data_6us6_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6us6 _Structure_validation_residue.Date_analyzed 2020-05-01 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 ' 10' ' ' MET . . . . . . . . . . . . . 45.0 ttm . . . . . 0 N--CA 1.514 2.726 0 CA-C-O 117.978 -1.011 . . . . 91.76 109.406 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.22 147.6 47.73 Favored Glycine 0 N--CA 1.482 1.729 0 CA-C-O 116.58 -2.233 . . . . 49.57 109.054 171.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -57.56 -42.1 82.35 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 119.74 1.77 . . . . 90.99 108.622 -172.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -108.5 19.37 19.87 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 116.676 -1.63 . . . . 34.47 111.002 -175.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -51.96 -49.67 62.74 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.299 0.954 . . . . 39.7 109.413 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.53 70.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.034 -1.46 . . . . 33.71 110.44 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.21 -39.49 92.35 Favored Glycine 0 N--CA 1.473 1.14 0 O-C-N 124.186 0.929 . . . . 24.47 110.861 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -81.48 -40.28 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 CA-C-O 118.269 -0.872 . . . . 23.08 110.12 -174.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.7 m -59.95 130.16 45.35 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 123.429 0.692 . . . . 21.34 109.957 -174.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.75 -152.65 21.36 Favored Glycine 0 C--O 1.267 2.186 0 O-C-N 125.006 1.441 . . . . 20.94 113.421 174.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.6 m -110.45 130.89 55.46 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 106.689 -1.597 . . . . 21.51 106.689 -169.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -129.3 149.15 51.21 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 124.83 1.252 . . . . 19.7 109.168 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -128.43 139.07 52.55 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.654 -1.157 . . . . 22.66 109.703 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -105.18 -175.37 2.77 Favored 'General case' 0 C--O 1.26 1.647 0 C-N-CA 119.248 -0.981 . . . . 19.24 109.979 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -71.09 -17.0 62.6 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.043 -1.435 . . . . 22.78 110.98 -173.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.15 -11.77 40.19 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 117.561 -1.209 . . . . 26.63 109.326 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.46 13.46 59.86 Favored Glycine 0 N--CA 1.485 1.903 0 O-C-N 124.691 1.245 . . . . 22.33 113.085 -173.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.1 m -73.09 156.84 38.3 Favored 'General case' 0 C--O 1.195 -1.783 0 CA-C-N 118.538 1.169 . . . . 18.66 109.844 173.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.7 m -123.77 130.3 52.42 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.536 1.534 . . . . 26.95 110.006 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -121.16 118.04 28.65 Favored 'General case' 0 C--O 1.267 2.002 0 N-CA-C 103.941 -2.614 . . . . 25.39 103.941 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.3 mt -113.86 119.5 61.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.277 0 N-CA-C 106.692 -1.596 . . . . 31.62 106.692 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -134.31 144.26 35.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 O-C-N 124.249 0.968 . . . . 23.75 110.582 -171.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.4 m -113.21 129.68 56.44 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 116.787 -1.578 . . . . 28.84 107.139 165.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.66 126.23 41.68 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 126.366 2.291 . . . . 25.03 107.873 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.53 159.95 26.36 Favored Glycine 0 C--O 1.204 -1.719 0 N-CA-C 112.189 -0.364 . . . . 24.33 112.189 175.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.57 -21.54 66.14 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 118.522 1.161 . . . . 37.03 111.619 -177.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -90.29 -2.96 58.06 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.27 2.628 . . . . 51.65 110.062 -173.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.88 6.9 51.61 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-O 117.767 -1.574 . . . . 23.87 112.233 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.4 148.18 27.45 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.649 1.725 . . . . 21.49 111.158 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.9 mt -124.56 127.58 47.62 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 106.509 -1.663 . . . . 19.95 106.509 167.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 319' ' ' HOH . 46.6 p -134.85 147.89 50.0 Favored 'General case' 0 C--O 1.26 1.65 0 N-CA-C 108.709 -0.848 . . . . 21.18 108.709 175.719 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.24 -155.23 26.33 Favored Glycine 0 CA--C 1.489 -1.566 0 C-N-CA 119.052 -1.547 . . . . 17.78 112.338 178.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -135.19 152.77 51.89 Favored 'General case' 0 C--O 1.267 1.978 0 O-C-N 125.73 1.488 . . . . 21.93 108.82 -176.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -128.82 138.47 52.08 Favored 'General case' 0 C--O 1.202 -1.396 0 O-C-N 124.776 1.298 . . . . 17.41 108.011 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -126.09 118.98 26.42 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 126.215 2.197 . . . . 36.62 106.59 172.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.3 t -91.04 130.25 36.96 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 118.928 -0.558 . . . . 20.38 110.865 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.69 -9.35 58.61 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 124.947 1.404 . . . . 22.36 111.588 174.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.36 162.69 38.58 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 CA-C-N 119.863 1.21 . . . . 19.49 109.929 -175.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.66 -168.29 41.58 Favored Glycine 0 C--O 1.285 3.323 0 O-C-N 124.62 1.2 . . . . 18.56 113.111 171.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -86.06 74.16 10.15 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.676 -1.231 . . . . 23.35 107.676 -174.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.76 143.57 21.88 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.128 0.571 . . . . 20.34 109.633 -169.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -150.29 143.4 24.89 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 124.978 1.423 . . . . 36.78 108.252 168.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t 67.99 -153.79 0.18 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.469 -1.241 . . . . 27.75 109.183 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -104.09 149.94 24.75 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 122.578 1.18 . . . . 63.72 110.122 -166.935 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -128.63 147.16 50.71 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 114.13 -1.395 . . . . 17.79 108.49 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.36 137.18 24.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.378 -0.601 . . . . 23.03 109.378 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 pp -124.61 154.11 41.2 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.157 0.98 . . . . 23.35 110.053 169.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -143.97 149.63 37.07 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.149 -1.387 . . . . 17.59 107.546 175.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -167.64 -162.58 19.81 Favored Glycine 0 CA--C 1.492 -1.347 0 O-C-N 124.888 1.367 . . . . 14.84 112.73 175.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -146.27 151.67 37.93 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 108.235 -1.024 . . . . 21.76 108.235 -174.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -139.95 161.23 38.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.108 -1.441 . . . . 22.1 107.108 174.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -76.85 108.47 9.91 Favored 'General case' 0 C--O 1.263 1.773 0 N-CA-C 106.671 -1.603 . . . . 18.36 106.671 174.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.2 p -83.55 -2.5 56.15 Favored 'General case' 0 C--O 1.26 1.645 0 CA-C-O 116.703 -1.618 . . . . 25.43 111.0 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.61 69.6 38.13 Favored Pre-proline 0 N--CA 1.487 1.399 0 CA-C-N 119.936 1.244 . . . . 20.67 109.438 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -70.96 167.18 26.73 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 121.08 1.187 . . . . 27.08 113.744 -176.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.36 151.65 43.4 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 107.231 -1.396 . . . . 34.01 107.231 178.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.8 p -102.25 20.22 17.22 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 118.479 -0.772 . . . . 47.66 110.061 -177.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -99.46 17.91 19.12 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 117.303 -1.332 . . . . 46.61 109.575 -173.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.92 3.18 90.6 Favored Glycine 0 N--CA 1.477 1.384 0 CA-C-O 117.812 -1.549 . . . . 35.97 113.469 -176.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.4 m -61.46 154.76 23.54 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.402 1.601 . . . . 33.06 109.727 169.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.83 172.68 42.87 Favored Glycine 0 C--O 1.239 0.443 0 CA-C-N 114.239 -1.346 . . . . 18.47 112.016 169.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 91.2 m -107.97 112.68 25.38 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 124.46 1.104 . . . . 19.85 108.213 -177.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 140.3 55.13 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 124.403 1.065 . . . . 15.94 110.081 -176.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -157.31 164.24 37.83 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 115.897 -0.592 . . . . 17.86 109.737 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.98 158.31 28.73 Favored Glycine 0 CA--C 1.479 -2.172 0 O-C-N 125.994 2.059 . . . . 15.22 111.725 172.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 31.1 p90 -153.89 162.84 40.9 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 124.157 0.563 . . . . 16.72 111.456 173.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.2 m -124.2 142.17 51.45 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.222 1.409 . . . . 15.39 109.626 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.58 127.64 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-N 113.937 -1.483 . . . . 17.24 107.084 164.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.84 131.73 41.85 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.621 1.201 . . . . 16.49 108.03 162.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -87.49 51.44 2.23 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 119.098 -0.477 . . . . 16.5 111.331 -166.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -123.1 129.77 51.9 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 105.897 -1.89 . . . . 35.8 105.897 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -144.66 -166.44 2.4 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 107.548 -1.279 . . . . 18.46 107.548 169.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -73.46 -11.5 60.48 Favored 'General case' 0 C--O 1.263 1.804 0 CA-C-O 116.885 -1.531 . . . . 51.54 110.383 -174.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -100.57 -39.17 8.04 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.388 0.995 . . . . 46.08 111.997 -174.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -149.75 156.84 42.53 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.471 0.482 . . . . 31.99 111.642 -169.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -136.19 113.33 10.54 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 125.488 1.743 . . . . 18.2 106.423 172.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.16 6.13 49.5 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 116.29 -1.814 . . . . 17.96 110.311 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 47.32 50.59 14.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.314 1.846 . . . . 18.57 110.152 176.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.0 p -152.57 164.84 36.84 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.63 -0.714 . . . . 17.86 110.969 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.88 136.71 28.94 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.234 -1.765 . . . . 17.17 106.234 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.5 m -111.88 138.87 47.91 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 106.542 -1.651 . . . . 14.13 106.542 172.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.6 p -118.35 131.37 56.31 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 108.245 -1.02 . . . . 15.56 108.245 167.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -105.55 134.33 48.84 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 125.608 1.817 . . . . 14.88 108.557 173.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -127.53 129.76 47.94 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 106.026 -1.842 . . . . 16.2 106.026 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.31 -158.83 20.76 Favored Glycine 0 C--O 1.245 0.835 0 C-N-CA 117.916 -2.087 . . . . 15.64 110.82 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -138.91 145.27 39.65 Favored 'General case' 0 C--O 1.188 -2.153 0 CA-C-N 113.113 -1.543 . . . . 23.34 110.963 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -91.26 128.79 37.22 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 126.468 2.355 . . . . 25.16 106.665 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 32.7 t -119.85 116.35 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 106.192 -1.781 . . . . 32.0 106.192 177.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.19 -176.21 51.37 Favored Glycine 0 N--CA 1.488 2.15 0 O-C-N 124.301 1.0 . . . . 36.36 112.382 -174.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.45 -173.75 20.6 Favored Glycine 0 N--CA 1.483 1.817 0 CA-C-O 118.432 -1.205 . . . . 46.26 111.611 175.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.9 62.95 Favored 'General case' 0 C--O 1.27 2.137 0 C-N-CA 123.797 0.839 . . . . 56.53 109.312 -164.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.63 65.42 0.74 Allowed 'General case' 0 C--O 1.271 2.234 0 O-C-N 125.466 1.729 . . . . 91.85 106.593 -176.693 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.61 144.12 33.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 124.871 1.357 . . . . 30.54 109.665 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -148.97 153.71 38.33 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.401 -0.592 . . . . 40.76 109.401 176.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.9 mt -114.32 118.58 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.82 -1.548 . . . . 22.22 106.82 164.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -101.84 121.11 41.47 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 105.643 -1.984 . . . . 27.23 105.643 -178.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 33.8 p -130.72 160.01 35.59 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 122.601 1.191 . . . . 16.53 112.015 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLN . . . . . 1.016 ' OE1' ' O ' ' A' ' 301' ' ' HOH . 45.7 mt-30 -119.72 150.55 40.19 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 105.879 -1.897 . . . . 15.82 105.879 159.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -135.61 155.99 49.57 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.839 -0.344 . . . . 15.18 111.643 -175.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.62 128.22 49.37 Favored 'General case' 0 C--O 1.201 -1.49 0 O-C-N 126.197 2.185 . . . . 17.85 107.622 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.9 tp -120.38 108.39 14.08 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 124.909 1.381 . . . . 25.0 107.392 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.5 m -104.05 133.43 49.01 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 115.155 -0.929 . . . . 15.7 108.511 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLU . . . . . 0.968 ' OE2' ' C ' ' A' ' 203' ' ' ACT . 34.3 tt0 -113.01 134.13 54.65 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.396 -1.705 . . . . 35.77 106.396 172.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.17 132.34 41.9 Favored Glycine 0 N--CA 1.469 0.846 0 N-CA-C 109.745 -1.342 . . . . 19.06 109.745 169.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.0 p -134.6 164.64 27.05 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.568 -0.901 . . . . 21.72 108.568 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 55.3 p -65.57 161.45 20.25 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.461 -0.57 . . . . 32.33 109.461 160.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.04 -37.28 74.09 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 117.705 -1.141 . . . . 39.34 108.376 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.28 75.51 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 119.718 1.144 . . . . 36.11 110.985 -177.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -99.82 4.35 45.19 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 116.418 -1.754 . . . . 39.72 111.526 -173.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.58 -27.07 69.0 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 119.555 1.071 . . . . 23.14 110.67 -172.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -58.27 -25.6 61.98 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.23 0.923 . . . . 22.35 110.994 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.89 25.85 11.06 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 125.372 1.469 . . . . 19.56 111.51 -174.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.1 p -87.68 -19.22 27.97 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 115.981 -1.961 . . . . 19.49 113.162 -169.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 31.0 m -130.11 119.09 22.49 Favored 'General case' 0 C--O 1.25 1.125 0 O-C-N 124.567 1.167 . . . . 17.0 112.351 -163.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 69.2 mt -90.02 152.49 21.15 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 124.879 1.362 . . . . 19.42 110.028 170.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.5 p -127.62 143.77 39.65 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 CA-C-N 114.442 -1.254 . . . . 15.66 107.683 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -164.04 -169.84 28.13 Favored Glycine 0 C--O 1.253 1.34 0 N-CA-C 110.792 -0.923 . . . . 13.35 110.792 174.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -140.97 134.09 29.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.132 -1.062 . . . . 23.19 108.132 -173.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -125.36 141.06 52.29 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 125.424 1.702 . . . . 16.42 107.47 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 90.8 m -115.37 126.12 54.03 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.287 -1.375 . . . . 23.04 107.287 171.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -107.84 139.25 42.72 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.563 1.79 . . . . 17.78 108.834 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.4 p -130.94 165.41 23.19 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 124.582 1.176 . . . . 25.05 108.547 173.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -84.25 -13.73 51.79 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 116.858 -1.544 . . . . 59.33 110.423 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.4 m -112.33 137.58 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 CA-C-O 117.833 -1.079 . . . . 50.28 111.722 173.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt . . . . . 0 N--CA 1.495 1.822 1 C-N-CA 131.734 4.014 . . . . 85.08 109.663 155.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' QFY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ACT . . . . . 0.968 ' C ' ' OE2' ' A' ' 112' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 1.016 ' O ' ' OE1' ' A' ' 107' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . 0.492 ' O ' ' CG2' ' A' ' 40' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 322' ' ' 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 ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' 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 0 . 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 ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 45.0 ttm . . . . . 0 N--CA 1.514 2.726 0 CA-C-O 117.978 -1.011 . . . . 91.76 109.406 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.22 147.6 47.73 Favored Glycine 0 N--CA 1.482 1.729 0 CA-C-O 116.58 -2.233 . . . . 49.57 109.054 171.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -57.56 -42.1 82.35 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 119.74 1.77 . . . . 90.99 108.622 -172.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -108.5 19.37 19.87 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 116.676 -1.63 . . . . 34.47 111.002 -175.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -51.96 -49.67 62.74 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.299 0.954 . . . . 39.7 109.413 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.53 70.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.034 -1.46 . . . . 33.71 110.44 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.21 -39.49 92.35 Favored Glycine 0 N--CA 1.473 1.14 0 O-C-N 124.186 0.929 . . . . 24.47 110.861 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -81.48 -40.28 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 CA-C-O 118.269 -0.872 . . . . 23.08 110.12 -174.385 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.7 m -59.95 130.16 45.35 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 123.429 0.692 . . . . 21.34 109.957 -174.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.75 -152.65 21.36 Favored Glycine 0 C--O 1.267 2.186 0 O-C-N 125.006 1.441 . . . . 20.94 113.421 174.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.6 m -110.45 130.89 55.46 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 106.689 -1.597 . . . . 21.51 106.689 -169.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -129.3 149.15 51.21 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 124.83 1.252 . . . . 19.7 109.168 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -128.43 139.07 52.55 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.654 -1.157 . . . . 22.66 109.703 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -105.18 -175.37 2.77 Favored 'General case' 0 C--O 1.26 1.647 0 C-N-CA 119.248 -0.981 . . . . 19.24 109.979 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -71.09 -17.0 62.6 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.043 -1.435 . . . . 22.78 110.98 -173.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.15 -11.77 40.19 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 117.561 -1.209 . . . . 26.63 109.326 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.46 13.46 59.86 Favored Glycine 0 N--CA 1.485 1.903 0 O-C-N 124.691 1.245 . . . . 22.33 113.085 -173.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.1 m -73.09 156.84 38.3 Favored 'General case' 0 C--O 1.195 -1.783 0 CA-C-N 118.538 1.169 . . . . 18.66 109.844 173.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.7 m -123.77 130.3 52.42 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.536 1.534 . . . . 26.95 110.006 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -121.16 118.04 28.65 Favored 'General case' 0 C--O 1.267 2.002 0 N-CA-C 103.941 -2.614 . . . . 25.39 103.941 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.3 mt -113.86 119.5 61.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.277 0 N-CA-C 106.692 -1.596 . . . . 31.62 106.692 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -134.31 144.26 35.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 O-C-N 124.249 0.968 . . . . 23.75 110.582 -171.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.4 m -113.21 129.68 56.44 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 116.787 -1.578 . . . . 28.84 107.139 165.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.66 126.23 41.68 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 126.366 2.291 . . . . 25.03 107.873 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.53 159.95 26.36 Favored Glycine 0 C--O 1.204 -1.719 0 N-CA-C 112.189 -0.364 . . . . 24.33 112.189 175.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.57 -21.54 66.14 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 118.522 1.161 . . . . 37.03 111.619 -177.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -90.29 -2.96 58.06 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.27 2.628 . . . . 51.65 110.062 -173.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.88 6.9 51.61 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-O 117.767 -1.574 . . . . 23.87 112.233 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.4 148.18 27.45 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.649 1.725 . . . . 21.49 111.158 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.9 mt -124.56 127.58 47.62 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 106.509 -1.663 . . . . 19.95 106.509 167.785 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 319' ' ' HOH . 46.6 p -134.85 147.89 50.0 Favored 'General case' 0 C--O 1.26 1.65 0 N-CA-C 108.709 -0.848 . . . . 21.92 108.709 175.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.24 -155.23 26.33 Favored Glycine 0 CA--C 1.489 -1.566 0 C-N-CA 119.052 -1.547 . . . . 17.78 112.338 178.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -135.19 152.77 51.89 Favored 'General case' 0 C--O 1.267 1.978 0 O-C-N 125.73 1.488 . . . . 21.93 108.82 -176.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -128.82 138.47 52.08 Favored 'General case' 0 C--O 1.202 -1.396 0 O-C-N 124.776 1.298 . . . . 17.41 108.011 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -126.09 118.98 26.42 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 126.215 2.197 . . . . 36.62 106.59 172.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.3 t -91.04 130.25 36.96 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 118.928 -0.558 . . . . 20.38 110.865 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.69 -9.35 58.61 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 124.947 1.404 . . . . 22.36 111.588 174.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.36 162.69 38.58 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 CA-C-N 119.863 1.21 . . . . 19.49 109.929 -175.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.66 -168.29 41.58 Favored Glycine 0 C--O 1.285 3.323 0 O-C-N 124.62 1.2 . . . . 18.56 113.111 171.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -86.06 74.16 10.15 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.676 -1.231 . . . . 23.35 107.676 -174.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.76 143.57 21.88 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.128 0.571 . . . . 20.34 109.633 -169.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -150.29 143.4 24.89 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 124.978 1.423 . . . . 36.78 108.252 168.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t 67.99 -153.79 0.18 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.469 -1.241 . . . . 27.75 109.183 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -104.09 149.94 24.75 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 122.578 1.18 . . . . 63.72 110.122 -166.935 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -128.63 147.16 50.71 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 114.13 -1.395 . . . . 17.79 108.49 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.36 137.18 24.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.378 -0.601 . . . . 23.03 109.378 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 pp -124.61 154.11 41.2 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.157 0.98 . . . . 23.35 110.053 169.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -143.97 149.63 37.07 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.149 -1.387 . . . . 17.59 107.546 175.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -167.64 -162.58 19.81 Favored Glycine 0 CA--C 1.492 -1.347 0 O-C-N 124.888 1.367 . . . . 14.84 112.73 175.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -146.27 151.67 37.93 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 108.235 -1.024 . . . . 21.76 108.235 -174.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -139.95 161.23 38.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.108 -1.441 . . . . 22.1 107.108 174.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -76.85 108.47 9.91 Favored 'General case' 0 C--O 1.263 1.773 0 N-CA-C 106.671 -1.603 . . . . 18.36 106.671 174.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.2 p -83.55 -2.5 56.15 Favored 'General case' 0 C--O 1.26 1.645 0 CA-C-O 116.703 -1.618 . . . . 25.43 111.0 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.61 69.6 38.13 Favored Pre-proline 0 N--CA 1.487 1.399 0 CA-C-N 119.936 1.244 . . . . 20.67 109.438 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -70.96 167.18 26.73 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 121.08 1.187 . . . . 27.08 113.744 -176.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.36 151.65 43.4 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 107.231 -1.396 . . . . 34.01 107.231 178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.8 p -102.25 20.22 17.22 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 118.479 -0.772 . . . . 47.66 110.061 -177.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -99.46 17.91 19.12 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 117.303 -1.332 . . . . 46.61 109.575 -173.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.92 3.18 90.6 Favored Glycine 0 N--CA 1.477 1.384 0 CA-C-O 117.812 -1.549 . . . . 35.97 113.469 -176.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.4 m -61.46 154.76 23.54 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.402 1.601 . . . . 33.06 109.727 169.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.83 172.68 42.87 Favored Glycine 0 C--O 1.239 0.443 0 CA-C-N 114.239 -1.346 . . . . 18.47 112.016 169.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 91.2 m -107.97 112.68 25.38 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 124.46 1.104 . . . . 19.85 108.213 -177.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 140.3 55.13 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 124.403 1.065 . . . . 15.94 110.081 -176.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -157.31 164.24 37.83 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 115.897 -0.592 . . . . 20.2 109.737 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.98 158.31 28.73 Favored Glycine 0 CA--C 1.479 -2.172 0 O-C-N 125.994 2.059 . . . . 15.22 111.725 172.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 31.1 p90 -153.89 162.84 40.9 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 124.157 0.563 . . . . 16.72 111.456 173.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.2 m -124.2 142.17 51.45 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.222 1.409 . . . . 15.39 109.626 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.58 127.64 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-N 113.937 -1.483 . . . . 17.24 107.084 164.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.84 131.73 41.85 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.621 1.201 . . . . 16.49 108.03 162.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -87.49 51.44 2.23 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 119.098 -0.477 . . . . 16.5 111.331 -166.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -123.1 129.77 51.9 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 105.897 -1.89 . . . . 35.8 105.897 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -144.66 -166.44 2.4 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 107.548 -1.279 . . . . 18.46 107.548 169.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -73.46 -11.5 60.48 Favored 'General case' 0 C--O 1.263 1.804 0 CA-C-O 116.885 -1.531 . . . . 51.54 110.383 -174.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -100.57 -39.17 8.04 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.388 0.995 . . . . 46.08 111.997 -174.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -149.75 156.84 42.53 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.471 0.482 . . . . 31.99 111.642 -169.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -136.19 113.33 10.54 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 125.488 1.743 . . . . 18.2 106.423 172.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.16 6.13 49.5 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 116.29 -1.814 . . . . 17.96 110.311 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 47.32 50.59 14.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.314 1.846 . . . . 18.57 110.152 176.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.0 p -152.57 164.84 36.84 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.63 -0.714 . . . . 17.86 110.969 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.88 136.71 28.94 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.234 -1.765 . . . . 17.17 106.234 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.5 m -111.88 138.87 47.91 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 106.542 -1.651 . . . . 14.13 106.542 172.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.6 p -118.35 131.37 56.31 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 108.245 -1.02 . . . . 15.56 108.245 167.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -105.55 134.33 48.84 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 125.608 1.817 . . . . 14.88 108.557 173.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -127.53 129.76 47.94 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 106.026 -1.842 . . . . 16.2 106.026 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.31 -158.83 20.76 Favored Glycine 0 C--O 1.245 0.835 0 C-N-CA 117.916 -2.087 . . . . 15.64 110.82 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -138.91 145.27 39.65 Favored 'General case' 0 C--O 1.188 -2.153 0 CA-C-N 113.113 -1.543 . . . . 23.34 110.963 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -91.26 128.79 37.22 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 126.468 2.355 . . . . 25.16 106.665 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 32.7 t -119.85 116.35 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 106.192 -1.781 . . . . 32.0 106.192 177.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.19 -176.21 51.37 Favored Glycine 0 N--CA 1.488 2.15 0 O-C-N 124.301 1.0 . . . . 36.36 112.382 -174.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.45 -173.75 20.6 Favored Glycine 0 N--CA 1.483 1.817 0 CA-C-O 118.432 -1.205 . . . . 46.26 111.611 175.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.9 62.95 Favored 'General case' 0 C--O 1.27 2.137 0 C-N-CA 123.797 0.839 . . . . 56.53 109.312 -164.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.63 65.42 0.74 Allowed 'General case' 0 C--O 1.271 2.234 0 O-C-N 125.466 1.729 . . . . 91.85 106.593 -176.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.61 144.12 33.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 124.871 1.357 . . . . 30.54 109.665 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -148.97 153.71 38.33 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.401 -0.592 . . . . 40.76 109.401 176.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.9 mt -114.32 118.58 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.82 -1.548 . . . . 22.22 106.82 164.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -101.84 121.11 41.47 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 105.643 -1.984 . . . . 27.23 105.643 -178.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 33.8 p -130.72 160.01 35.59 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 122.601 1.191 . . . . 16.53 112.015 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLN . . . . . 1.016 ' OE1' ' O ' ' A' ' 301' ' ' HOH . 45.7 mt-30 -119.72 150.55 40.19 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 105.879 -1.897 . . . . 22.84 105.879 159.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -135.61 155.99 49.57 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.839 -0.344 . . . . 15.18 111.643 -175.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.62 128.22 49.37 Favored 'General case' 0 C--O 1.201 -1.49 0 O-C-N 126.197 2.185 . . . . 17.85 107.622 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.9 tp -120.38 108.39 14.08 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 124.909 1.381 . . . . 25.0 107.392 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.5 m -104.05 133.43 49.01 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 115.155 -0.929 . . . . 15.7 108.511 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLU . . . . . 0.968 ' OE2' ' C ' ' A' ' 203' ' ' ACT . 34.3 tt0 -113.01 134.13 54.65 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.396 -1.705 . . . . 35.77 106.396 172.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.17 132.34 41.9 Favored Glycine 0 N--CA 1.469 0.846 0 N-CA-C 109.745 -1.342 . . . . 19.06 109.745 169.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.0 p -134.6 164.64 27.05 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.568 -0.901 . . . . 21.72 108.568 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 55.3 p -65.57 161.45 20.25 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.461 -0.57 . . . . 32.33 109.461 160.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.04 -37.28 74.09 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 117.705 -1.141 . . . . 39.34 108.376 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.28 75.51 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 119.718 1.144 . . . . 36.11 110.985 -177.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -99.82 4.35 45.19 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 116.418 -1.754 . . . . 39.72 111.526 -173.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.58 -27.07 69.0 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 119.555 1.071 . . . . 23.14 110.67 -172.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -58.27 -25.6 61.98 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.23 0.923 . . . . 22.35 110.994 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.89 25.85 11.06 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 125.372 1.469 . . . . 19.56 111.51 -174.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.1 p -87.68 -19.22 27.97 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 115.981 -1.961 . . . . 19.49 113.162 -169.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 31.0 m -130.11 119.09 22.49 Favored 'General case' 0 C--O 1.25 1.125 0 O-C-N 124.567 1.167 . . . . 17.0 112.351 -163.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 69.2 mt -90.02 152.49 21.15 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 124.879 1.362 . . . . 19.42 110.028 170.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.5 p -127.62 143.77 39.65 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 CA-C-N 114.442 -1.254 . . . . 15.66 107.683 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -164.04 -169.84 28.13 Favored Glycine 0 C--O 1.253 1.34 0 N-CA-C 110.792 -0.923 . . . . 13.35 110.792 174.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -140.97 134.09 29.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.132 -1.062 . . . . 23.19 108.132 -173.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -125.36 141.06 52.29 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 125.424 1.702 . . . . 16.42 107.47 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 90.8 m -115.37 126.12 54.03 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.287 -1.375 . . . . 23.04 107.287 171.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -107.84 139.25 42.72 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.563 1.79 . . . . 17.78 108.834 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.4 p -130.94 165.41 23.19 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 124.582 1.176 . . . . 25.05 108.547 173.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -84.25 -13.73 51.79 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 116.858 -1.544 . . . . 59.33 110.423 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.4 m -112.33 137.58 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 CA-C-O 117.833 -1.079 . . . . 50.28 111.722 173.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 134' ' ' LYS . 7.0 ttpt . . . . . 0 N--CA 1.495 1.822 1 C-N-CA 131.734 4.014 . . . . 85.08 109.663 155.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 201' ' ' QFY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ACT . . . . . 0.968 ' C ' ' OE2' ' A' ' 112' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 1.016 ' O ' ' OE1' ' A' ' 107' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . 0.79 ' O ' HG22 ' A' ' 40' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 322' ' ' 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 0 . 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 0 . 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 ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' 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 0 . 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 ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 45.0 ttm . . . . . 0 N--CA 1.514 2.726 0 CA-C-O 117.978 -1.011 . . . . 91.76 109.406 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.22 147.6 47.73 Favored Glycine 0 N--CA 1.482 1.729 0 CA-C-O 116.58 -2.233 . . . . 49.57 109.054 171.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.9 tmm_? -57.56 -42.1 82.35 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-N 119.74 1.77 . . . . 90.99 108.622 -172.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -108.5 19.37 19.87 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 116.676 -1.63 . . . . 34.47 111.002 -175.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 -51.96 -49.67 62.74 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.299 0.954 . . . . 39.7 109.413 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.09 -33.53 70.27 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 117.034 -1.46 . . . . 33.71 110.44 -175.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.21 -39.49 92.35 Favored Glycine 0 N--CA 1.473 1.14 0 O-C-N 124.186 0.929 . . . . 24.47 110.861 -178.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 86.1 mt -81.48 -40.28 17.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.0 0 CA-C-O 118.269 -0.872 . . . . 23.08 110.12 -174.385 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 52.7 m -59.95 130.16 45.35 Favored 'General case' 0 CA--C 1.511 -0.536 0 C-N-CA 123.429 0.692 . . . . 21.34 109.957 -174.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 136.75 -152.65 21.36 Favored Glycine 0 C--O 1.267 2.186 0 O-C-N 125.006 1.441 . . . . 20.94 113.421 174.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 59.6 m -110.45 130.89 55.46 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 106.689 -1.597 . . . . 21.51 106.689 -169.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 91.3 m95 -129.3 149.15 51.21 Favored 'General case' 0 C--O 1.221 -0.411 0 C-N-CA 124.83 1.252 . . . . 19.7 109.168 -179.308 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 55.6 m-85 -128.43 139.07 52.55 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 114.654 -1.157 . . . . 22.66 109.703 -178.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 42.8 p30 -105.18 -175.37 2.77 Favored 'General case' 0 C--O 1.26 1.647 0 C-N-CA 119.248 -0.981 . . . . 19.24 109.979 177.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.2 pm0 -71.09 -17.0 62.6 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 114.043 -1.435 . . . . 22.78 110.98 -173.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 97.1 mt -90.15 -11.77 40.19 Favored 'General case' 0 C--O 1.251 1.182 0 CA-C-O 117.561 -1.209 . . . . 26.63 109.326 -179.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.46 13.46 59.86 Favored Glycine 0 N--CA 1.485 1.903 0 O-C-N 124.691 1.245 . . . . 22.33 113.085 -173.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.1 m -73.09 156.84 38.3 Favored 'General case' 0 C--O 1.195 -1.783 0 CA-C-N 118.538 1.169 . . . . 18.66 109.844 173.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 19.7 m -123.77 130.3 52.42 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.536 1.534 . . . . 26.95 110.006 -178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -121.16 118.04 28.65 Favored 'General case' 0 C--O 1.267 2.002 0 N-CA-C 103.941 -2.614 . . . . 25.39 103.941 -175.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.3 mt -113.86 119.5 61.24 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.277 0 N-CA-C 106.692 -1.596 . . . . 31.62 106.692 176.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.5 p -134.31 144.26 35.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 O-C-N 124.249 0.968 . . . . 23.75 110.582 -171.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.4 m -113.21 129.68 56.44 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 116.787 -1.578 . . . . 28.84 107.139 165.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.66 126.23 41.68 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 126.366 2.291 . . . . 25.03 107.873 175.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -91.53 159.95 26.36 Favored Glycine 0 C--O 1.204 -1.719 0 N-CA-C 112.189 -0.364 . . . . 24.33 112.189 175.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.57 -21.54 66.14 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 118.522 1.161 . . . . 37.03 111.619 -177.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -90.29 -2.96 58.06 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 128.27 2.628 . . . . 51.65 110.062 -173.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 100.88 6.9 51.61 Favored Glycine 0 N--CA 1.469 0.86 0 CA-C-O 117.767 -1.574 . . . . 23.87 112.233 -179.49 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -83.4 148.18 27.45 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.649 1.725 . . . . 21.49 111.158 -179.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.9 mt -124.56 127.58 47.62 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 106.509 -1.663 . . . . 19.95 106.509 167.785 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' THR . . . . . 0.79 HG22 ' O ' ' A' ' 319' ' ' HOH . 46.6 p -134.85 147.89 50.0 Favored 'General case' 0 C--O 1.26 1.65 0 N-CA-C 108.709 -0.848 . . . . 21.92 108.709 175.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.24 -155.23 26.33 Favored Glycine 0 CA--C 1.489 -1.566 0 C-N-CA 119.052 -1.547 . . . . 17.78 112.338 178.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 81.7 p -135.19 152.77 51.89 Favored 'General case' 0 C--O 1.267 1.978 0 O-C-N 125.73 1.488 . . . . 21.93 108.82 -176.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -128.82 138.47 52.08 Favored 'General case' 0 C--O 1.202 -1.396 0 O-C-N 124.776 1.298 . . . . 17.41 108.011 178.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -126.09 118.98 26.42 Favored 'General case' 0 C--O 1.246 0.905 0 O-C-N 126.215 2.197 . . . . 36.62 106.59 172.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 42.3 t -91.04 130.25 36.96 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-O 118.928 -0.558 . . . . 20.38 110.865 179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.69 -9.35 58.61 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 124.947 1.404 . . . . 22.36 111.588 174.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.7 m -134.36 162.69 38.58 Favored 'Isoleucine or valine' 0 C--O 1.256 1.426 0 CA-C-N 119.863 1.21 . . . . 19.49 109.929 -175.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 85.66 -168.29 41.58 Favored Glycine 0 C--O 1.285 3.323 0 O-C-N 124.62 1.2 . . . . 18.56 113.111 171.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 52.9 t-20 -86.06 74.16 10.15 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 107.676 -1.231 . . . . 23.35 107.676 -174.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.76 143.57 21.88 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 123.128 0.571 . . . . 20.34 109.633 -169.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -150.29 143.4 24.89 Favored 'General case' 0 C--N 1.313 -0.997 0 O-C-N 124.978 1.423 . . . . 36.78 108.252 168.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t 67.99 -153.79 0.18 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.469 -1.241 . . . . 27.75 109.183 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -104.09 149.94 24.75 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-O 122.578 1.18 . . . . 63.72 110.122 -166.935 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -128.63 147.16 50.71 Favored 'General case' 0 C--O 1.201 -1.456 0 CA-C-N 114.13 -1.395 . . . . 17.79 108.49 177.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 39.1 t -70.36 137.18 24.5 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 N-CA-C 109.378 -0.601 . . . . 23.03 109.378 -179.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 pp -124.61 154.11 41.2 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-O 122.157 0.98 . . . . 23.35 110.053 169.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.7 t -143.97 149.63 37.07 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-N 114.149 -1.387 . . . . 17.59 107.546 175.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -167.64 -162.58 19.81 Favored Glycine 0 CA--C 1.492 -1.347 0 O-C-N 124.888 1.367 . . . . 14.84 112.73 175.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 29.9 mmm180 -146.27 151.67 37.93 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 108.235 -1.024 . . . . 21.76 108.235 -174.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -139.95 161.23 38.09 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.108 -1.441 . . . . 22.1 107.108 174.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -76.85 108.47 9.91 Favored 'General case' 0 C--O 1.263 1.773 0 N-CA-C 106.671 -1.603 . . . . 18.36 106.671 174.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.2 p -83.55 -2.5 56.15 Favored 'General case' 0 C--O 1.26 1.645 0 CA-C-O 116.703 -1.618 . . . . 25.43 111.0 -177.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -139.61 69.6 38.13 Favored Pre-proline 0 N--CA 1.487 1.399 0 CA-C-N 119.936 1.244 . . . . 20.67 109.438 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -70.96 167.18 26.73 Favored 'Trans proline' 0 N--CA 1.456 -0.693 0 C-N-CA 121.08 1.187 . . . . 27.08 113.744 -176.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.36 151.65 43.4 Favored 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 107.231 -1.396 . . . . 34.01 107.231 178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 12.8 p -102.25 20.22 17.22 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 118.479 -0.772 . . . . 47.66 110.061 -177.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 58.8 p30 -99.46 17.91 19.12 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 117.303 -1.332 . . . . 46.61 109.575 -173.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.92 3.18 90.6 Favored Glycine 0 N--CA 1.477 1.384 0 CA-C-O 117.812 -1.549 . . . . 35.97 113.469 -176.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 67.4 m -61.46 154.76 23.54 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 119.402 1.601 . . . . 33.06 109.727 169.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.83 172.68 42.87 Favored Glycine 0 C--O 1.239 0.443 0 CA-C-N 114.239 -1.346 . . . . 18.47 112.016 169.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 91.2 m -107.97 112.68 25.38 Favored 'General case' 0 C--O 1.206 -1.191 0 C-N-CA 124.46 1.104 . . . . 19.85 108.213 -177.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -68.91 140.3 55.13 Favored 'General case' 0 N--CA 1.482 1.13 0 O-C-N 124.403 1.065 . . . . 15.94 110.081 -176.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -157.31 164.24 37.83 Favored 'General case' 0 C--O 1.247 0.94 0 CA-C-N 115.897 -0.592 . . . . 20.2 109.737 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -156.98 158.31 28.73 Favored Glycine 0 CA--C 1.479 -2.172 0 O-C-N 125.994 2.059 . . . . 15.22 111.725 172.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 31.1 p90 -153.89 162.84 40.9 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 124.157 0.563 . . . . 16.72 111.456 173.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 52.2 m -124.2 142.17 51.45 Favored 'General case' 0 CA--C 1.51 -0.56 0 C-N-CA 125.222 1.409 . . . . 15.39 109.626 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 54.5 t -126.58 127.64 70.46 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 CA-C-N 113.937 -1.483 . . . . 17.24 107.084 164.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -95.84 131.73 41.85 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.621 1.201 . . . . 16.49 108.03 162.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 97.1 m95 -87.49 51.44 2.23 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 119.098 -0.477 . . . . 16.5 111.331 -166.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -123.1 129.77 51.9 Favored 'General case' 0 C--O 1.243 0.75 0 N-CA-C 105.897 -1.89 . . . . 35.8 105.897 173.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 40.8 p30 -144.66 -166.44 2.4 Favored 'General case' 0 C--O 1.22 -0.485 0 N-CA-C 107.548 -1.279 . . . . 18.46 107.548 169.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -73.46 -11.5 60.48 Favored 'General case' 0 C--O 1.263 1.804 0 CA-C-O 116.885 -1.531 . . . . 51.54 110.383 -174.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -100.57 -39.17 8.04 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-N 119.388 0.995 . . . . 46.08 111.997 -174.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mtt180 -149.75 156.84 42.53 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.471 0.482 . . . . 31.99 111.642 -169.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 61.1 t-20 -136.19 113.33 10.54 Favored 'General case' 0 C--N 1.309 -1.186 0 O-C-N 125.488 1.743 . . . . 18.2 106.423 172.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.16 6.13 49.5 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 116.29 -1.814 . . . . 17.96 110.311 -179.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 47.32 50.59 14.36 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 126.314 1.846 . . . . 18.57 110.152 176.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.0 p -152.57 164.84 36.84 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-N 115.63 -0.714 . . . . 17.86 110.969 -175.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.88 136.71 28.94 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.234 -1.765 . . . . 17.17 106.234 179.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 88.5 m -111.88 138.87 47.91 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 106.542 -1.651 . . . . 14.13 106.542 172.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 70.6 p -118.35 131.37 56.31 Favored 'General case' 0 C--O 1.258 1.503 0 N-CA-C 108.245 -1.02 . . . . 15.56 108.245 167.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -105.55 134.33 48.84 Favored 'General case' 0 N--CA 1.483 1.212 0 O-C-N 125.608 1.817 . . . . 14.88 108.557 173.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.6 t -127.53 129.76 47.94 Favored 'General case' 0 C--O 1.214 -0.783 0 N-CA-C 106.026 -1.842 . . . . 16.2 106.026 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -176.31 -158.83 20.76 Favored Glycine 0 C--O 1.245 0.835 0 C-N-CA 117.916 -2.087 . . . . 15.64 110.82 -179.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.1 pt20 -138.91 145.27 39.65 Favored 'General case' 0 C--O 1.188 -2.153 0 CA-C-N 113.113 -1.543 . . . . 23.34 110.963 -178.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 20.2 t80 -91.26 128.79 37.22 Favored 'General case' 0 N--CA 1.485 1.293 0 O-C-N 126.468 2.355 . . . . 25.16 106.665 173.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 32.7 t -119.85 116.35 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.302 0 N-CA-C 106.192 -1.781 . . . . 32.0 106.192 177.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -83.19 -176.21 51.37 Favored Glycine 0 N--CA 1.488 2.15 0 O-C-N 124.301 1.0 . . . . 36.36 112.382 -174.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 105.45 -173.75 20.6 Favored Glycine 0 N--CA 1.483 1.817 0 CA-C-O 118.432 -1.205 . . . . 46.26 111.611 175.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -53.41 -37.9 62.95 Favored 'General case' 0 C--O 1.27 2.137 0 C-N-CA 123.797 0.839 . . . . 56.53 109.312 -164.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.63 65.42 0.74 Allowed 'General case' 0 C--O 1.271 2.234 0 O-C-N 125.466 1.729 . . . . 91.85 106.593 -176.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.61 144.12 33.26 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 124.871 1.357 . . . . 30.54 109.665 177.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -148.97 153.71 38.33 Favored 'General case' 0 C--O 1.223 -0.316 0 N-CA-C 109.401 -0.592 . . . . 40.76 109.401 176.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 76.9 mt -114.32 118.58 58.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 N-CA-C 106.82 -1.548 . . . . 22.22 106.82 164.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -101.84 121.11 41.47 Favored 'General case' 0 C--O 1.209 -1.051 0 N-CA-C 105.643 -1.984 . . . . 27.23 105.643 -178.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' THR . . . . . . . . . . . . . 33.8 p -130.72 160.01 35.59 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-O 122.601 1.191 . . . . 16.53 112.015 -177.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLN . . . . . 1.016 ' OE1' ' O ' ' A' ' 301' ' ' HOH . 45.7 mt-30 -119.72 150.55 40.19 Favored 'General case' 0 C--O 1.252 1.211 0 N-CA-C 105.879 -1.897 . . . . 22.84 105.879 159.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 36.9 p-90 -135.61 155.99 49.57 Favored 'General case' 0 C--N 1.314 -0.937 0 C-N-CA 120.839 -0.344 . . . . 15.18 111.643 -175.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.4 mt -123.62 128.22 49.37 Favored 'General case' 0 C--O 1.201 -1.49 0 O-C-N 126.197 2.185 . . . . 17.85 107.622 173.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 3.9 tp -120.38 108.39 14.08 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 124.909 1.381 . . . . 25.0 107.392 -179.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.5 m -104.05 133.43 49.01 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 115.155 -0.929 . . . . 15.7 108.511 -179.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.968 ' OE2' ' C ' ' A' ' 203' ' ' ACT . 34.3 tt0 -113.01 134.13 54.65 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.396 -1.705 . . . . 35.77 106.396 172.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -53.17 132.34 41.9 Favored Glycine 0 N--CA 1.469 0.846 0 N-CA-C 109.745 -1.342 . . . . 19.06 109.745 169.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 71.0 p -134.6 164.64 27.05 Favored 'General case' 0 N--CA 1.479 1.014 0 N-CA-C 108.568 -0.901 . . . . 21.72 108.568 -179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 55.3 p -65.57 161.45 20.25 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 109.461 -0.57 . . . . 32.33 109.461 160.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.04 -37.28 74.09 Favored 'General case' 0 N--CA 1.492 1.637 0 CA-C-O 117.705 -1.141 . . . . 39.34 108.376 177.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.71 -34.28 75.51 Favored 'General case' 0 N--CA 1.491 1.581 0 CA-C-N 119.718 1.144 . . . . 36.11 110.985 -177.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -99.82 4.35 45.19 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-O 116.418 -1.754 . . . . 39.72 111.526 -173.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -63.58 -27.07 69.0 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 119.555 1.071 . . . . 23.14 110.67 -172.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 59.2 p-90 -58.27 -25.6 61.98 Favored 'General case' 0 N--CA 1.479 0.997 0 CA-C-N 119.23 0.923 . . . . 22.35 110.994 176.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -107.89 25.85 11.06 Favored 'General case' 0 C--O 1.243 0.746 0 C-N-CA 125.372 1.469 . . . . 19.56 111.51 -174.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.1 p -87.68 -19.22 27.97 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 115.981 -1.961 . . . . 19.49 113.162 -169.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 31.0 m -130.11 119.09 22.49 Favored 'General case' 0 C--O 1.25 1.125 0 O-C-N 124.567 1.167 . . . . 17.0 112.351 -163.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 69.2 mt -90.02 152.49 21.15 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 124.879 1.362 . . . . 19.42 110.028 170.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 7.5 p -127.62 143.77 39.65 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 CA-C-N 114.442 -1.254 . . . . 15.66 107.683 173.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -164.04 -169.84 28.13 Favored Glycine 0 C--O 1.253 1.34 0 N-CA-C 110.792 -0.923 . . . . 13.35 110.792 174.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -140.97 134.09 29.39 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.132 -1.062 . . . . 23.19 108.132 -173.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -125.36 141.06 52.29 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 125.424 1.702 . . . . 16.42 107.47 177.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 90.8 m -115.37 126.12 54.03 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 107.287 -1.375 . . . . 23.04 107.287 171.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -107.84 139.25 42.72 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 125.563 1.79 . . . . 17.78 108.834 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 54.4 p -130.94 165.41 23.19 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 124.582 1.176 . . . . 25.05 108.547 173.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 21.9 mmtt -84.25 -13.73 51.79 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 116.858 -1.544 . . . . 59.33 110.423 -179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 10.4 m -112.33 137.58 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 CA-C-O 117.833 -1.079 . . . . 50.28 111.722 173.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 134' ' ' LYS . 7.0 ttpt . . . . . 0 N--CA 1.495 1.822 1 C-N-CA 131.734 4.014 . . . . 85.08 109.663 155.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' QFY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ACT . . . . . 0.968 ' C ' ' OE2' ' A' ' 112' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 1.016 ' O ' ' OE1' ' A' ' 107' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . 0.79 ' O ' HG22 ' A' ' 40' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 322' ' ' 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 0 . 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 0 . 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 ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' 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 0 . 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 ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 361' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 362' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_