proline' 0 C--O 1.238 0.505 0 N-CA-C 113.602 0.578 . . . . 53.48 113.602 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -61.6 -37.21 83.08 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.815 -0.354 . . . . 55.12 111.607 -174.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 mtp -89.96 -27.66 19.66 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.349 -0.54 . . . . 79.63 112.38 -171.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.0 ttt-85 -60.83 -35.34 76.29 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.262 -0.899 . . . . 79.8 110.467 168.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -64.23 -38.45 91.1 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.477 -0.489 . . . . 52.68 110.93 171.043 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -65.53 -39.54 91.91 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.267 -0.573 . . . . 55.42 111.135 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 25.2 ttp180 -66.97 -43.41 83.12 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.419 -0.513 . . . . 68.66 111.3 178.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -66.51 -21.76 66.18 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.63 0.604 . . . . 73.03 112.63 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -116.42 -0.64 8.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 113.011 0.745 . . . . 49.7 113.011 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -63.48 -45.19 91.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.38 0.537 . . . . 52.15 111.952 -172.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -66.09 -39.92 90.37 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.324 -0.55 . . . . 61.39 111.671 -172.61 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -69.03 -25.83 64.68 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.203 -0.599 . . . . 66.3 111.803 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.47 -39.54 76.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 120.091 -0.643 . . . . 59.04 110.042 172.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.89 -33.02 74.67 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.075 -0.65 . . . . 75.56 111.287 173.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.32 -29.24 68.76 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.305 -0.558 . . . . 66.13 111.749 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.5 p -72.69 -17.38 61.64 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.203 -0.599 . . . . 59.4 112.447 -178.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -171.41 89.49 0.45 Allowed Pre-proline 0 C--O 1.236 0.388 0 C-N-CA 123.865 0.866 . . . . 63.18 108.801 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -63.86 -16.54 55.38 Favored 'Trans proline' 0 C--O 1.237 0.446 0 N-CA-C 113.95 0.712 . . . . 66.26 113.95 -177.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -74.08 -4.1 33.51 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.772 0.714 . . . . 75.23 112.873 176.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.7 mt -72.14 131.06 42.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.424 0.556 . . . . 62.25 110.51 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -78.0 167.06 22.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.84 0.829 . . . . 72.26 110.286 176.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . 0.457 ' N ' ' O2 ' ' A' ' 202' ' ' SO4 . 78.6 mt -56.93 -44.72 82.74 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.393 -0.821 . . . . 51.96 111.51 -175.387 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -67.12 -28.04 67.82 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.759 -0.777 . . . . 62.42 111.594 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.25 -33.17 67.32 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.154 -0.618 . . . . 67.69 111.534 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.83 -45.16 88.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 120.599 -0.44 . . . . 48.46 110.609 176.541 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.54 -37.64 95.04 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.031 -1.08 . . . . 50.34 112.758 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -63.75 -41.04 98.07 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 122.173 -0.604 . . . . 66.47 111.111 177.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.5 mt -68.38 -43.34 84.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 120.938 0.399 . . . . 52.53 110.622 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.0 mt -59.59 -37.15 69.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 122.035 -0.416 . . . . 49.39 110.416 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.95 -39.82 92.35 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.094 -1.051 . . . . 51.52 112.309 174.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.98 92.52 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 119.828 -1.177 . . . . 53.67 112.563 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 69.6 mtp -65.01 -40.34 94.76 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.259 -0.554 . . . . 51.03 111.227 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -64.05 -37.54 87.82 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.072 -0.651 . . . . 52.89 110.992 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.82 -36.1 80.15 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.621 -0.432 . . . . 75.35 111.219 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.3 -8.84 57.05 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.024 0.75 . . . . 67.23 113.024 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.9 mt -73.39 145.91 45.5 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.506 0.67 . . . . 62.26 111.238 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.2 p -71.09 164.38 25.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.816 0.817 . . . . 60.17 110.176 173.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -67.79 -32.45 73.03 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.371 -0.832 . . . . 81.06 111.54 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -73.38 -34.51 65.59 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.305 -0.558 . . . . 73.74 111.336 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.41 -47.1 85.6 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.479 -0.488 . . . . 68.35 110.855 173.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.35 -36.36 77.83 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.516 -0.474 . . . . 53.64 111.194 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLN . . . . . 0.422 ' NE2' ' OD1' ' A' ' 117' ' ' ASN . 67.8 tp60 -63.94 -32.54 74.1 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.331 -0.548 . . . . 57.02 111.468 -178.506 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -61.25 -41.68 97.33 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.311 -0.556 . . . . 78.23 111.251 175.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -70.83 -34.75 72.01 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.031 -0.668 . . . . 50.92 111.39 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.71 -37.36 82.15 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.195 -0.602 . . . . 62.01 111.025 175.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ASN . . . . . 0.422 ' OD1' ' NE2' ' A' ' 113' ' ' GLN . 98.1 m-20 -64.28 -46.74 82.34 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.539 -0.464 . . . . 54.46 110.712 174.99 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -58.89 -45.19 90.85 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.829 -0.348 . . . . 67.18 111.283 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -65.29 -35.83 82.2 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.785 -0.766 . . . . 63.14 111.031 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -63.01 -43.55 98.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.441 -0.504 . . . . 66.45 110.94 177.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.48 83.76 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.175 -0.61 . . . . 60.62 111.051 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.15 -38.9 89.23 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.713 -0.395 . . . . 76.1 111.238 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -65.92 -41.05 91.91 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.878 -0.329 . . . . 74.56 111.326 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.64 -43.51 98.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 120.939 0.399 . . . . 67.37 110.451 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.82 -48.3 74.9 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.945 -0.472 . . . . 74.02 111.352 -177.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -64.29 -43.52 94.51 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.545 -0.462 . . . . 87.6 111.39 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -63.9 -26.26 68.52 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.277 -0.569 . . . . 88.23 111.876 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.45 33.7 0.57 Allowed 'General case' 0 C--O 1.238 0.482 0 N-CA-C 112.21 0.448 . . . . 96.56 112.21 173.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.067 -0.396 . . . . 80.6 110.269 178.552 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' SO4 . . . . . 0.457 ' O2 ' ' N ' ' A' ' 93' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 70.6 tttt . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.419 0.152 . . . . 78.420000000000002 110.679 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 41.8 Cg_exo -64.57 146.01 88.3 Favored 'Trans proline' 0 C--O 1.233 0.262 0 O-C-N 122.945 0.971 . . . . 75.230000000000004 112.437 -175.486 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.5 tp -91.49 139.02 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.074 -0.966 . . . . 67.230000000000004 110.2 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 tpt -53.7 146.89 24.21 Favored Pre-proline 0 C--O 1.237 0.442 0 C-N-CA 123.423 0.689 . . . . 72.939999999999998 109.903 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.84 -44.72 46.75 Favored 'Trans proline' 0 C--O 1.238 0.505 0 N-CA-C 113.602 0.578 . . . . 53.479999999999997 113.602 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -61.6 -37.21 83.08 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.815 -0.354 . . . . 55.119999999999997 111.607 -174.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 mtp -89.96 -27.66 19.66 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.349 -0.54 . . . . 79.629999999999995 112.38 -171.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . 0.513 HH21 HH12 ' A' ' 78' ' ' ARG . 2.0 ttt-85 -60.83 -35.34 76.29 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.262 -0.899 . . . . 79.799999999999997 110.467 168.271 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -64.23 -38.45 91.1 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.477 -0.489 . . . . 52.68 110.93 171.043 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -65.53 -39.54 91.91 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.267 -0.573 . . . . 55.420000000000002 111.135 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ARG . . . . . 0.513 HH12 HH21 ' A' ' 75' ' ' ARG . 25.2 ttp180 -66.97 -43.41 83.12 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.419 -0.513 . . . . 68.659999999999997 111.3 178.179 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -66.51 -21.76 66.18 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.63 0.604 . . . . 73.030000000000001 112.63 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -116.42 -0.64 8.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 113.011 0.745 . . . . 49.700000000000003 113.011 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -63.48 -45.19 91.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.38 0.537 . . . . 52.149999999999999 111.952 -172.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -66.09 -39.92 90.37 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.324 -0.55 . . . . 61.390000000000001 111.671 -172.61 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -69.03 -25.83 64.68 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.203 -0.599 . . . . 66.299999999999997 111.803 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.47 -39.54 76.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 120.091 -0.643 . . . . 59.039999999999999 110.042 172.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.89 -33.02 74.67 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.075 -0.65 . . . . 75.560000000000002 111.287 173.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.32 -29.24 68.76 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.305 -0.558 . . . . 66.129999999999995 111.749 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.5 p -72.69 -17.38 61.64 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.203 -0.599 . . . . 59.399999999999999 112.447 -178.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -171.41 89.49 0.45 Allowed Pre-proline 0 C--O 1.236 0.388 0 C-N-CA 123.865 0.866 . . . . 63.18 108.801 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -63.86 -16.54 55.38 Favored 'Trans proline' 0 C--O 1.237 0.446 0 N-CA-C 113.95 0.712 . . . . 66.260000000000005 113.95 -177.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -74.08 -4.1 33.51 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.772 0.714 . . . . 75.230000000000004 112.873 176.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.7 mt -72.14 131.06 42.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.424 0.556 . . . . 62.25 110.51 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -78.0 167.06 22.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.84 0.829 . . . . 72.260000000000005 110.286 176.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.93 -44.72 82.74 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.393 -0.821 . . . . 51.960000000000001 111.51 -175.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -67.12 -28.04 67.82 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.759 -0.777 . . . . 62.420000000000002 111.594 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.25 -33.17 67.32 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.154 -0.618 . . . . 67.689999999999998 111.534 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.83 -45.16 88.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 120.599 -0.44 . . . . 48.460000000000001 110.609 176.541 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.54 -37.64 95.04 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.031 -1.08 . . . . 50.340000000000003 112.758 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -63.75 -41.04 98.07 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 122.173 -0.604 . . . . 66.469999999999999 111.111 177.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.5 mt -68.38 -43.34 84.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 120.938 0.399 . . . . 52.530000000000001 110.622 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.0 mt -59.59 -37.15 69.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 122.035 -0.416 . . . . 49.390000000000001 110.416 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.95 -39.82 92.35 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.094 -1.051 . . . . 51.520000000000003 112.309 174.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.98 92.52 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 119.828 -1.177 . . . . 53.670000000000002 112.563 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 69.6 mtp -65.01 -40.34 94.76 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.259 -0.554 . . . . 51.030000000000001 111.227 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -64.05 -37.54 87.82 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.072 -0.651 . . . . 52.890000000000001 110.992 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.82 -36.1 80.15 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.621 -0.432 . . . . 75.349999999999994 111.219 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.3 -8.84 57.05 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.024 0.75 . . . . 67.230000000000004 113.024 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.9 mt -73.39 145.91 45.5 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.506 0.67 . . . . 62.259999999999998 111.238 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.2 p -71.09 164.38 25.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.816 0.817 . . . . 60.170000000000002 110.176 173.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -67.79 -32.45 73.03 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.371 -0.832 . . . . 81.060000000000002 111.54 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -73.38 -34.51 65.59 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.305 -0.558 . . . . 73.739999999999995 111.336 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.41 -47.1 85.6 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.479 -0.488 . . . . 68.349999999999994 110.855 173.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.35 -36.36 77.83 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.516 -0.474 . . . . 53.640000000000001 111.194 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -63.94 -32.54 74.1 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.331 -0.548 . . . . 57.020000000000003 111.468 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -61.25 -41.68 97.33 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.311 -0.556 . . . . 78.230000000000004 111.251 175.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -70.83 -34.75 72.01 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.031 -0.668 . . . . 50.920000000000002 111.39 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.71 -37.36 82.15 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.195 -0.602 . . . . 62.009999999999998 111.025 175.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.28 -46.74 82.34 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.539 -0.464 . . . . 54.460000000000001 110.712 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -58.89 -45.19 90.85 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.829 -0.348 . . . . 67.180000000000007 111.283 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -65.29 -35.83 82.2 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.785 -0.766 . . . . 63.140000000000001 111.031 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -63.01 -43.55 98.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.441 -0.504 . . . . 66.450000000000003 110.94 177.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.48 83.76 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.175 -0.61 . . . . 60.619999999999997 111.051 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.15 -38.9 89.23 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.713 -0.395 . . . . 76.099999999999994 111.238 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -65.92 -41.05 91.91 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.878 -0.329 . . . . 74.560000000000002 111.326 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.64 -43.51 98.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 120.939 0.399 . . . . 67.370000000000005 110.451 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.82 -48.3 74.9 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.945 -0.472 . . . . 74.019999999999996 111.352 -177.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -64.29 -43.52 94.51 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.545 -0.462 . . . . 87.599999999999994 111.39 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -63.9 -26.26 68.52 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.277 -0.569 . . . . 88.230000000000004 111.876 -179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.45 33.7 0.57 Allowed 'General case' 0 C--O 1.238 0.482 0 N-CA-C 112.21 0.448 . . . . 96.560000000000002 112.21 173.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.067 -0.396 . . . . 80.599999999999994 110.269 178.552 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 70.6 tttt . . . . . 0 CA--C 1.529 0.151 0 CA-C-O 120.419 0.152 . . . . 78.420000000000002 110.679 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 68' ' ' LYS . 41.8 Cg_exo -64.57 146.01 88.3 Favored 'Trans proline' 0 C--O 1.233 0.262 0 O-C-N 122.945 0.971 . . . . 75.230000000000004 112.437 -175.486 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.5 tp -91.49 139.02 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.074 -0.966 . . . . 67.230000000000004 110.2 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.9 tpt -53.7 146.89 24.21 Favored Pre-proline 0 C--O 1.237 0.442 0 C-N-CA 123.423 0.689 . . . . 72.939999999999998 109.903 -179.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.84 -44.72 46.75 Favored 'Trans proline' 0 C--O 1.238 0.505 0 N-CA-C 113.602 0.578 . . . . 53.479999999999997 113.602 -179.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -61.6 -37.21 83.08 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.815 -0.354 . . . . 55.119999999999997 111.607 -174.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 mtp -89.96 -27.66 19.66 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 120.349 -0.54 . . . . 79.629999999999995 112.38 -171.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.513 HH21 HH12 ' A' ' 78' ' ' ARG . 2.0 ttt-85 -60.83 -35.34 76.29 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 121.262 -0.899 . . . . 79.799999999999997 110.467 168.271 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -64.23 -38.45 91.1 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 120.477 -0.489 . . . . 52.68 110.93 171.043 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.6 m -65.53 -39.54 91.91 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.267 -0.573 . . . . 55.420000000000002 111.135 178.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.513 HH12 HH21 ' A' ' 75' ' ' ARG . 25.2 ttp180 -66.97 -43.41 83.12 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.419 -0.513 . . . . 68.659999999999997 111.3 178.179 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -66.51 -21.76 66.18 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.63 0.604 . . . . 73.030000000000001 112.63 -177.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 p -116.42 -0.64 8.98 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 113.011 0.745 . . . . 49.700000000000003 113.011 -171.815 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' TRP . . . . . . . . . . . . . 34.4 t-105 -63.48 -45.19 91.9 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 118.38 0.537 . . . . 52.149999999999999 111.952 -172.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -66.09 -39.92 90.37 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 120.324 -0.55 . . . . 61.390000000000001 111.671 -172.61 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 80.8 mm-40 -69.03 -25.83 64.68 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.203 -0.599 . . . . 66.299999999999997 111.803 179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 88.1 t -70.47 -39.54 76.42 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 C-N-CA 120.091 -0.643 . . . . 59.039999999999999 110.042 172.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -66.89 -33.02 74.67 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.075 -0.65 . . . . 75.560000000000002 111.287 173.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -67.32 -29.24 68.76 Favored 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.305 -0.558 . . . . 66.129999999999995 111.749 179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 98.5 p -72.69 -17.38 61.64 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 120.203 -0.599 . . . . 59.399999999999999 112.447 -178.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 64.4 t-20 -171.41 89.49 0.45 Allowed Pre-proline 0 C--O 1.236 0.388 0 C-N-CA 123.865 0.866 . . . . 63.18 108.801 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.8 Cg_exo -63.86 -16.54 55.38 Favored 'Trans proline' 0 C--O 1.237 0.446 0 N-CA-C 113.95 0.712 . . . . 66.260000000000005 113.95 -177.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -74.08 -4.1 33.51 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 118.772 0.714 . . . . 75.230000000000004 112.873 176.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 67.7 mt -72.14 131.06 42.29 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 118.424 0.556 . . . . 62.25 110.51 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -78.0 167.06 22.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.84 0.829 . . . . 72.260000000000005 110.286 176.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.6 mt -56.93 -44.72 82.74 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 115.393 -0.821 . . . . 51.960000000000001 111.51 -175.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' TRP . . . . . . . . . . . . . 65.3 p-90 -67.12 -28.04 67.82 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.759 -0.777 . . . . 62.420000000000002 111.594 -178.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -72.25 -33.17 67.32 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.154 -0.618 . . . . 67.689999999999998 111.534 176.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.83 -45.16 88.34 Favored 'Isoleucine or valine' 0 C--O 1.237 0.427 0 C-N-CA 120.599 -0.44 . . . . 48.460000000000001 110.609 176.541 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.54 -37.64 95.04 Favored Glycine 0 C--N 1.334 0.42 0 C-N-CA 120.031 -1.08 . . . . 50.340000000000003 112.758 179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -63.75 -41.04 98.07 Favored 'General case' 0 C--O 1.237 0.416 0 O-C-N 122.173 -0.604 . . . . 66.469999999999999 111.111 177.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 42.5 mt -68.38 -43.34 84.28 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 120.938 0.399 . . . . 52.530000000000001 110.622 -179.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 38.0 mt -59.59 -37.15 69.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 O-C-N 122.035 -0.416 . . . . 49.390000000000001 110.416 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.95 -39.82 92.35 Favored Glycine 0 C--N 1.334 0.467 0 C-N-CA 120.094 -1.051 . . . . 51.520000000000003 112.309 174.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.98 92.52 Favored Glycine 0 C--N 1.332 0.355 0 C-N-CA 119.828 -1.177 . . . . 53.670000000000002 112.563 175.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 69.6 mtp -65.01 -40.34 94.76 Favored 'General case' 0 C--O 1.237 0.433 0 O-C-N 122.259 -0.554 . . . . 51.030000000000001 111.227 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 39.8 t-105 -64.05 -37.54 87.82 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.072 -0.651 . . . . 52.890000000000001 110.992 176.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.82 -36.1 80.15 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.621 -0.432 . . . . 75.349999999999994 111.219 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -72.3 -8.84 57.05 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.024 0.75 . . . . 67.230000000000004 113.024 -179.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 76.9 mt -73.39 145.91 45.5 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-O 121.506 0.67 . . . . 62.259999999999998 111.238 -175.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' THR . . . . . . . . . . . . . 61.2 p -71.09 164.38 25.7 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-O 121.816 0.817 . . . . 60.170000000000002 110.176 173.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -67.79 -32.45 73.03 Favored 'General case' 0 C--O 1.238 0.481 0 CA-C-N 115.371 -0.832 . . . . 81.060000000000002 111.54 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -73.38 -34.51 65.59 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.305 -0.558 . . . . 73.739999999999995 111.336 178.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -62.41 -47.1 85.6 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.479 -0.488 . . . . 68.349999999999994 110.855 173.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.35 -36.36 77.83 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.516 -0.474 . . . . 53.640000000000001 111.194 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 67.8 tp60 -63.94 -32.54 74.1 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 120.331 -0.548 . . . . 57.020000000000003 111.468 -178.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -61.25 -41.68 97.33 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 120.311 -0.556 . . . . 78.230000000000004 111.251 175.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -70.83 -34.75 72.01 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.031 -0.668 . . . . 50.920000000000002 111.39 176.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.71 -37.36 82.15 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.195 -0.602 . . . . 62.009999999999998 111.025 175.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -64.28 -46.74 82.34 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.539 -0.464 . . . . 54.460000000000001 110.712 174.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -58.89 -45.19 90.85 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.829 -0.348 . . . . 67.180000000000007 111.283 -179.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -65.29 -35.83 82.2 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 119.785 -0.766 . . . . 63.140000000000001 111.031 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -63.01 -43.55 98.45 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.441 -0.504 . . . . 66.450000000000003 110.94 177.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -65.68 -36.48 83.76 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.175 -0.61 . . . . 60.619999999999997 111.051 174.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -66.15 -38.9 89.23 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 120.713 -0.395 . . . . 76.099999999999994 111.238 178.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -65.92 -41.05 91.91 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.878 -0.329 . . . . 74.560000000000002 111.326 179.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ILE . . . . . . . . . . . . . 33.9 mm -62.64 -43.51 98.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-O 120.939 0.399 . . . . 67.370000000000005 110.451 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -64.82 -48.3 74.9 Favored 'General case' 0 C--O 1.238 0.451 0 O-C-N 121.945 -0.472 . . . . 74.019999999999996 111.352 -177.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -64.29 -43.52 94.51 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 120.545 -0.462 . . . . 87.599999999999994 111.39 -176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.443 HD22 ' N ' ' A' ' 127' ' ' ASN . 1.3 m120 -63.9 -26.26 68.52 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.277 -0.569 . . . . 88.230000000000004 111.876 -179.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -85.45 33.7 0.57 Allowed 'General case' 0 C--O 1.238 0.482 0 N-CA-C 112.21 0.448 . . . . 96.560000000000002 112.21 173.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.328 -0.327 0 O-C-N 122.067 -0.396 . . . . 80.599999999999994 110.269 178.552 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_