data_1wtw_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 1wtw _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 ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.33 0 C4'-C3'-O3' 106.764 -1.607 . . . . 44.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.409 -1.68 0 C4'-C3'-C2' 105.728 2.528 . . . . 45.82 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.41 -1.883 0 C5'-C4'-O4' 105.505 -2.435 . . . . 52.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.4 -2.505 0 O4'-C1'-C2' 103.973 -1.934 . . . . 39.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.413 -1.687 0 O3'-P-O5' 100.961 -1.599 . . . . 46.58 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.142 0 C5'-C4'-C3' 112.731 -1.313 . . . . 48.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.414 -1.626 0 N19-C1'-C2' 118.139 2.462 . . . . 49.39 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.402 -2.391 0 C5'-C4'-O4' 105.972 -2.142 . . . . 50.84 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.524 0.567 0 N19-C1'-C2' 117.662 2.164 . . . . 58.63 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.412 -1.482 0 C3'-C2'-C1' 98.443 -3.041 . . . . 60.19 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.578 0 N19-C1'-C2' 117.006 1.754 . . . . 57.67 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 112' ' ' ' DA' . . . . . 0.424 " C2'" " C5'" ' C' ' 113' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 C4'-C3'-O3' 105.779 -2.055 . . . . 53.08 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 113' ' ' ' DT' . . . . . 0.441 " C4'" ' NZ ' ' A' ' 9' ' ' LYS . . . . . . . . 0 C5'--C4' 1.495 -2.023 0 C5'-C4'-O4' 105.311 -2.556 . . . . 53.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.414 -1.628 0 C4'-C3'-C2' 105.405 2.205 . . . . 49.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.593 -1.181 0 O4'-C1'-C2' 104.368 -1.574 . . . . 44.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.41 -1.598 0 C4'-C3'-O3' 104.507 -2.633 . . . . 54.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 107.125 -1.435 . . . . 58.7 107.125 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.94 128.71 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-N 114.072 -1.422 . . . . 54.76 108.48 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -96.78 140.48 31.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.234 -0.894 . . . . 59.86 113.043 -177.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 62.2 t -112.98 128.25 69.82 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 N-CA-C 107.213 -1.402 . . . . 48.5 107.213 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . 0.523 ' NZ ' ' OE1' ' A' ' 14' ' ' GLU . 55.1 mmtt -102.72 140.01 37.55 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.135 -0.691 . . . . 67.68 109.135 179.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -160.0 168.43 25.66 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.508 0.67 . . . . 55.02 109.61 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -121.7 105.07 10.07 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 119.625 -0.83 . . . . 75.62 109.695 -179.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -113.56 117.85 32.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.726 -1.213 . . . . 82.82 107.726 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 11' ' ' GLU . 11.3 mptt 62.33 67.8 0.7 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.633 -0.712 . . . . 83.81 111.772 -179.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.03 -42.32 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 116.419 1.328 . . . . 79.04 116.419 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 9' ' ' LYS . 33.6 tt0 -71.41 155.51 40.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.106 0.78 . . . . 82.47 113.106 -179.284 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -96.45 142.85 28.05 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 105.362 -2.088 . . . . 76.97 105.362 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -145.54 156.81 43.94 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.147 -1.021 . . . . 65.61 111.586 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' OE1' ' NZ ' ' A' ' 5' ' ' LYS . 25.1 mt-10 -137.48 139.55 40.65 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 107.044 -1.465 . . . . 70.42 107.044 178.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.5 p -139.66 138.52 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.99 -1.115 . . . . 53.69 107.99 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . 0.621 ' OD1' ' OG ' ' A' ' 18' ' ' SER . 17.1 t70 -74.82 134.98 41.65 Favored 'General case' 0 C--O 1.253 1.242 0 N-CA-C 105.726 -1.953 . . . . 58.18 105.726 178.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.0 p -52.29 -25.17 8.79 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 114.904 -1.044 . . . . 43.94 109.622 -178.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' SER . . . . . 0.621 ' OG ' ' OD1' ' A' ' 16' ' ' ASP . 57.3 p -64.41 -17.46 63.8 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.565 0.58 . . . . 44.13 112.565 179.39 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -100.46 1.94 41.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 119.314 -0.954 . . . . 58.9 113.374 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mt -78.45 121.93 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 112.771 0.656 . . . . 41.47 112.771 -179.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -87.75 -32.34 19.18 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 116.192 1.923 . . . . 54.33 116.192 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -153.87 145.66 23.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.669 -0.412 . . . . 49.34 111.327 -176.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.47 143.28 34.54 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-O 121.706 0.765 . . . . 36.27 112.728 -178.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.6 p90 -159.72 165.08 33.28 Favored 'General case' 0 CA--C 1.496 -1.122 0 C-N-CA 118.44 -1.304 . . . . 36.0 107.707 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -112.51 146.8 37.83 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 124.359 1.037 . . . . 50.71 111.978 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.08 103.36 4.6 Favored 'General case' 0 N--CA 1.476 0.842 1 N-CA-C 99.856 -4.128 . . . . 39.31 99.856 175.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.89 -122.45 27.73 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 108.09 -2.004 . . . . 40.4 108.09 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 10.9 mtpp -103.32 14.18 32.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.395 -1.062 . . . . 44.59 113.311 -179.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.2 ttp -100.18 126.88 46.51 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.241 0.617 . . . . 37.42 112.153 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -96.74 116.47 38.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 105.259 -2.126 . . . . 33.37 105.259 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.0 t -105.71 152.53 23.05 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.246 -0.888 . . . . 33.99 110.872 -176.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -165.04 161.4 19.74 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 114.06 1.133 . . . . 35.12 114.06 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.1 p -118.05 153.45 33.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 102.907 -2.997 . . . . 38.09 102.907 173.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -141.17 171.26 14.32 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.656 -0.868 . . . . 47.51 108.656 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -82.33 102.3 11.13 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.986 -0.746 . . . . 56.81 108.986 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -92.26 87.17 5.97 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 105.136 -2.172 . . . . 61.52 105.136 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.2 t30 33.78 64.05 0.36 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.271 -0.877 . . . . 70.87 112.295 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.35 -28.25 11.45 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 118.07 1.988 . . . . 66.21 118.07 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -116.22 175.44 5.55 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 117.651 0.725 . . . . 66.36 110.652 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.4 m -86.78 111.07 20.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 117.03 2.233 . . . . 58.24 117.03 -178.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.47 152.21 20.29 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 107.71 -2.156 . . . . 51.66 107.71 177.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -123.46 146.61 47.91 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.329 0.652 . . . . 49.34 111.544 -178.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.24 167.74 36.26 Favored Glycine 0 C--O 1.225 -0.458 0 N-CA-C 110.23 -1.148 . . . . 37.94 110.23 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.97 151.55 23.63 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.965 0.383 . . . . 37.38 110.709 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.6 m -143.32 162.06 16.84 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.123 0 C-N-CA 119.202 -0.999 . . . . 35.66 109.002 177.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 t -69.55 149.42 48.22 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 104.456 -2.424 . . . . 40.65 104.456 176.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -61.59 -22.86 65.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.781 -1.562 . . . . 53.79 106.781 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -68.05 -24.76 65.11 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 122.739 0.416 . . . . 62.39 110.967 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -110.46 11.19 23.18 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 112.244 0.461 . . . . 44.62 112.244 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -82.64 123.3 78.59 Favored Pre-proline 0 C--O 1.239 0.519 0 C-N-CA 119.813 -0.755 . . . . 38.99 112.361 -178.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_endo -56.78 144.09 88.45 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 N-CA-C 107.717 -1.686 . . . . 36.31 107.717 179.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -44.33 -43.23 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.786 -0.766 . . . . 50.59 111.658 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -39.7 78.46 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.724 -1.125 . . . . 48.2 111.58 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.83 -36.97 76.04 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 116.653 -2.019 . . . . 32.09 108.346 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 89.2 mt -63.28 -28.65 70.17 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 120.787 -0.365 . . . . 32.01 111.228 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -74.37 -34.11 63.26 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.548 -0.908 . . . . 41.33 108.548 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.3 mtp -69.85 -34.92 74.26 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.369 -0.932 . . . . 41.16 109.893 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.63 -49.57 65.84 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.759 -1.2 . . . . 32.01 107.759 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.44 73.64 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.674 -0.861 . . . . 35.69 108.674 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.8 ttt-85 -64.23 -36.95 85.76 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 118.992 -1.083 . . . . 60.97 111.35 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.06 72.88 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 108.172 -1.047 . . . . 35.34 108.172 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -68.35 -17.83 64.34 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 115.313 1.598 . . . . 55.23 115.313 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -82.93 -23.57 33.42 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.155 -1.384 . . . . 43.41 108.131 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -47.71 141.55 5.34 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 118.839 2.903 . . . . 63.51 118.839 -177.761 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' O ' ' OXT' ' A' ' 66' ' ' LYS . 2.3 mmtp -125.66 -33.73 2.72 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.652 0.781 . . . . 54.12 111.927 179.17 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . 0.522 ' OXT' ' O ' ' A' ' 65' ' ' LYS . 30.2 mtmm . . . . . 0 C--O 1.251 1.138 0 N-CA-C 113.817 1.043 . . . . 60.43 113.817 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.33 0 C4'-C3'-O3' 106.764 -1.607 . . . . 44.009999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ' DC' . . . . . 0.512 H2'' " H5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.409 -1.68 0 C4'-C3'-C2' 105.728 2.528 . . . . 45.82 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ' DG' . . . . . 0.512 " H5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.41 -1.883 0 C5'-C4'-O4' 105.505 -2.435 . . . . 52.859999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.4 -2.505 0 O4'-C1'-C2' 103.973 -1.934 . . . . 39.539999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ' DT' . . . . . 0.528 " H2'" ' O ' ' B' ' 220' ' ' HOH . . . . . . . . 0 O5'--C5' 1.413 -1.687 0 O3'-P-O5' 100.961 -1.599 . . . . 46.579999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.142 0 C5'-C4'-C3' 112.731 -1.313 . . . . 48.640000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ' DG' . . . . . 0.952 H2'' H5'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.414 -1.626 0 N19-C1'-C2' 118.139 2.462 . . . . 49.390000000000001 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ' DC' . . . . . 0.952 H5'' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.402 -2.391 0 C5'-C4'-O4' 105.972 -2.142 . . . . 50.840000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.524 0.567 0 N19-C1'-C2' 117.662 2.164 . . . . 58.630000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.412 -1.482 0 C3'-C2'-C1' 98.443 -3.041 . . . . 60.189999999999998 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.578 0 N19-C1'-C2' 117.006 1.754 . . . . 57.670000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 112' ' ' ' DA' . . . . . 0.915 H2'' " H5'" ' C' ' 113' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 C4'-C3'-O3' 105.779 -2.055 . . . . 53.079999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 113' ' ' ' DT' . . . . . 0.915 " H5'" H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.495 -2.023 0 C5'-C4'-O4' 105.311 -2.556 . . . . 53.009999999999998 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 114' ' ' ' DC' . . . . . 0.403 ' H6 ' " H2'" ' C' ' 114' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.414 -1.628 0 C4'-C3'-C2' 105.405 2.205 . . . . 49.539999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.593 -1.181 0 O4'-C1'-C2' 104.368 -1.574 . . . . 44.460000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.41 -1.598 0 C4'-C3'-O3' 104.507 -2.633 . . . . 54.850000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 107.125 -1.435 . . . . 58.700000000000003 107.125 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.94 128.71 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-N 114.072 -1.422 . . . . 54.759999999999998 108.48 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . 0.661 ' CD ' ' HZ3' ' A' ' 5' ' ' LYS . 7.9 ttmm -96.78 140.48 31.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.234 -0.894 . . . . 59.859999999999999 113.043 -177.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . 0.485 HG22 ' HG3' ' A' ' 51' ' ' PRO . 62.2 t -112.98 128.25 69.82 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 N-CA-C 107.213 -1.402 . . . . 48.5 107.213 177.102 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.906 ' HD3' ' HG2' ' A' ' 14' ' ' GLU . 55.1 mmtt -102.72 140.01 37.55 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.135 -0.691 . . . . 67.680000000000007 109.135 179.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -160.0 168.43 25.66 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.508 0.67 . . . . 55.020000000000003 109.61 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 34.3 ttmt -121.7 105.07 10.07 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 119.625 -0.83 . . . . 75.620000000000005 109.695 -179.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -113.56 117.85 32.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.726 -1.213 . . . . 82.819999999999993 107.726 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . 0.787 ' HZ2' " H4'" ' C' ' 113' ' ' ' DT' . 11.3 mptt 62.33 67.8 0.7 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.633 -0.712 . . . . 83.810000000000002 111.772 -179.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.03 -42.32 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 116.419 1.328 . . . . 79.040000000000006 116.419 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 33.6 tt0 -71.41 155.51 40.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.106 0.78 . . . . 82.469999999999999 113.106 -179.284 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -96.45 142.85 28.05 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 105.362 -2.088 . . . . 76.969999999999999 105.362 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -145.54 156.81 43.94 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.147 -1.021 . . . . 65.609999999999999 111.586 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . 0.906 ' HG2' ' HD3' ' A' ' 5' ' ' LYS . 25.1 mt-10 -137.48 139.55 40.65 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 107.044 -1.465 . . . . 70.420000000000002 107.044 178.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.5 p -139.66 138.52 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.99 -1.115 . . . . 53.689999999999998 107.99 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . 0.56 ' OD1' ' OG ' ' A' ' 18' ' ' SER . 17.1 t70 -74.82 134.98 41.65 Favored 'General case' 0 C--O 1.253 1.242 0 N-CA-C 105.726 -1.953 . . . . 58.18 105.726 178.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.0 p -52.29 -25.17 8.79 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 114.904 -1.044 . . . . 43.939999999999998 109.622 -178.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' SER . . . . . 0.56 ' OG ' ' OD1' ' A' ' 16' ' ' ASP . 57.3 p -64.41 -17.46 63.8 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.565 0.58 . . . . 44.130000000000003 112.565 179.39 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -100.46 1.94 41.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 119.314 -0.954 . . . . 58.899999999999999 113.374 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mt -78.45 121.93 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 112.771 0.656 . . . . 41.469999999999999 112.771 -179.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -87.75 -32.34 19.18 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 116.192 1.923 . . . . 54.329999999999998 116.192 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -153.87 145.66 23.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.669 -0.412 . . . . 49.340000000000003 111.327 -176.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.47 143.28 34.54 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-O 121.706 0.765 . . . . 36.270000000000003 112.728 -178.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' TRP . . . . . 0.401 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 38.6 p90 -159.72 165.08 33.28 Favored 'General case' 0 CA--C 1.496 -1.122 0 C-N-CA 118.44 -1.304 . . . . 36.0 107.707 179.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -112.51 146.8 37.83 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 124.359 1.037 . . . . 50.710000000000001 111.978 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.08 103.36 4.6 Favored 'General case' 0 N--CA 1.476 0.842 1 N-CA-C 99.856 -4.128 . . . . 39.310000000000002 99.856 175.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.89 -122.45 27.73 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 108.09 -2.004 . . . . 40.399999999999999 108.09 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HE3' ' OE1' ' A' ' 47' ' ' GLU . 10.9 mtpp -103.32 14.18 32.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.395 -1.062 . . . . 44.590000000000003 113.311 -179.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.2 ttp -100.18 126.88 46.51 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.241 0.617 . . . . 37.420000000000002 112.153 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -96.74 116.47 38.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 105.259 -2.126 . . . . 33.369999999999997 105.259 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . 0.401 ' HB3' ' CE2' ' A' ' 24' ' ' TRP . 6.0 t -105.71 152.53 23.05 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.246 -0.888 . . . . 33.990000000000002 110.872 -176.851 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -165.04 161.4 19.74 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 114.06 1.133 . . . . 35.119999999999997 114.06 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.1 p -118.05 153.45 33.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 102.907 -2.997 . . . . 38.090000000000003 102.907 173.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -141.17 171.26 14.32 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.656 -0.868 . . . . 47.509999999999998 108.656 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -82.33 102.3 11.13 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.986 -0.746 . . . . 56.810000000000002 108.986 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -92.26 87.17 5.97 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 105.136 -2.172 . . . . 61.520000000000003 105.136 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.2 t30 33.78 64.05 0.36 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.271 -0.877 . . . . 70.870000000000005 112.295 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.35 -28.25 11.45 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 118.07 1.988 . . . . 66.209999999999994 118.07 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -116.22 175.44 5.55 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 117.651 0.725 . . . . 66.359999999999999 110.652 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.4 m -86.78 111.07 20.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 117.03 2.233 . . . . 58.240000000000002 117.03 -178.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.47 152.21 20.29 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 107.71 -2.156 . . . . 51.659999999999997 107.71 177.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -123.46 146.61 47.91 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.329 0.652 . . . . 49.340000000000003 111.544 -178.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.24 167.74 36.26 Favored Glycine 0 C--O 1.225 -0.458 0 N-CA-C 110.23 -1.148 . . . . 37.939999999999998 110.23 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.97 151.55 23.63 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.965 0.383 . . . . 37.380000000000003 110.709 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.6 m -143.32 162.06 16.84 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.123 0 C-N-CA 119.202 -0.999 . . . . 35.659999999999997 109.002 177.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 t -69.55 149.42 48.22 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 104.456 -2.424 . . . . 40.649999999999999 104.456 176.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . 0.555 ' OE1' ' HE3' ' A' ' 28' ' ' LYS . 21.8 pt-20 -61.59 -22.86 65.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.781 -1.562 . . . . 53.789999999999999 106.781 177.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -68.05 -24.76 65.11 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 122.739 0.416 . . . . 62.390000000000001 110.967 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -110.46 11.19 23.18 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 112.244 0.461 . . . . 44.619999999999997 112.244 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -82.64 123.3 78.59 Favored Pre-proline 0 C--O 1.239 0.519 0 C-N-CA 119.813 -0.755 . . . . 38.990000000000002 112.361 -178.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PRO . . . . . 0.485 ' HG3' HG22 ' A' ' 4' ' ' VAL . 34.9 Cg_endo -56.78 144.09 88.45 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 N-CA-C 107.717 -1.686 . . . . 36.310000000000002 107.717 179.52 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -44.33 -43.23 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.786 -0.766 . . . . 50.590000000000003 111.658 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -39.7 78.46 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.724 -1.125 . . . . 48.200000000000003 111.58 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.83 -36.97 76.04 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 116.653 -2.019 . . . . 32.090000000000003 108.346 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 50' ' ' ALA . 89.2 mt -63.28 -28.65 70.17 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 120.787 -0.365 . . . . 32.009999999999998 111.228 179.487 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -74.37 -34.11 63.26 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.548 -0.908 . . . . 41.329999999999998 108.548 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.3 mtp -69.85 -34.92 74.26 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.369 -0.932 . . . . 41.159999999999997 109.893 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.63 -49.57 65.84 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.759 -1.2 . . . . 32.009999999999998 107.759 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.44 73.64 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.674 -0.861 . . . . 35.689999999999998 108.674 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' A' ' 60' ' ' ARG . 7.8 ttt-85 -64.23 -36.95 85.76 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 118.992 -1.083 . . . . 60.969999999999999 111.35 178.18 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.06 72.88 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 108.172 -1.047 . . . . 35.340000000000003 108.172 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -68.35 -17.83 64.34 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 115.313 1.598 . . . . 55.229999999999997 115.313 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -82.93 -23.57 33.42 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.155 -1.384 . . . . 43.409999999999997 108.131 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . 0.607 ' HG3' ' HG3' ' A' ' 66' ' ' LYS . 4.7 tp10 -47.71 141.55 5.34 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 118.839 2.903 . . . . 63.509999999999998 118.839 -177.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' O ' ' OXT' ' A' ' 66' ' ' LYS . 2.3 mmtp -125.66 -33.73 2.72 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.652 0.781 . . . . 54.119999999999997 111.927 179.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . 0.607 ' HG3' ' HG3' ' A' ' 64' ' ' GLU . 30.2 mtmm . . . . . 0 C--O 1.251 1.138 0 N-CA-C 113.817 1.043 . . . . 60.43 113.817 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 220' ' ' HOH . . . . . 0.528 ' O ' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.419 -1.33 0 C4'-C3'-O3' 106.764 -1.607 . . . . 44.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ' DC' . . . . . 0.512 H2'' " H5'" ' B' ' 103' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.409 -1.68 0 C4'-C3'-C2' 105.728 2.528 . . . . 45.82 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ' DG' . . . . . 0.512 " H5'" H2'' ' B' ' 102' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.41 -1.883 0 C5'-C4'-O4' 105.505 -2.435 . . . . 52.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.4 -2.505 0 O4'-C1'-C2' 103.973 -1.934 . . . . 39.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ' DT' . . . . . 0.528 " H2'" ' O ' ' B' ' 220' ' ' HOH . . . . . . . . 0 O5'--C5' 1.413 -1.687 0 O3'-P-O5' 100.961 -1.599 . . . . 46.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.142 0 C5'-C4'-C3' 112.731 -1.313 . . . . 48.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.952 H2'' H5'' ' B' ' 108' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.414 -1.626 0 N19-C1'-C2' 118.139 2.462 . . . . 49.39 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ' DC' . . . . . 0.952 H5'' H2'' ' B' ' 107' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.402 -2.391 0 C5'-C4'-O4' 105.972 -2.142 . . . . 50.84 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.524 0.567 0 N19-C1'-C2' 117.662 2.164 . . . . 58.63 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.412 -1.482 0 C3'-C2'-C1' 98.443 -3.041 . . . . 60.19 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.415 -1.578 0 N19-C1'-C2' 117.006 1.754 . . . . 57.67 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 112' ' ' ' DA' . . . . . 0.915 H2'' " H5'" ' C' ' 113' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 C4'-C3'-O3' 105.779 -2.055 . . . . 53.08 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 113' ' ' ' DT' . . . . . 0.915 " H5'" H2'' ' C' ' 112' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.495 -2.023 0 C5'-C4'-O4' 105.311 -2.556 . . . . 53.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 114' ' ' ' DC' . . . . . 0.403 ' H6 ' " H2'" ' C' ' 114' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.414 -1.628 0 C4'-C3'-C2' 105.405 2.205 . . . . 49.54 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 115' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.593 -1.181 0 O4'-C1'-C2' 104.368 -1.574 . . . . 44.46 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 116' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.41 -1.598 0 C4'-C3'-O3' 104.507 -2.633 . . . . 54.85 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttp . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 107.125 -1.435 . . . . 58.7 107.125 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 59.9 t -113.94 128.71 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.757 0 CA-C-N 114.072 -1.422 . . . . 54.76 108.48 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.661 ' CD ' ' HZ3' ' A' ' 5' ' ' LYS . 7.9 ttmm -96.78 140.48 31.29 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.234 -0.894 . . . . 59.86 113.043 -177.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.485 HG22 ' HG3' ' A' ' 51' ' ' PRO . 62.2 t -112.98 128.25 69.82 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.583 0 N-CA-C 107.213 -1.402 . . . . 48.5 107.213 177.102 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.906 ' HD3' ' HG2' ' A' ' 14' ' ' GLU . 55.1 mmtt -102.72 140.01 37.55 Favored 'General case' 0 C--O 1.221 -0.431 0 N-CA-C 109.135 -0.691 . . . . 67.68 109.135 179.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -160.0 168.43 25.66 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.508 0.67 . . . . 55.02 109.61 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 11' ' ' GLU . 34.3 ttmt -121.7 105.07 10.07 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 119.625 -0.83 . . . . 75.62 109.695 -179.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -113.56 117.85 32.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.726 -1.213 . . . . 82.82 107.726 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.787 ' HZ2' " H4'" ' C' ' 113' ' ' ' DT' . 11.3 mptt 62.33 67.8 0.7 Allowed 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.633 -0.712 . . . . 83.81 111.772 -179.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 62.03 -42.32 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 116.419 1.328 . . . . 79.04 116.419 179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 33.6 tt0 -71.41 155.51 40.54 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 113.106 0.78 . . . . 82.47 113.106 -179.284 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -96.45 142.85 28.05 Favored 'General case' 0 CA--C 1.508 -0.639 0 N-CA-C 105.362 -2.088 . . . . 76.97 105.362 177.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -145.54 156.81 43.94 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.147 -1.021 . . . . 65.61 111.586 -178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.906 ' HG2' ' HD3' ' A' ' 5' ' ' LYS . 25.1 mt-10 -137.48 139.55 40.65 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 107.044 -1.465 . . . . 70.42 107.044 178.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.5 p -139.66 138.52 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.589 0 N-CA-C 107.99 -1.115 . . . . 53.69 107.99 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.56 ' OD1' ' OG ' ' A' ' 18' ' ' SER . 17.1 t70 -74.82 134.98 41.65 Favored 'General case' 0 C--O 1.253 1.242 0 N-CA-C 105.726 -1.953 . . . . 58.18 105.726 178.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 41.0 p -52.29 -25.17 8.79 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 114.904 -1.044 . . . . 43.94 109.622 -178.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' SER . . . . . 0.56 ' OG ' ' OD1' ' A' ' 16' ' ' ASP . 57.3 p -64.41 -17.46 63.8 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 112.565 0.58 . . . . 44.13 112.565 179.39 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -100.46 1.94 41.67 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 119.314 -0.954 . . . . 58.9 113.374 179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.3 mt -78.45 121.93 32.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 N-CA-C 112.771 0.656 . . . . 41.47 112.771 -179.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.8 mttt -87.75 -32.34 19.18 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 116.192 1.923 . . . . 54.33 116.192 -178.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.1 tttt -153.87 145.66 23.43 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 120.669 -0.412 . . . . 49.34 111.327 -176.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.1 t -137.47 143.28 34.54 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.765 0 CA-C-O 121.706 0.765 . . . . 36.27 112.728 -178.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.401 ' CE2' ' HB3' ' A' ' 31' ' ' SER . 38.6 p90 -159.72 165.08 33.28 Favored 'General case' 0 CA--C 1.496 -1.122 0 C-N-CA 118.44 -1.304 . . . . 36.0 107.707 179.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 39.4 ttm-85 -112.51 146.8 37.83 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 124.359 1.037 . . . . 50.71 111.978 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -140.08 103.36 4.6 Favored 'General case' 0 N--CA 1.476 0.842 1 N-CA-C 99.856 -4.128 . . . . 39.31 99.856 175.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.89 -122.45 27.73 Favored Glycine 0 C--N 1.338 0.694 0 N-CA-C 108.09 -2.004 . . . . 40.4 108.09 -176.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.555 ' HE3' ' OE1' ' A' ' 47' ' ' GLU . 10.9 mtpp -103.32 14.18 32.11 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.395 -1.062 . . . . 44.59 113.311 -179.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 40.2 ttp -100.18 126.88 46.51 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.241 0.617 . . . . 37.42 112.153 179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.9 t -96.74 116.47 38.96 Favored 'Isoleucine or valine' 0 C--O 1.241 0.606 0 N-CA-C 105.259 -2.126 . . . . 33.37 105.259 178.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . 0.401 ' HB3' ' CE2' ' A' ' 24' ' ' TRP . 6.0 t -105.71 152.53 23.05 Favored 'General case' 0 C--O 1.241 0.634 0 CA-C-N 115.246 -0.888 . . . . 33.99 110.872 -176.851 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 31.7 p90 -165.04 161.4 19.74 Favored 'General case' 0 CA--C 1.499 -1.006 0 N-CA-C 114.06 1.133 . . . . 35.12 114.06 -178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 50.1 p -118.05 153.45 33.7 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 102.907 -2.997 . . . . 38.09 102.907 173.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -141.17 171.26 14.32 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.656 -0.868 . . . . 47.51 108.656 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -82.33 102.3 11.13 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 108.986 -0.746 . . . . 56.81 108.986 178.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -92.26 87.17 5.97 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 105.136 -2.172 . . . . 61.52 105.136 179.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.2 t30 33.78 64.05 0.36 Allowed 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.271 -0.877 . . . . 70.87 112.295 179.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 94.35 -28.25 11.45 Favored Glycine 0 N--CA 1.451 -0.337 0 N-CA-C 118.07 1.988 . . . . 66.21 118.07 178.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.3 pttt -116.22 175.44 5.55 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 117.651 0.725 . . . . 66.36 110.652 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.4 m -86.78 111.07 20.37 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 117.03 2.233 . . . . 58.24 117.03 -178.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -95.47 152.21 20.29 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 107.71 -2.156 . . . . 51.66 107.71 177.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -123.46 146.61 47.91 Favored 'General case' 0 C--O 1.219 -0.507 0 C-N-CA 123.329 0.652 . . . . 49.34 111.544 -178.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -161.24 167.74 36.26 Favored Glycine 0 C--O 1.225 -0.458 0 N-CA-C 110.23 -1.148 . . . . 37.94 110.23 179.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.97 151.55 23.63 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 116.965 0.383 . . . . 37.38 110.709 179.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.6 m -143.32 162.06 16.84 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.123 0 C-N-CA 119.202 -0.999 . . . . 35.66 109.002 177.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 12.9 t -69.55 149.42 48.22 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 104.456 -2.424 . . . . 40.65 104.456 176.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.555 ' OE1' ' HE3' ' A' ' 28' ' ' LYS . 21.8 pt-20 -61.59 -22.86 65.59 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 106.781 -1.562 . . . . 53.79 106.781 177.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -68.05 -24.76 65.11 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 122.739 0.416 . . . . 62.39 110.967 -179.834 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -110.46 11.19 23.18 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 112.244 0.461 . . . . 44.62 112.244 -179.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.464 ' HB3' HD21 ' A' ' 55' ' ' LEU . . . -82.64 123.3 78.59 Favored Pre-proline 0 C--O 1.239 0.519 0 C-N-CA 119.813 -0.755 . . . . 38.99 112.361 -178.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.485 ' HG3' HG22 ' A' ' 4' ' ' VAL . 34.9 Cg_endo -56.78 144.09 88.45 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 N-CA-C 107.717 -1.686 . . . . 36.31 107.717 179.52 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -44.33 -43.23 7.35 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 119.786 -0.766 . . . . 50.59 111.658 -179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.88 -39.7 78.46 Favored 'General case' 0 N--CA 1.445 -0.72 0 CA-C-N 114.724 -1.125 . . . . 48.2 111.58 -178.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 64.5 tp -69.83 -36.97 76.04 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 116.653 -2.019 . . . . 32.09 108.346 179.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.464 HD21 ' HB3' ' A' ' 50' ' ' ALA . 89.2 mt -63.28 -28.65 70.17 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 120.787 -0.365 . . . . 32.01 111.228 179.487 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -74.37 -34.11 63.26 Favored 'General case' 0 CA--C 1.51 -0.575 0 N-CA-C 108.548 -0.908 . . . . 41.33 108.548 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 64.3 mtp -69.85 -34.92 74.26 Favored 'General case' 0 N--CA 1.448 -0.539 0 C-N-CA 119.369 -0.932 . . . . 41.16 109.893 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 24.4 tp -66.63 -49.57 65.84 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 107.759 -1.2 . . . . 32.01 107.759 179.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -56.09 -40.44 73.64 Favored 'General case' 0 C--O 1.243 0.711 0 N-CA-C 108.674 -0.861 . . . . 35.69 108.674 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.43 ' NH1' ' HG2' ' A' ' 60' ' ' ARG . 7.8 ttt-85 -64.23 -36.95 85.76 Favored 'General case' 0 C--O 1.245 0.823 0 C-N-CA 118.992 -1.083 . . . . 60.97 111.35 178.18 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.93 -39.06 72.88 Favored 'General case' 0 C--O 1.212 -0.894 0 N-CA-C 108.172 -1.047 . . . . 35.34 108.172 -178.856 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -68.35 -17.83 64.34 Favored 'General case' 0 C--O 1.259 1.58 0 N-CA-C 115.313 1.598 . . . . 55.23 115.313 179.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.6 ttp180 -82.93 -23.57 33.42 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 114.155 -1.384 . . . . 43.41 108.131 179.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.607 ' HG3' ' HG3' ' A' ' 66' ' ' LYS . 4.7 tp10 -47.71 141.55 5.34 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 118.839 2.903 . . . . 63.51 118.839 -177.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.522 ' O ' ' OXT' ' A' ' 66' ' ' LYS . 2.3 mmtp -125.66 -33.73 2.72 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.652 0.781 . . . . 54.12 111.927 179.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.607 ' HG3' ' HG3' ' A' ' 64' ' ' GLU . 30.2 mtmm . . . . . 0 C--O 1.251 1.138 0 N-CA-C 113.817 1.043 . . . . 60.43 113.817 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 220' ' ' HOH . . . . . 0.528 ' O ' " H2'" ' B' ' 105' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 252' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 258' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_