data_1ddw_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 1ddw _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 57.5 mtp . . . . . 0 N--CA 1.502 2.151 0 CA-C-O 121.329 0.585 . . . . 31.71 110.747 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.47 -35.79 40.74 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 110.666 -0.974 . . . . 29.49 110.666 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -127.76 113.67 16.29 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 108.4 -0.963 . . . . 32.38 108.4 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -106.41 119.61 51.28 Favored Pre-proline 0 C--O 1.215 -0.717 0 N-CA-C 114.807 1.41 . . . . 30.76 114.807 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -71.24 132.03 20.24 Favored 'Trans proline' 0 C--O 1.214 -0.679 0 C-N-CA 122.061 1.84 . . . . 20.72 109.02 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.5 mm -119.44 -51.3 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.781 0 N-CA-C 114.812 1.412 . . . . 20.99 114.812 -176.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -148.76 139.89 23.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.923 -0.58 . . . . 23.01 110.542 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 74.8 m -135.69 139.5 43.73 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 121.079 -0.248 . . . . 22.43 111.434 177.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 378' ' ' HOH . 11.0 t -142.12 -175.38 4.4 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.981 0.913 . . . . 19.83 108.642 179.01 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -131.01 148.67 52.78 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 108.251 -1.018 . . . . 36.05 108.251 -179.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.03 162.6 9.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 123.848 0.718 . . . . 14.3 109.531 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -88.18 139.35 30.59 Favored 'General case' 0 C--O 1.254 1.301 0 N-CA-C 102.293 -3.225 . . . . 19.07 102.293 173.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.09 142.8 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-N 116.065 -0.516 . . . . 14.99 109.74 -175.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -139.49 162.23 35.57 Favored 'General case' 0 C--O 1.232 0.164 0 O-C-N 124.232 0.958 . . . . 20.89 109.335 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -134.74 148.5 50.28 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 105.787 -1.931 . . . . 25.65 105.787 172.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.4 tp -75.33 152.36 6.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.718 -1.586 . . . . 24.0 106.718 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.15 128.1 93.47 Favored Pre-proline 0 C--O 1.243 0.716 0 N-CA-C 108.22 -1.03 . . . . 37.77 108.22 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -51.95 -42.31 58.91 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 124.672 3.581 . . . . 30.79 115.118 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 34.0 t30 -61.58 -51.27 69.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 119.383 3.105 . . . . 42.22 119.383 -177.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.2 p -122.09 -4.89 8.99 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 113.915 1.08 . . . . 34.75 113.915 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 57.22 38.4 28.78 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 123.982 0.801 . . . . 38.74 112.323 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -129.14 -31.94 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.387 1.254 . . . . 39.44 114.387 178.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -90.02 133.25 34.93 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.539 0.57 . . . . 32.49 112.539 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -86.1 133.92 33.85 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 119.867 -0.733 . . . . 20.59 111.578 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.13 124.04 30.17 Favored Pre-proline 0 CA--C 1.542 0.643 0 N-CA-C 109.188 -0.671 . . . . 22.64 109.188 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -67.45 140.77 53.55 Favored 'Trans proline' 0 CA--C 1.512 -0.577 0 N-CA-C 109.864 -0.86 . . . . 21.13 109.864 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.2 m -109.09 -24.32 11.23 Favored 'General case' 0 CA--C 1.513 -0.471 0 O-C-N 125.335 1.647 . . . . 27.37 112.023 179.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.1 p -123.68 148.36 46.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 105.545 -2.02 . . . . 28.34 105.545 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -88.38 -29.55 20.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 123.685 1.707 . . . . 46.08 107.687 178.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -111.49 169.83 8.54 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.552 -1.204 . . . . 37.85 108.299 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.47 143.93 44.43 Favored 'General case' 0 N--CA 1.43 -1.437 1 N-CA-C 98.597 -4.594 . . . . 27.81 98.597 173.505 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.79 170.31 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 N-CA-C 107.158 -1.423 . . . . 21.5 107.158 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 378' ' ' HOH . 30.2 m -77.37 131.74 38.21 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 107.425 -1.324 . . . . 20.36 107.425 178.399 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.9 t -122.26 130.4 74.57 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.798 0 N-CA-C 103.303 -2.851 . . . . 17.94 103.303 176.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -136.56 161.69 35.2 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 117.222 2.304 . . . . 16.86 117.222 -176.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -107.91 128.76 54.91 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 105.791 -1.929 . . . . 19.67 105.791 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -124.61 147.76 48.3 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.018 0.927 . . . . 22.33 109.297 177.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -107.51 118.35 36.5 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 106.567 -1.642 . . . . 39.91 106.567 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -96.83 107.25 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 105.104 -2.184 . . . . 31.81 105.104 -179.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 93.2 p -85.22 -12.11 53.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.327 -0.549 . . . . 37.24 111.999 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 m -73.75 -27.56 61.23 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.333 -1.358 . . . . 43.07 107.333 179.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.3 mtt85 -118.83 -5.94 10.59 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.298 0.639 . . . . 47.75 112.375 179.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 59.22 55.59 4.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 113.951 1.093 . . . . 43.43 113.951 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 315' ' ' HOH . 11.7 m -153.3 155.87 5.99 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 C-N-CA 123.508 0.723 . . . . 32.41 110.596 179.081 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -91.93 146.73 23.51 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 105.206 -2.146 . . . . 38.25 105.206 174.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . 0.457 ' NH2' ' O ' ' A' ' 315' ' ' HOH . 85.5 mtt-85 -131.07 145.29 51.96 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 108.492 -0.929 . . . . 42.85 108.492 -179.801 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.1 mt -102.17 118.55 49.18 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 N-CA-C 101.467 -3.531 . . . . 19.24 101.467 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 92.0 mt -125.64 135.17 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 113.582 0.956 . . . . 19.87 113.582 -175.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.7 t -148.26 133.25 18.16 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 124.104 0.878 . . . . 17.67 109.876 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 59.1 mt -121.07 145.42 47.8 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 107.284 -1.376 . . . . 27.63 107.284 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -112.41 106.56 15.09 Favored 'General case' 0 C--N 1.318 -0.775 1 N-CA-C 95.008 -5.923 . . . . 29.35 95.008 175.919 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.45 -126.46 25.09 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 105.964 -2.854 . . . . 35.07 105.964 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.1 p -103.64 16.26 26.86 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 122.414 -0.462 . . . . 42.52 110.413 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -105.99 114.51 28.7 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 122.1 -0.375 . . . . 39.9 110.967 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -68.48 122.77 19.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 106.945 -1.502 . . . . 32.56 106.945 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.9 pt -110.4 -10.74 11.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 119.603 -0.839 . . . . 23.29 110.811 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 mt -146.01 132.28 13.8 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 N-CA-C 107.021 -1.474 . . . . 20.46 107.021 174.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -151.37 67.13 0.9 Allowed 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 103.167 -2.901 . . . . 36.21 103.167 174.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -97.32 116.28 29.23 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 116.719 2.118 . . . . 22.66 116.719 -175.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.5 m -76.17 131.62 39.47 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.74 -0.837 . . . . 26.38 108.74 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.7 mt -84.17 127.23 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 C-N-CA 119.268 -0.973 . . . . 24.39 109.804 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 52.3 p -114.58 157.98 41.39 Favored Pre-proline 0 N--CA 1.447 -0.585 0 CA-C-N 115.186 -0.916 . . . . 24.87 109.332 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -48.75 -28.12 12.24 Favored 'Trans proline' 0 C--O 1.214 -0.723 0 N-CA-C 120.355 3.175 . . . . 26.35 120.355 -178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -113.24 7.39 17.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 118.775 -1.17 . . . . 25.83 113.782 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' MSE . . . . . . . . . . . . . 37.1 ttm -69.63 138.23 52.9 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 104.597 -2.371 . . . . 35.72 104.597 179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 t -133.15 137.93 46.43 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 114.939 1.459 . . . . 27.94 114.939 -177.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -99.7 127.18 45.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.243 -1.021 . . . . 20.53 108.243 179.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.6 m -117.48 129.49 55.85 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.704 1.002 . . . . 26.11 113.704 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -79.46 133.49 36.52 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.333 -1.729 . . . . 35.25 106.333 177.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 352' ' ' HOH . 6.3 m -108.05 -22.14 12.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.967 1.707 . . . . 29.96 112.96 -176.795 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.6 p -155.22 -173.66 4.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 101.965 -3.346 . . . . 21.05 101.965 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -75.35 -7.34 53.73 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.085 -0.646 . . . . 42.71 111.049 178.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -133.41 -6.38 2.94 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 114.979 1.474 . . . . 31.21 114.979 -176.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -124.75 142.85 51.12 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.037 -0.665 . . . . 18.47 111.422 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.93 163.49 28.61 Favored Glycine 0 C--O 1.223 -0.561 0 N-CA-C 110.827 -0.909 . . . . 16.09 110.827 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -142.96 166.87 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.229 0.825 . . . . 24.72 113.229 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 8.9 p90 -156.03 149.14 24.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.365 1.066 . . . . 19.37 111.447 174.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.51 139.34 30.63 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.969 1.47 . . . . 26.5 114.969 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASP . . . . . 0.585 ' OD1' ' CG ' ' A' ' 81' ' ' ARG . 9.2 t70 -130.44 117.39 19.6 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.698 -1.251 . . . . 34.8 111.973 -179.261 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.4 m -78.66 -25.35 44.89 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 115.093 1.516 . . . . 41.56 115.093 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ARG . . . . . 0.654 ' NH1' ' O ' ' A' ' 383' ' ' HOH . 4.3 ptm180 -67.89 -41.05 83.36 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 117.477 -1.689 . . . . 46.94 108.605 179.777 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.47 -4.95 40.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 117.931 -1.033 . . . . 29.27 111.094 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.3 t30 53.8 58.29 5.24 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.709 1.204 . . . . 26.87 113.212 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.2 t -155.01 -170.2 3.42 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.533 -0.758 . . . . 27.03 112.055 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.72 126.32 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 103.778 -2.675 . . . . 18.52 103.778 176.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -97.08 146.32 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.219 -0.592 . . . . 22.72 110.799 -179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.75 141.24 12.49 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 106.816 -2.513 . . . . 13.92 106.816 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.1 mt -127.62 127.19 43.38 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 109.778 -0.453 . . . . 14.5 109.778 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.5 117.41 4.84 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 109.202 -1.559 . . . . 14.9 109.202 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -96.83 160.68 14.23 Favored 'General case' 0 C--O 1.204 -1.319 0 N-CA-C 113.907 1.077 . . . . 17.44 113.907 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 65.8 p -73.9 -22.38 59.73 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 121.197 -0.201 . . . . 23.0 110.7 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.9 p -152.97 157.19 40.21 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 118.72 -1.192 . . . . 29.46 111.71 -179.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -34.82 70.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.566 -0.743 . . . . 46.46 111.464 178.6 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -60.85 -37.02 80.65 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.655 -1.218 . . . . 37.27 112.439 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -72.94 -38.73 66.68 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.647 0.61 . . . . 27.21 112.647 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.8 -45.73 88.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.141 -1.8 . . . . 16.75 106.141 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.5 t -57.17 -44.65 83.7 Favored 'General case' 0 C--O 1.251 1.146 0 N-CA-C 114.071 1.138 . . . . 31.45 114.071 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . 0.404 ' NZ ' ' O ' ' A' ' 388' ' ' HOH . 12.5 tptm -69.7 -39.4 76.91 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 115.344 -0.844 . . . . 39.4 109.936 -178.668 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -61.1 -44.19 97.74 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.924 -0.71 . . . . 19.2 112.087 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.91 76.14 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 114.82 -1.082 . . . . 23.02 111.076 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.16 -46.84 72.82 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.83 0.824 . . . . 37.63 110.296 179.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -61.52 -38.59 87.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 32.93 110.072 178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -54.42 -50.72 66.94 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.733 -0.84 . . . . 26.61 108.733 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -58.37 -41.15 84.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.596 -0.729 . . . . 45.3 111.998 -177.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -57.79 -52.34 65.85 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 115.118 1.525 . . . . 47.29 115.118 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -76.02 -9.77 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.373 0.879 . . . . 39.25 113.373 -178.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -76.33 -38.74 55.51 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 105.3 -2.111 . . . . 42.9 105.3 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -69.18 -39.87 78.45 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.623 -1.171 . . . . 51.19 111.239 -179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.35 75.47 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.566 -1.272 . . . . 43.63 107.566 179.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.06 85.4 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.783 -0.644 . . . . 45.84 109.959 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 20.6 ttp-105 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 107.031 -1.47 . . . . 53.57 107.031 177.96 . . . . . . . . 0 0 . 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 . . . . . 0.457 ' O ' ' NH2' ' A' ' 46' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . 0.423 ' O ' ' NE ' ' A' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . 0.405 ' O ' ' CG2' ' A' ' 70' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 378' ' ' HOH . . . . . 0.525 ' O ' ' CG2' ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 382' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 383' ' ' HOH . . . . . 0.654 ' O ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 385' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 386' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 387' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 388' ' ' HOH . . . . . 0.404 ' O ' ' NZ ' ' A' ' 98' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 389' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 391' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 393' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 394' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 395' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 396' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 397' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 398' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 399' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 57.5 mtp . . . . . 0 N--CA 1.502 2.151 0 CA-C-O 121.329 0.585 . . . . 31.71 110.747 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.47 -35.79 40.74 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 110.666 -0.974 . . . . 29.49 110.666 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -127.76 113.67 16.29 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 108.4 -0.963 . . . . 32.38 108.4 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -106.41 119.61 51.28 Favored Pre-proline 0 C--O 1.215 -0.717 0 N-CA-C 114.807 1.41 . . . . 30.76 114.807 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -71.24 132.03 20.24 Favored 'Trans proline' 0 C--O 1.214 -0.679 0 C-N-CA 122.061 1.84 . . . . 20.72 109.02 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.5 mm -119.44 -51.3 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.781 0 N-CA-C 114.812 1.412 . . . . 20.99 114.812 -176.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -148.76 139.89 23.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.923 -0.58 . . . . 23.01 110.542 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 378' ' ' HOH . 74.8 m -135.69 139.5 43.73 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 121.079 -0.248 . . . . 22.43 111.434 177.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 378' ' ' HOH . 11.0 t -142.12 -175.38 4.4 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.981 0.913 . . . . 19.83 108.642 179.01 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -131.01 148.67 52.78 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 108.251 -1.018 . . . . 36.05 108.251 -179.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.03 162.6 9.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 123.848 0.718 . . . . 14.3 109.531 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -88.18 139.35 30.59 Favored 'General case' 0 C--O 1.254 1.301 0 N-CA-C 102.293 -3.225 . . . . 19.07 102.293 173.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.09 142.8 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-N 116.065 -0.516 . . . . 14.99 109.74 -175.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -139.49 162.23 35.57 Favored 'General case' 0 C--O 1.232 0.164 0 O-C-N 124.232 0.958 . . . . 20.89 109.335 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -134.74 148.5 50.28 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 105.787 -1.931 . . . . 25.65 105.787 172.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.4 tp -75.33 152.36 6.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.718 -1.586 . . . . 24.0 106.718 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.15 128.1 93.47 Favored Pre-proline 0 C--O 1.243 0.716 0 N-CA-C 108.22 -1.03 . . . . 37.77 108.22 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -51.95 -42.31 58.91 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 124.672 3.581 . . . . 30.79 115.118 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -61.58 -51.27 69.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 119.383 3.105 . . . . 42.22 119.383 -177.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 62.2 p -122.09 -4.89 8.99 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 113.915 1.08 . . . . 34.75 113.915 -179.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 57.22 38.4 28.78 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 123.982 0.801 . . . . 38.74 112.323 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' A' ' 398' ' ' HOH . 53.7 mttp -129.14 -31.94 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.387 1.254 . . . . 39.44 114.387 178.384 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -90.02 133.25 34.93 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.539 0.57 . . . . 32.49 112.539 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -86.1 133.92 33.85 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 119.867 -0.733 . . . . 20.59 111.578 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.13 124.04 30.17 Favored Pre-proline 0 CA--C 1.542 0.643 0 N-CA-C 109.188 -0.671 . . . . 22.64 109.188 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -67.45 140.77 53.55 Favored 'Trans proline' 0 CA--C 1.512 -0.577 0 N-CA-C 109.864 -0.86 . . . . 21.13 109.864 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . 0.815 HG21 ' O ' ' A' ' 332' ' ' HOH . 14.2 m -109.09 -24.32 11.23 Favored 'General case' 0 CA--C 1.513 -0.471 0 O-C-N 125.335 1.647 . . . . 27.37 112.023 179.465 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.1 p -123.68 148.36 46.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 105.545 -2.02 . . . . 28.34 105.545 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -88.38 -29.55 20.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 123.685 1.707 . . . . 46.08 107.687 178.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -111.49 169.83 8.54 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.552 -1.204 . . . . 37.85 108.299 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.47 143.93 44.43 Favored 'General case' 0 N--CA 1.43 -1.437 1 N-CA-C 98.597 -4.594 . . . . 27.81 98.597 173.505 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.79 170.31 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 N-CA-C 107.158 -1.423 . . . . 21.5 107.158 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 378' ' ' HOH . 30.2 m -77.37 131.74 38.21 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 107.425 -1.324 . . . . 20.36 107.425 178.399 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.9 t -122.26 130.4 74.57 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.798 0 N-CA-C 103.303 -2.851 . . . . 17.94 103.303 176.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -136.56 161.69 35.2 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 117.222 2.304 . . . . 16.86 117.222 -176.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -107.91 128.76 54.91 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 105.791 -1.929 . . . . 19.67 105.791 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' CD1' HD12 ' A' ' 48' ' ' ILE . 71.4 m-85 -124.61 147.76 48.3 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.018 0.927 . . . . 22.33 109.297 177.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -107.51 118.35 36.5 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 106.567 -1.642 . . . . 39.91 106.567 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -96.83 107.25 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 105.104 -2.184 . . . . 31.81 105.104 -179.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 93.2 p -85.22 -12.11 53.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.327 -0.549 . . . . 37.24 111.999 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 m -73.75 -27.56 61.23 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.333 -1.358 . . . . 43.07 107.333 179.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . 0.842 ' HD2' HH21 ' A' ' 46' ' ' ARG . 64.3 mtt85 -118.83 -5.94 10.59 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.298 0.639 . . . . 47.75 112.375 179.457 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 53.4 t30 59.22 55.59 4.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 113.951 1.093 . . . . 43.43 113.951 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 315' ' ' HOH . 11.7 m -153.3 155.87 5.99 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 C-N-CA 123.508 0.723 . . . . 32.41 110.596 179.081 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . 0.435 ' CG ' ' HB3' ' A' ' 106' ' ' PHE . 62.9 m-85 -91.93 146.73 23.51 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 105.206 -2.146 . . . . 38.25 105.206 174.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . 0.842 HH21 ' HD2' ' A' ' 42' ' ' ARG . 85.5 mtt-85 -131.07 145.29 51.96 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 108.492 -0.929 . . . . 42.85 108.492 -179.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.1 mt -102.17 118.55 49.18 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 N-CA-C 101.467 -3.531 . . . . 19.24 101.467 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 37' ' ' PHE . 92.0 mt -125.64 135.17 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 113.582 0.956 . . . . 19.87 113.582 -175.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.7 t -148.26 133.25 18.16 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 124.104 0.878 . . . . 17.67 109.876 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 55' ' ' ALA . 59.1 mt -121.07 145.42 47.8 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 107.284 -1.376 . . . . 27.63 107.284 178.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -112.41 106.56 15.09 Favored 'General case' 0 C--N 1.318 -0.775 1 N-CA-C 95.008 -5.923 . . . . 29.35 95.008 175.919 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.45 -126.46 25.09 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 105.964 -2.854 . . . . 35.07 105.964 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.1 p -103.64 16.26 26.86 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 122.414 -0.462 . . . . 42.52 110.413 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -105.99 114.51 28.7 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 122.1 -0.375 . . . . 39.9 110.967 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . 0.638 ' HA ' HD23 ' A' ' 50' ' ' LEU . . . -68.48 122.77 19.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 106.945 -1.502 . . . . 32.56 106.945 179.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.9 pt -110.4 -10.74 11.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 119.603 -0.839 . . . . 23.29 110.811 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 mt -146.01 132.28 13.8 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 N-CA-C 107.021 -1.474 . . . . 20.46 107.021 174.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -151.37 67.13 0.9 Allowed 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 103.167 -2.901 . . . . 36.21 103.167 174.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -97.32 116.28 29.23 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 116.719 2.118 . . . . 22.66 116.719 -175.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . 0.503 ' O ' ' HE1' ' A' ' 65' ' ' MSE . 15.5 m -76.17 131.62 39.47 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.74 -0.837 . . . . 26.38 108.74 179.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.7 mt -84.17 127.23 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 C-N-CA 119.268 -0.973 . . . . 24.39 109.804 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . 0.453 ' HB ' ' HD2' ' A' ' 63' ' ' PRO . 52.3 p -114.58 157.98 41.39 Favored Pre-proline 0 N--CA 1.447 -0.585 0 CA-C-N 115.186 -0.916 . . . . 24.87 109.332 179.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 62' ' ' THR . 9.5 Cg_endo -48.75 -28.12 12.24 Favored 'Trans proline' 0 C--O 1.214 -0.723 0 N-CA-C 120.355 3.175 . . . . 26.35 120.355 -178.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -113.24 7.39 17.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 118.775 -1.17 . . . . 25.83 113.782 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' MSE . . . . . 0.503 ' HE1' ' O ' ' A' ' 60' ' ' THR . 37.1 ttm -69.63 138.23 52.9 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 104.597 -2.371 . . . . 35.72 104.597 179.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 t -133.15 137.93 46.43 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 114.939 1.459 . . . . 27.94 114.939 -177.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -99.7 127.18 45.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.243 -1.021 . . . . 20.53 108.243 179.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.6 m -117.48 129.49 55.85 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.704 1.002 . . . . 26.11 113.704 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -79.46 133.49 36.52 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.333 -1.729 . . . . 35.25 106.333 177.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . 0.561 HG21 ' O ' ' A' ' 352' ' ' HOH . 6.3 m -108.05 -22.14 12.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.967 1.707 . . . . 29.96 112.96 -176.795 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.6 p -155.22 -173.66 4.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 101.965 -3.346 . . . . 21.05 101.965 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 97.0 mm-40 -75.35 -7.34 53.73 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.085 -0.646 . . . . 42.71 111.049 178.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -133.41 -6.38 2.94 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 114.979 1.474 . . . . 31.21 114.979 -176.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -124.75 142.85 51.12 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.037 -0.665 . . . . 18.47 111.422 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.93 163.49 28.61 Favored Glycine 0 C--O 1.223 -0.561 0 N-CA-C 110.827 -0.909 . . . . 16.09 110.827 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -142.96 166.87 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.229 0.825 . . . . 24.72 113.229 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 8.9 p90 -156.03 149.14 24.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.365 1.066 . . . . 19.37 111.447 174.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.51 139.34 30.63 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.969 1.47 . . . . 26.5 114.969 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASP . . . . . 0.585 ' OD1' ' CG ' ' A' ' 81' ' ' ARG . 9.2 t70 -130.44 117.39 19.6 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.698 -1.251 . . . . 34.8 111.973 -179.261 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.4 m -78.66 -25.35 44.89 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 115.093 1.516 . . . . 41.56 115.093 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ARG . . . . . 0.654 ' NH1' ' O ' ' A' ' 383' ' ' HOH . 4.3 ptm180 -67.89 -41.05 83.36 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 117.477 -1.689 . . . . 46.94 108.605 179.777 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.47 -4.95 40.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 117.931 -1.033 . . . . 29.27 111.094 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.3 t30 53.8 58.29 5.24 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.709 1.204 . . . . 26.87 113.212 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.2 t -155.01 -170.2 3.42 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.533 -0.758 . . . . 27.03 112.055 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.72 126.32 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 103.778 -2.675 . . . . 18.52 103.778 176.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' TYR . . . . . 0.452 ' HE1' ' O ' ' A' ' 383' ' ' HOH . 78.7 m-85 -97.08 146.32 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.219 -0.592 . . . . 22.72 110.799 -179.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.75 141.24 12.49 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 106.816 -2.513 . . . . 13.92 106.816 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.1 mt -127.62 127.19 43.38 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 109.778 -0.453 . . . . 14.5 109.778 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.5 117.41 4.84 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 109.202 -1.559 . . . . 14.9 109.202 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -96.83 160.68 14.23 Favored 'General case' 0 C--O 1.204 -1.319 0 N-CA-C 113.907 1.077 . . . . 17.44 113.907 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 65.8 p -73.9 -22.38 59.73 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 121.197 -0.201 . . . . 23.0 110.7 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.9 p -152.97 157.19 40.21 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 118.72 -1.192 . . . . 29.46 111.71 -179.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -57.84 -34.82 70.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.566 -0.743 . . . . 46.46 111.464 178.6 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -60.85 -37.02 80.65 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.655 -1.218 . . . . 37.27 112.439 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -72.94 -38.73 66.68 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.647 0.61 . . . . 27.21 112.647 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.8 -45.73 88.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.141 -1.8 . . . . 16.75 106.141 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.5 t -57.17 -44.65 83.7 Favored 'General case' 0 C--O 1.251 1.146 0 N-CA-C 114.071 1.138 . . . . 31.45 114.071 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . 0.457 ' HE2' ' HE2' ' A' ' 102' ' ' LYS . 12.5 tptm -69.7 -39.4 76.91 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 115.344 -0.844 . . . . 39.4 109.936 -178.668 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -61.1 -44.19 97.74 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.924 -0.71 . . . . 19.2 112.087 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.91 76.14 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 114.82 -1.082 . . . . 23.02 111.076 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.16 -46.84 72.82 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.83 0.824 . . . . 37.63 110.296 179.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LYS . . . . . 0.457 ' HE2' ' HE2' ' A' ' 98' ' ' LYS . 72.4 mmtt -61.52 -38.59 87.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 32.93 110.072 178.628 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -54.42 -50.72 66.94 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.733 -0.84 . . . . 26.61 108.733 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 45.8 tp60 -58.37 -41.15 84.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.596 -0.729 . . . . 45.3 111.998 -177.971 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -57.79 -52.34 65.85 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 115.118 1.525 . . . . 47.29 115.118 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' PHE . . . . . 0.435 ' HB3' ' CG ' ' A' ' 45' ' ' TYR . 7.8 m-85 -76.02 -9.77 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.373 0.879 . . . . 39.25 113.373 -178.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -76.33 -38.74 55.51 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 105.3 -2.111 . . . . 42.9 105.3 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' HB2' ' O ' ' A' ' 327' ' ' HOH . 53.2 mt-10 -69.18 -39.87 78.45 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.623 -1.171 . . . . 51.19 111.239 -179.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 371' ' ' HOH . . . -61.59 -34.35 75.47 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.566 -1.272 . . . . 43.63 107.566 179.195 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.06 85.4 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.783 -0.644 . . . . 45.84 109.959 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ARG . . . . . 0.486 ' NH1' ' HA ' ' A' ' 108' ' ' GLU . 20.6 ttp-105 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 107.031 -1.47 . . . . 53.57 107.031 177.96 . . . . . . . . 1 1 . 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 . . . . . 0.612 ' O ' ' HD2' ' A' ' 42' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . 0.423 ' O ' ' NE ' ' A' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . 0.623 ' O ' ' HB2' ' A' ' 108' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . 0.815 ' O ' HG21 ' A' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . 0.561 ' O ' HG21 ' A' ' 70' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 371' ' ' HOH . . . . . 0.42 ' O ' ' HB2' ' A' ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 378' ' ' HOH . . . . . 0.671 ' O ' HG23 ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 382' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 383' ' ' HOH . . . . . 0.654 ' O ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 385' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 386' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 387' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 388' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 389' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 391' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 393' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 394' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 395' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 396' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 397' ' ' HOH . . . . . 0.424 ' O ' ' HG2' ' A' ' 93' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 398' ' ' HOH . . . . . 0.491 ' O ' ' HE3' ' A' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 399' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . 57.5 mtp . . . . . 0 N--CA 1.502 2.151 0 CA-C-O 121.329 0.585 . . . . 31.71 110.747 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -76.47 -35.79 40.74 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 110.666 -0.974 . . . . 29.49 110.666 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -127.76 113.67 16.29 Favored 'General case' 0 C--O 1.224 -0.277 0 N-CA-C 108.4 -0.963 . . . . 32.38 108.4 179.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -106.41 119.61 51.28 Favored Pre-proline 0 C--O 1.215 -0.717 0 N-CA-C 114.807 1.41 . . . . 30.76 114.807 -177.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_endo -71.24 132.03 20.24 Favored 'Trans proline' 0 C--O 1.214 -0.679 0 C-N-CA 122.061 1.84 . . . . 20.72 109.02 179.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.5 mm -119.44 -51.3 3.78 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.781 0 N-CA-C 114.812 1.412 . . . . 20.99 114.812 -176.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -148.76 139.89 23.12 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.923 -0.58 . . . . 23.01 110.542 -176.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . 0.487 ' HB3' ' O ' ' A' ' 378' ' ' HOH . 74.8 m -135.69 139.5 43.73 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 121.079 -0.248 . . . . 22.43 111.434 177.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' THR . . . . . 0.432 ' N ' ' O ' ' A' ' 378' ' ' HOH . 11.0 t -142.12 -175.38 4.4 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.981 0.913 . . . . 19.83 108.642 179.01 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.2 mmm180 -131.01 148.67 52.78 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 108.251 -1.018 . . . . 36.05 108.251 -179.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -170.03 162.6 9.12 Favored 'General case' 0 N--CA 1.448 -0.53 0 O-C-N 123.848 0.718 . . . . 14.3 109.531 179.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 29.2 m80 -88.18 139.35 30.59 Favored 'General case' 0 C--O 1.254 1.301 0 N-CA-C 102.293 -3.225 . . . . 19.07 102.293 173.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 98.5 t -108.09 142.8 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.776 0 CA-C-N 116.065 -0.516 . . . . 14.99 109.74 -175.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -139.49 162.23 35.57 Favored 'General case' 0 C--O 1.232 0.164 0 O-C-N 124.232 0.958 . . . . 20.89 109.335 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -134.74 148.5 50.28 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 105.787 -1.931 . . . . 25.65 105.787 172.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.4 tp -75.33 152.36 6.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 106.718 -1.586 . . . . 24.0 106.718 -179.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -65.15 128.1 93.47 Favored Pre-proline 0 C--O 1.243 0.716 0 N-CA-C 108.22 -1.03 . . . . 37.77 108.22 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -51.95 -42.31 58.91 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 124.672 3.581 . . . . 30.79 115.118 -179.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.547 ' ND2' HG23 ' A' ' 20' ' ' THR . 34.0 t30 -61.58 -51.27 69.25 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 119.383 3.105 . . . . 42.22 119.383 -177.267 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . 0.547 HG23 ' ND2' ' A' ' 19' ' ' ASN . 62.2 p -122.09 -4.89 8.99 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 113.915 1.08 . . . . 34.75 113.915 -179.13 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.3 mttt 57.22 38.4 28.78 Favored 'General case' 0 C--O 1.216 -0.688 0 O-C-N 123.982 0.801 . . . . 38.74 112.323 179.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.491 ' HE3' ' O ' ' A' ' 398' ' ' HOH . 53.7 mttp -129.14 -31.94 2.07 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 114.387 1.254 . . . . 39.44 114.387 178.384 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -90.02 133.25 34.93 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.539 0.57 . . . . 32.49 112.539 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -86.1 133.92 33.85 Favored 'General case' 0 CA--C 1.51 -0.591 0 C-N-CA 119.867 -0.733 . . . . 20.59 111.578 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -116.13 124.04 30.17 Favored Pre-proline 0 CA--C 1.542 0.643 0 N-CA-C 109.188 -0.671 . . . . 22.64 109.188 179.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -67.45 140.77 53.55 Favored 'Trans proline' 0 CA--C 1.512 -0.577 0 N-CA-C 109.864 -0.86 . . . . 21.13 109.864 -179.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . 0.815 HG21 ' O ' ' A' ' 332' ' ' HOH . 14.2 m -109.09 -24.32 11.23 Favored 'General case' 0 CA--C 1.513 -0.471 0 O-C-N 125.335 1.647 . . . . 27.37 112.023 179.465 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 99.1 p -123.68 148.36 46.59 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 105.545 -2.02 . . . . 28.34 105.545 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -88.38 -29.55 20.18 Favored 'General case' 0 C--O 1.245 0.834 0 CA-C-O 123.685 1.707 . . . . 46.08 107.687 178.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -111.49 169.83 8.54 Favored 'General case' 0 N--CA 1.439 -1.023 0 CA-C-N 114.552 -1.204 . . . . 37.85 108.299 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -74.47 143.93 44.43 Favored 'General case' 0 N--CA 1.43 -1.437 1 N-CA-C 98.597 -4.594 . . . . 27.81 98.597 173.505 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 16.5 m -130.79 170.31 19.84 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.919 0 N-CA-C 107.158 -1.423 . . . . 21.5 107.158 178.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . 0.671 HG23 ' O ' ' A' ' 378' ' ' HOH . 30.2 m -77.37 131.74 38.21 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 107.425 -1.324 . . . . 20.36 107.425 178.399 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 65.9 t -122.26 130.4 74.57 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.798 0 N-CA-C 103.303 -2.851 . . . . 17.94 103.303 176.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.7 m -136.56 161.69 35.2 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 117.222 2.304 . . . . 16.86 117.222 -176.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -107.91 128.76 54.91 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 105.791 -1.929 . . . . 19.67 105.791 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.44 ' CD1' HD12 ' A' ' 48' ' ' ILE . 71.4 m-85 -124.61 147.76 48.3 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 124.018 0.927 . . . . 22.33 109.297 177.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -107.51 118.35 36.5 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 106.567 -1.642 . . . . 39.91 106.567 176.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -96.83 107.25 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 105.104 -2.184 . . . . 31.81 105.104 -179.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 93.2 p -85.22 -12.11 53.35 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.327 -0.549 . . . . 37.24 111.999 -179.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 25.0 m -73.75 -27.56 61.23 Favored 'General case' 0 C--O 1.239 0.507 0 N-CA-C 107.333 -1.358 . . . . 43.07 107.333 179.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.842 ' HD2' HH21 ' A' ' 46' ' ' ARG . 64.3 mtt85 -118.83 -5.94 10.59 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.298 0.639 . . . . 47.75 112.375 179.457 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 59.22 55.59 4.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 N-CA-C 113.951 1.093 . . . . 43.43 113.951 178.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 315' ' ' HOH . 11.7 m -153.3 155.87 5.99 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.224 0 C-N-CA 123.508 0.723 . . . . 32.41 110.596 179.081 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.435 ' CG ' ' HB3' ' A' ' 106' ' ' PHE . 62.9 m-85 -91.93 146.73 23.51 Favored 'General case' 0 N--CA 1.466 0.333 0 N-CA-C 105.206 -2.146 . . . . 38.25 105.206 174.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.842 HH21 ' HD2' ' A' ' 42' ' ' ARG . 85.5 mtt-85 -131.07 145.29 51.96 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 108.492 -0.929 . . . . 42.85 108.492 -179.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.1 mt -102.17 118.55 49.18 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 N-CA-C 101.467 -3.531 . . . . 19.24 101.467 177.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 37' ' ' PHE . 92.0 mt -125.64 135.17 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 N-CA-C 113.582 0.956 . . . . 19.87 113.582 -175.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.7 t -148.26 133.25 18.16 Favored 'General case' 0 CA--C 1.529 0.16 0 O-C-N 124.104 0.878 . . . . 17.67 109.876 178.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD23 ' HA ' ' A' ' 55' ' ' ALA . 59.1 mt -121.07 145.42 47.8 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 107.284 -1.376 . . . . 27.63 107.284 178.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -112.41 106.56 15.09 Favored 'General case' 0 C--N 1.318 -0.775 1 N-CA-C 95.008 -5.923 . . . . 29.35 95.008 175.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 67.45 -126.46 25.09 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 105.964 -2.854 . . . . 35.07 105.964 -176.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 81.1 p -103.64 16.26 26.86 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 122.414 -0.462 . . . . 42.52 110.413 178.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -105.99 114.51 28.7 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 122.1 -0.375 . . . . 39.9 110.967 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.638 ' HA ' HD23 ' A' ' 50' ' ' LEU . . . -68.48 122.77 19.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 106.945 -1.502 . . . . 32.56 106.945 179.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 42.9 pt -110.4 -10.74 11.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 C-N-CA 119.603 -0.839 . . . . 23.29 110.811 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 6.5 mt -146.01 132.28 13.8 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.61 0 N-CA-C 107.021 -1.474 . . . . 20.46 107.021 174.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -151.37 67.13 0.9 Allowed 'General case' 0 C--O 1.222 -0.374 0 N-CA-C 103.167 -2.901 . . . . 36.21 103.167 174.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -97.32 116.28 29.23 Favored 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 116.719 2.118 . . . . 22.66 116.719 -175.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . 0.503 ' O ' ' HE1' ' A' ' 65' ' ' MSE . 15.5 m -76.17 131.62 39.47 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 108.74 -0.837 . . . . 26.38 108.74 179.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.7 mt -84.17 127.23 40.0 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.589 0 C-N-CA 119.268 -0.973 . . . . 24.39 109.804 -178.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . 0.453 ' HB ' ' HD2' ' A' ' 63' ' ' PRO . 52.3 p -114.58 157.98 41.39 Favored Pre-proline 0 N--CA 1.447 -0.585 0 CA-C-N 115.186 -0.916 . . . . 24.87 109.332 179.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HD2' ' HB ' ' A' ' 62' ' ' THR . 9.5 Cg_endo -48.75 -28.12 12.24 Favored 'Trans proline' 0 C--O 1.214 -0.723 0 N-CA-C 120.355 3.175 . . . . 26.35 120.355 -178.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 74.5 m-80 -113.24 7.39 17.79 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 118.775 -1.17 . . . . 25.83 113.782 -179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' MSE . . . . . 0.503 ' HE1' ' O ' ' A' ' 60' ' ' THR . 37.1 ttm -69.63 138.23 52.9 Favored 'General case' 0 CA--C 1.503 -0.86 0 N-CA-C 104.597 -2.371 . . . . 35.72 104.597 179.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 6.1 t -133.15 137.93 46.43 Favored 'General case' 0 N--CA 1.436 -1.168 0 N-CA-C 114.939 1.459 . . . . 27.94 114.939 -177.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -99.7 127.18 45.83 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.243 -1.021 . . . . 20.53 108.243 179.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 11.6 m -117.48 129.49 55.85 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.704 1.002 . . . . 26.11 113.704 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -79.46 133.49 36.52 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 106.333 -1.729 . . . . 35.25 106.333 177.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . 0.561 HG21 ' O ' ' A' ' 352' ' ' HOH . 6.3 m -108.05 -22.14 12.52 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 125.967 1.707 . . . . 29.96 112.96 -176.795 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.6 p -155.22 -173.66 4.65 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 101.965 -3.346 . . . . 21.05 101.965 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.527 ' O ' ' HA ' ' A' ' 93' ' ' GLU . 97.0 mm-40 -75.35 -7.34 53.73 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.085 -0.646 . . . . 42.71 111.049 178.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -133.41 -6.38 2.94 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 114.979 1.474 . . . . 31.21 114.979 -176.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -124.75 142.85 51.12 Favored 'General case' 0 N--CA 1.446 -0.645 0 C-N-CA 120.037 -0.665 . . . . 18.47 111.422 -177.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.93 163.49 28.61 Favored Glycine 0 C--O 1.223 -0.561 0 N-CA-C 110.827 -0.909 . . . . 16.09 110.827 178.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -142.96 166.87 23.45 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.229 0.825 . . . . 24.72 113.229 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 8.9 p90 -156.03 149.14 24.38 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 124.365 1.066 . . . . 19.37 111.447 174.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -89.51 139.34 30.63 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 114.969 1.47 . . . . 26.5 114.969 178.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.585 ' OD1' ' CG ' ' A' ' 81' ' ' ARG . 9.2 t70 -130.44 117.39 19.6 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 120.698 -1.251 . . . . 34.8 111.973 -179.261 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 17.4 m -78.66 -25.35 44.89 Favored 'General case' 0 C--O 1.244 0.802 0 N-CA-C 115.093 1.516 . . . . 41.56 115.093 -179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.654 ' NH1' ' O ' ' A' ' 383' ' ' HOH . 4.3 ptm180 -67.89 -41.05 83.36 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 117.477 -1.689 . . . . 46.94 108.605 179.777 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -96.47 -4.95 40.68 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 117.931 -1.033 . . . . 29.27 111.094 179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 49.3 t30 53.8 58.29 5.24 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.709 1.204 . . . . 26.87 113.212 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 15.2 t -155.01 -170.2 3.42 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 115.533 -0.758 . . . . 27.03 112.055 -178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 92.6 t -134.72 126.32 47.57 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 103.778 -2.675 . . . . 18.52 103.778 176.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.452 ' HE1' ' O ' ' A' ' 383' ' ' HOH . 78.7 m-85 -97.08 146.32 25.13 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.219 -0.592 . . . . 22.72 110.799 -179.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -130.75 141.24 12.49 Favored Glycine 0 N--CA 1.442 -0.935 0 N-CA-C 106.816 -2.513 . . . . 13.92 106.816 178.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 56.1 mt -127.62 127.19 43.38 Favored 'General case' 0 CA--C 1.502 -0.896 0 N-CA-C 109.778 -0.453 . . . . 14.5 109.778 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -109.5 117.41 4.84 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 109.202 -1.559 . . . . 14.9 109.202 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -96.83 160.68 14.23 Favored 'General case' 0 C--O 1.204 -1.319 0 N-CA-C 113.907 1.077 . . . . 17.44 113.907 -179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 65.8 p -73.9 -22.38 59.73 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 121.197 -0.201 . . . . 23.0 110.7 -179.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.9 p -152.97 157.19 40.21 Favored 'General case' 0 CA--C 1.509 -0.617 0 C-N-CA 118.72 -1.192 . . . . 29.46 111.71 -179.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.527 ' HA ' ' O ' ' A' ' 72' ' ' GLN . 0.0 OUTLIER -57.84 -34.82 70.12 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.566 -0.743 . . . . 46.46 111.464 178.6 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 57.0 m-70 -60.85 -37.02 80.65 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 118.655 -1.218 . . . . 37.27 112.439 179.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -72.94 -38.73 66.68 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.647 0.61 . . . . 27.21 112.647 178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.8 -45.73 88.36 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 106.141 -1.8 . . . . 16.75 106.141 177.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 48.5 t -57.17 -44.65 83.7 Favored 'General case' 0 C--O 1.251 1.146 0 N-CA-C 114.071 1.138 . . . . 31.45 114.071 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.457 ' HE2' ' HE2' ' A' ' 102' ' ' LYS . 12.5 tptm -69.7 -39.4 76.91 Favored 'General case' 0 C--O 1.21 -1.026 0 CA-C-N 115.344 -0.844 . . . . 39.4 109.936 -178.668 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -61.1 -44.19 97.74 Favored 'General case' 0 C--O 1.246 0.874 0 C-N-CA 119.924 -0.71 . . . . 19.2 112.087 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.91 76.14 Favored 'General case' 0 CA--C 1.549 0.914 0 CA-C-N 114.82 -1.082 . . . . 23.02 111.076 179.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -67.16 -46.84 72.82 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-O 121.83 0.824 . . . . 37.63 110.296 179.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.457 ' HE2' ' HE2' ' A' ' 98' ' ' LYS . 72.4 mmtt -61.52 -38.59 87.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 32.93 110.072 178.628 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -54.42 -50.72 66.94 Favored 'General case' 0 C--O 1.233 0.208 0 N-CA-C 108.733 -0.84 . . . . 26.61 108.733 179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.451 ' O ' ' HG3' ' A' ' 108' ' ' GLU . 6.0 tp-100 -58.37 -41.15 84.12 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.596 -0.729 . . . . 45.3 111.998 -177.971 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -57.79 -52.34 65.85 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 115.118 1.525 . . . . 47.29 115.118 179.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' PHE . . . . . 0.435 ' HB3' ' CG ' ' A' ' 45' ' ' TYR . 7.8 m-85 -76.02 -9.77 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.373 0.879 . . . . 39.25 113.373 -178.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -76.33 -38.74 55.51 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 105.3 -2.111 . . . . 42.9 105.3 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.623 ' HB2' ' O ' ' A' ' 327' ' ' HOH . 53.2 mt-10 -69.18 -39.87 78.45 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-N 114.623 -1.171 . . . . 51.19 111.239 -179.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 371' ' ' HOH . . . -61.59 -34.35 75.47 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 107.566 -1.272 . . . . 43.63 107.566 179.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.25 -46.06 85.4 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.783 -0.644 . . . . 45.84 109.959 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.486 ' NH1' ' HA ' ' A' ' 108' ' ' GLU . 20.6 ttp-105 . . . . . 0 C--O 1.252 1.218 0 N-CA-C 107.031 -1.47 . . . . 53.57 107.031 177.96 . . . . . . . . 1 1 . 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 . . . . . 0.612 ' O ' ' HD2' ' A' ' 42' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . 0.423 ' O ' ' NE ' ' A' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . 0.623 ' O ' ' HB2' ' A' ' 108' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . 0.815 ' O ' HG21 ' A' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 349' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 350' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 351' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . 0.561 ' O ' HG21 ' A' ' 70' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 355' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 358' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 359' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 364' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 365' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 367' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 371' ' ' HOH . . . . . 0.42 ' O ' ' HB2' ' A' ' 109' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 375' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 376' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 377' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 378' ' ' HOH . . . . . 0.671 ' O ' HG23 ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 379' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 380' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 382' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 383' ' ' HOH . . . . . 0.654 ' O ' ' NH1' ' A' ' 81' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 385' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 386' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 387' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 388' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 389' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 391' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 393' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 394' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 395' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 396' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 397' ' ' HOH . . . . . 0.424 ' O ' ' HG2' ' A' ' 93' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 398' ' ' HOH . . . . . 0.491 ' O ' ' HE3' ' A' ' 22' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 399' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 400' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_