data_6nlb_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 6nlb _Structure_validation_residue.Date_analyzed 2019-01-18 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 106.999 -1.482 . . . . 46.54 106.999 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.7 m -85.38 123.88 31.35 Favored 'General case' 0 CA--C 1.57 1.748 0 C-N-CA 124.188 0.995 . . . . 32.35 112.92 175.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -115.96 142.24 47.05 Favored 'General case' 0 CA--C 1.485 -1.529 0 N-CA-C 103.623 -2.732 . . . . 27.2 103.623 171.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -113.16 154.45 26.65 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 105.969 -1.863 . . . . 24.5 105.969 176.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp -127.33 132.84 50.17 Favored 'General case' 0 C--O 1.263 1.785 0 C-N-CA 128.408 2.683 . . . . 20.52 108.671 172.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.8 mm -102.47 124.02 56.16 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.445 0 N-CA-C 106.239 -1.763 . . . . 23.22 106.239 168.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 mp -111.28 116.72 31.5 Favored 'General case' 0 CA--C 1.499 -1.018 0 O-C-N 120.986 -1.071 . . . . 28.61 108.719 172.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -119.52 90.59 3.36 Favored 'General case' 0 N--CA 1.402 -2.86 0 N-CA-C 101.131 -3.655 . . . . 33.21 101.131 174.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.2 168.76 13.47 Favored Glycine 0 CA--C 1.475 -2.419 1 N-CA-C 102.71 -4.156 . . . . 27.41 102.71 -176.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -71.74 -34.23 69.34 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.069 0.766 . . . . 36.04 113.069 -179.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 m -111.04 -30.78 7.36 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 114.56 1.318 . . . . 34.44 114.56 175.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 203' ' ' HOH . 86.3 m-70 -106.86 125.26 50.78 Favored 'General case' 0 C--O 1.265 1.91 0 C-N-CA 125.01 1.324 . . . . 37.34 112.935 177.72 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 mmtt -127.87 167.16 16.97 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 107.0 -1.481 . . . . 28.67 107.0 171.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.09 -169.79 34.8 Favored Glycine 0 C--O 1.241 0.585 0 CA-C-N 114.984 -1.007 . . . . 24.58 114.423 170.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.5 t -135.79 125.33 40.69 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 C-N-CA 125.234 1.414 . . . . 23.09 107.459 170.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.26 12.0 mt -122.46 145.97 47.81 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.457 -2.053 . . . . 24.3 105.457 177.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -118.49 159.67 23.1 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 124.56 1.162 . . . . 25.53 108.607 168.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 tt -149.59 139.93 16.4 Favored 'Isoleucine or valine' 0 C--O 1.277 2.51 0 N-CA-C 105.86 -1.904 . . . . 28.24 105.86 -179.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -94.63 118.02 31.05 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 105.412 -2.07 . . . . 33.4 105.412 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.1 -178.9 5.55 Favored 'General case' 0 CA--C 1.487 -1.475 0 CA-C-O 121.726 0.774 . . . . 33.32 111.415 -177.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -106.93 -41.34 5.68 Favored 'Isoleucine or valine' 0 C--O 1.259 1.586 0 CA-C-N 113.678 -1.601 . . . . 35.04 108.86 -165.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -137.49 170.98 15.15 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 107.463 -1.31 . . . . 29.46 107.463 165.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.79 -20.75 62.56 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 115.819 -0.628 . . . . 24.87 111.189 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.55 65.6 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 112.641 0.608 . . . . 23.35 112.641 169.182 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.254 19.3 m -82.88 -37.19 24.65 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 105.669 -1.974 . . . . 21.09 105.669 -170.989 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -55.91 28.63 Favored 'General case' 0 C--O 1.203 -1.389 0 O-C-N 119.549 -1.969 . . . . 19.25 110.928 174.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . 0.442 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 18.3 tt0 -40.05 -63.36 0.61 Allowed 'General case' 0 C--O 1.263 1.792 0 N-CA-C 117.123 2.268 . . . . 20.15 117.123 172.508 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -33.52 -56.3 0.44 Allowed 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 115.594 1.702 . . . . 26.65 115.594 166.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -74.85 -57.9 3.62 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 105.846 -1.909 . . . . 31.1 105.846 -170.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 19.9 m-30 -55.57 -30.11 60.21 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 118.155 -1.418 . . . . 22.03 112.858 -179.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' NZ ' ' OE2' ' A' ' 27' ' ' GLU . 70.8 mttt -78.01 -29.5 49.55 Favored 'General case' 0 C--O 1.261 1.709 0 CA-C-N 118.866 0.757 . . . . 25.19 111.48 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -72.23 -35.0 68.73 Favored 'General case' 0 C--O 1.186 -2.277 0 CA-C-O 122.33 1.062 . . . . 29.55 112.107 172.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 202' ' ' HOH . 19.2 m170 -73.17 -30.01 63.26 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.831 -1.168 . . . . 43.82 110.486 179.424 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.58 -66.13 0.52 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 123.14 0.576 . . . . 32.97 112.183 167.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -41.54 -50.28 4.02 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 118.918 -0.563 . . . . 35.93 112.083 173.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -53.63 -39.89 65.34 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.252 -1.388 . . . . 31.65 107.252 -173.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . 0.499 ' CD2' ' CE1' ' B' ' 33' ' ' HIS . 93.5 mt -75.02 -29.23 60.78 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 114.247 1.202 . . . . 32.92 114.247 -178.61 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.09 25.45 7.92 Favored Glycine 0 N--CA 1.421 -2.354 0 N-CA-C 109.218 -1.553 . . . . 35.49 109.218 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.19 113.37 29.46 Favored 'Isoleucine or valine' 0 C--O 1.26 1.652 0 N-CA-C 105.248 -2.13 . . . . 36.98 105.248 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -109.85 118.17 35.77 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 103.43 -2.804 . . . . 39.63 103.43 162.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.85 -164.74 12.21 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 118.226 2.05 . . . . 35.84 118.226 173.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -91.73 132.28 36.5 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 104.944 -2.243 . . . . 45.23 104.944 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 66.4 m95 -105.23 140.38 38.46 Favored 'General case' 0 C--O 1.182 -2.491 0 C-N-CA 126.525 1.93 . . . . 25.36 110.718 -175.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.2 p -134.52 157.06 47.48 Favored 'General case' 0 N--CA 1.42 -1.944 0 O-C-N 120.598 -1.314 . . . . 21.16 109.293 161.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -132.13 121.38 23.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.411 1.084 . . . . 23.59 109.014 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD2' ' OG1' ' A' ' 49' ' ' THR . 2.1 t70 -105.82 117.45 34.05 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 104.77 -2.308 . . . . 28.42 104.77 171.181 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -65.42 -36.23 83.3 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 114.826 1.417 . . . . 36.83 114.826 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.98 88.31 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.934 -1.104 . . . . 35.06 111.207 -173.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . 0.442 ' OG1' ' OD2' ' A' ' 46' ' ' ASP . 42.9 p -98.41 5.88 47.74 Favored 'General case' 0 C--O 1.275 2.396 0 N-CA-C 115.757 1.762 . . . . 31.05 115.757 175.609 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm 51.49 52.54 14.5 Favored 'General case' 0 C--O 1.208 -1.13 0 N-CA-C 114.065 1.135 . . . . 36.75 114.065 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.7 m -134.74 120.39 19.4 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 109.362 -0.607 . . . . 22.64 109.362 -168.105 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -92.87 141.23 28.66 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 103.826 -2.657 . . . . 18.87 103.826 173.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.4 m -116.14 148.71 40.05 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 103.745 -2.687 . . . . 19.09 103.745 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 p -145.16 134.02 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.217 0 N-CA-C 101.24 -3.615 . . . . 20.16 101.24 164.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -136.49 120.23 17.31 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 126.805 2.565 . . . . 25.11 106.696 -166.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.494 1.735 0 C-N-CA 124.175 0.99 . . . . 37.76 109.863 178.813 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.6 ttp . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.925 0.869 . . . . 37.99 109.211 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -93.17 129.46 39.17 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.809 -0.632 . . . . 26.45 109.528 -175.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' TYR . . . . . . . . . . . . . 62.2 m-85 -116.61 149.03 40.37 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 106.146 -1.798 . . . . 25.84 106.146 173.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.357 3.4 mppt? -109.39 143.33 39.1 Favored 'General case' 0 CA--C 1.483 -1.634 0 C-N-CA 127.805 2.442 . . . . 24.58 106.62 174.949 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 tp -126.0 116.04 20.83 Favored 'General case' 0 N--CA 1.436 -1.135 0 O-C-N 125.737 1.898 . . . . 22.46 105.918 166.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 29.3 mm -93.55 105.71 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 N-CA-C 105.639 -1.986 . . . . 25.11 105.639 174.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mt -87.28 123.16 31.97 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.933 1.293 . . . . 30.24 113.568 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASN . . . . . 0.432 ' OD1' ' NZ ' ' B' ' 13' ' ' LYS . 27.2 t-20 -138.57 69.35 1.38 Allowed 'General case' 0 N--CA 1.422 -1.829 0 C-N-CA 117.575 -1.65 . . . . 30.98 114.801 179.151 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.17 -178.41 35.91 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 111.851 -2.431 . . . . 37.05 115.363 166.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -83.88 -31.65 25.61 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-O 122.533 1.159 . . . . 38.8 111.548 -168.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -101.0 -29.4 12.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.805 -0.758 . . . . 36.42 110.609 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -125.37 134.4 52.19 Favored 'General case' 0 C--O 1.266 1.929 0 N-CA-C 109.29 -0.634 . . . . 40.89 109.29 -170.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . 0.432 ' NZ ' ' OD1' ' B' ' 8' ' ' ASN . 75.6 mmtt -130.8 153.17 49.35 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 106.329 -1.73 . . . . 29.94 106.329 176.341 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.52 165.02 36.86 Favored Glycine 0 CA--C 1.47 -2.743 0 C-N-CA 115.26 -3.353 . . . . 26.21 113.082 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 8.2 t -122.42 109.54 24.4 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 O-C-N 126.424 1.897 . . . . 26.59 110.625 149.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' B' ' 101' ' ' HOH . 4.0 mt -93.13 163.21 13.72 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.194 0.906 . . . . 25.09 108.565 169.88 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 34.9 p -127.4 152.4 47.56 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 107.147 -1.427 . . . . 25.42 107.147 159.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 9.9 tt -142.38 135.78 27.8 Favored 'Isoleucine or valine' 0 C--O 1.271 2.196 0 N-CA-C 105.985 -1.857 . . . . 24.55 105.985 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -91.41 118.38 30.49 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 112.526 -2.124 . . . . 27.72 105.638 168.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.2 154.19 51.01 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 122.686 1.231 . . . . 26.74 110.619 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . 0.371 0.5 OUTLIER -63.1 -48.33 88.32 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 N-CA-C 106.128 -1.804 . . . . 28.92 106.128 179.574 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASP . . . . . 0.681 ' OD1' ' OG1' ' B' ' 25' ' ' THR . 0.5 OUTLIER -139.33 -173.29 3.56 Favored 'General case' 0 N--CA 1.531 3.614 0 N-CA-C 117.153 2.279 . . . . 31.19 117.153 -176.485 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.56 -30.62 33.0 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 119.869 -1.769 . . . . 29.46 113.278 -176.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.29 -31.26 67.24 Favored 'General case' 0 N--CA 1.406 -2.632 0 CA-C-N 113.413 -1.721 . . . . 26.59 107.614 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' THR . . . . . 0.681 ' OG1' ' OD1' ' B' ' 22' ' ' ASP . 5.9 m -74.11 -51.15 16.54 Favored 'General case' 0 CA--C 1.476 -1.871 0 O-C-N 123.837 0.711 . . . . 23.49 111.535 -179.033 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.69 70.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 CA-C-O 118.679 -0.677 . . . . 23.36 109.984 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -67.9 -38.26 82.74 Favored 'General case' 0 N--CA 1.413 -2.313 0 O-C-N 123.951 0.782 . . . . 22.68 109.966 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -67.68 -47.47 69.38 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 123.717 0.807 . . . . 29.21 110.637 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' HIS . . . . . 0.613 ' O ' ' CD2' ' B' ' 33' ' ' HIS . 49.7 m170 -65.08 -30.32 71.27 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 112.577 0.584 . . . . 31.81 112.577 174.988 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' B' ' 101' ' ' HOH . 2.8 m-85 -81.0 -47.1 14.07 Favored 'General case' 0 CA--C 1.483 -1.611 0 N-CA-C 108.291 -1.003 . . . . 22.44 108.291 -172.931 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LYS . . . . . 0.425 ' NZ ' ' O ' ' B' ' 105' ' ' HOH . 51.2 mttt -65.62 -30.42 71.13 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.351 -0.939 . . . . 24.88 110.084 178.527 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -64.21 -54.17 37.68 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.19 -1.041 . . . . 33.72 108.19 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' B' ' 29' ' ' HIS . 18.1 m170 -49.6 -62.79 1.36 Allowed 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.756 0.823 . . . . 35.0 109.312 174.043 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.81 -31.43 11.72 Favored 'General case' 0 N--CA 1.518 2.925 0 N-CA-C 115.337 1.606 . . . . 30.83 115.337 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -74.64 -33.71 62.6 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 115.62 1.711 . . . . 39.53 115.62 166.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.2 -27.39 69.32 Favored 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 118.101 -1.44 . . . . 31.74 111.863 173.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LEU . . . . . 0.475 ' CD2' ' ND1' ' A' ' 33' ' ' HIS . 51.3 mt -79.74 -5.29 54.96 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 116.096 1.887 . . . . 36.82 116.096 175.076 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.55 43.01 90.9 Favored Glycine 0 N--CA 1.496 2.659 0 C-N-CA 119.143 -1.503 . . . . 38.19 114.419 -164.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 90.4 t -110.44 100.64 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 107.074 -1.454 . . . . 37.8 107.074 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -104.95 110.27 22.59 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 115.285 -0.87 . . . . 39.43 110.04 173.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.63 -177.26 28.69 Favored Glycine 0 C--O 1.252 1.263 0 CA-C-N 115.312 -0.858 . . . . 37.08 111.141 -174.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -97.8 155.03 17.23 Favored 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 124.739 0.905 . . . . 33.98 109.435 -175.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -128.4 145.46 51.08 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.619 -1.173 . . . . 24.9 110.048 -160.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . 0.321 65.4 p -141.3 160.99 38.95 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 126.687 1.995 . . . . 22.59 107.599 168.353 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -137.16 126.98 25.61 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 105.366 -2.087 . . . . 23.8 105.366 173.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -95.84 112.87 24.49 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 120.745 1.612 . . . . 27.27 108.902 162.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -57.51 -38.63 74.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.713 0.805 . . . . 32.98 110.779 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.52 73.98 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 116.089 1.885 . . . . 33.01 116.089 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -112.53 -2.05 14.74 Favored 'General case' 0 C--O 1.26 1.647 0 N-CA-C 112.895 0.702 . . . . 32.06 112.895 -176.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm 56.42 38.25 29.54 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.595 1.188 . . . . 30.2 110.718 176.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -120.1 134.7 55.18 Favored 'General case' 0 CA--C 1.48 -1.727 0 CA-C-N 114.865 -1.061 . . . . 24.55 109.034 -173.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -106.9 168.38 9.23 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 103.827 -2.657 . . . . 22.5 103.827 170.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.48 141.52 28.41 Favored 'General case' 0 N--CA 1.412 -2.341 0 N-CA-C 102.525 -3.139 . . . . 24.02 102.525 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.09 118.58 41.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 N-CA-C 104.827 -2.286 . . . . 25.34 104.827 170.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.7 m -119.56 128.58 54.05 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 105.852 -1.907 . . . . 29.1 105.852 177.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 122.5 1.143 . . . . 35.17 109.852 172.9 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 C--O 1.194 -1.865 0 N-CA-C 107.647 -1.242 . . . . 63.22 107.647 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' THR . . . . . . . . . . . . . 59.4 m -103.26 128.88 50.15 Favored 'General case' 0 CA--C 1.493 -1.227 0 O-C-N 120.645 -1.284 . . . . 38.96 109.496 -166.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -127.92 141.66 51.48 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.497 1.141 . . . . 32.67 112.287 -177.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.03 146.62 33.64 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 108.151 -1.055 . . . . 38.63 108.151 -174.604 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 24.9 tp -122.02 136.93 54.96 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 107.813 -1.181 . . . . 51.44 107.813 157.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mm -105.61 125.8 60.91 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 N-CA-C 104.854 -2.276 . . . . 63.13 104.854 171.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mt -110.48 119.65 39.87 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.87 1.668 . . . . 72.01 112.3 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.21 45.47 2.42 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 122.038 0.923 . . . . 80.96 110.844 174.802 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' GLY . . . . . 0.425 ' O ' ' NZ ' ' C' ' 13' ' ' LYS . . . -72.78 157.87 52.79 Favored Glycine 0 CA--C 1.502 -0.749 0 N-CA-C 108.953 -1.659 . . . . 80.5 108.953 176.499 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -85.24 -2.59 58.22 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.312 1.227 . . . . 99.42 114.312 -166.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.08 -7.08 3.47 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.217 0.821 . . . . 96.14 113.217 164.494 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -131.19 113.73 14.22 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 108.771 -0.826 . . . . 89.53 108.771 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LYS . . . . . 0.425 ' NZ ' ' O ' ' C' ' 9' ' ' GLY . 51.9 mmtt -109.7 147.92 32.29 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 124.034 0.834 . . . . 83.36 110.174 166.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' GLY . . . . . . . . . . . . . . . 179.83 172.44 43.86 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 116.969 1.547 . . . . 72.16 116.969 -178.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.2 132.08 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-N 113.628 -1.286 . . . . 65.06 108.416 164.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 mt -121.97 129.54 52.58 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 105.835 -1.913 . . . . 58.06 105.835 172.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -101.85 152.69 20.59 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 102.508 -3.145 . . . . 51.23 102.508 167.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 7.9 tt -151.51 141.96 15.78 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 N-CA-C 103.447 -2.797 . . . . 43.61 103.447 -168.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -104.86 136.14 44.91 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 105.775 -1.935 . . . . 45.16 105.775 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.87 138.61 5.96 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 118.455 -0.784 . . . . 37.23 111.132 -169.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.58 -31.38 15.76 Favored 'Isoleucine or valine' 0 C--O 1.254 1.318 0 N-CA-C 114.301 1.223 . . . . 45.89 114.301 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -158.38 161.12 37.53 Favored 'General case' 0 C--O 1.273 2.334 0 O-C-N 124.509 1.13 . . . . 37.42 113.102 -175.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.28 -35.61 67.67 Favored 'General case' 0 N--CA 1.519 3.019 0 N-CA-C 116.634 2.087 . . . . 29.29 116.634 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.73 -46.38 59.08 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.504 0.668 . . . . 31.97 110.437 171.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 51.8 m -76.27 -45.91 30.44 Favored 'General case' 0 C--O 1.251 1.16 0 N-CA-C 113.188 0.811 . . . . 31.95 113.188 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.57 14.73 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 119.314 -0.954 . . . . 36.59 110.767 165.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -66.65 -52.18 47.86 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.003 -1.061 . . . . 47.61 110.124 -174.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -57.25 -41.35 79.46 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 123.879 0.737 . . . . 66.77 112.593 -176.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -77.86 -23.45 48.85 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.091 0.775 . . . . 65.71 113.091 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -77.03 -38.66 52.41 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.086 1.143 . . . . 60.16 114.086 172.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -68.12 -27.28 66.32 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 120.804 0.335 . . . . 60.86 110.814 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -64.4 0.86 Allowed 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.362 -0.835 . . . . 66.61 111.329 174.011 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -49.2 -22.0 0.91 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.654 -1.157 . . . . 68.1 111.304 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.17 -46.22 43.62 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 113.4 0.889 . . . . 65.24 113.4 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.27 -41.55 69.89 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.66 -0.686 . . . . 79.4 111.706 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.05 -41.55 78.91 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.279 0.632 . . . . 83.28 111.981 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -30.79 27.57 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 115.608 -0.723 . . . . 97.07 111.343 177.673 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.25 -41.61 0.51 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 117.997 1.959 . . . . 96.47 117.997 163.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 29.9 m -81.92 121.36 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 118.803 2.89 . . . . 97.21 118.803 -147.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -69.82 143.55 52.87 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 102.546 -3.131 . . . . 85.74 102.546 150.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . -168.45 -169.46 31.92 Favored Glycine 0 C--O 1.239 0.452 0 C-N-CA 119.903 -1.141 . . . . 79.18 115.206 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -112.62 97.44 6.58 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.084 -1.08 . . . . 82.61 108.084 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -76.22 133.69 40.06 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 114.157 -1.383 . . . . 58.31 112.004 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.07 148.1 49.77 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 108.441 -0.948 . . . . 44.45 108.441 175.799 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -120.52 126.93 51.59 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.832 0.742 . . . . 34.26 112.458 171.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -107.98 87.53 2.52 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 108.051 -1.092 . . . . 40.32 108.051 171.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -32.75 -40.92 0.06 Allowed 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 117.125 2.268 . . . . 47.56 117.125 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.33 -14.1 33.82 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 114.141 1.163 . . . . 36.73 114.141 -167.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -108.69 6.77 26.06 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.541 -0.742 . . . . 37.42 111.177 168.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm 52.69 23.21 2.57 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 117.934 2.568 . . . . 35.08 117.934 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' THR . . . . . . . . . . . . . 75.0 m -115.52 122.36 45.46 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 123.151 0.58 . . . . 35.37 112.191 -163.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -91.85 136.54 33.07 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 122.787 0.435 . . . . 42.62 112.03 176.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 8.8 m -122.87 129.13 51.27 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.124 1.527 . . . . 50.83 115.124 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.13 136.72 56.28 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-N 115.493 -0.776 . . . . 64.01 111.549 163.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' THR . . . . . . . . . . . . . 53.4 m -136.9 147.55 46.51 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.121 0.486 . . . . 80.37 111.731 -178.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 CA--C 1.545 0.752 0 CA-C-N 114.656 -1.156 . . . . 104.21 111.483 172.393 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.714 0 N-CA-C 114.292 1.219 . . . . 68.93 114.292 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 7.9 m -73.87 138.5 44.4 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.35 1.06 . . . . 49.9 112.969 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -129.9 140.71 50.91 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 113.79 1.034 . . . . 44.25 113.79 167.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.33 145.42 27.36 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 124.049 0.843 . . . . 45.93 110.203 179.467 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tp -129.8 124.19 32.77 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.258 -1.337 . . . . 51.12 108.992 159.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 24.7 mm -93.58 115.91 33.52 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 CA-C-O 121.814 0.816 . . . . 60.83 112.178 163.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' LEU . . . . . . . . . . . . . 13.1 mt -83.86 112.82 20.47 Favored 'General case' 0 C--O 1.253 1.245 0 CA-C-N 114.734 -1.121 . . . . 70.3 109.974 169.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ASN . . . . . 0.434 ' OD1' ' NZ ' ' D' ' 13' ' ' LYS . 7.9 t-20 -106.03 66.13 0.71 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 105.904 -1.888 . . . . 73.35 105.904 166.069 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' GLY . . . . . 0.408 ' O ' ' NZ ' ' D' ' 13' ' ' LYS . . . -76.94 -172.84 37.19 Favored Glycine 0 C--O 1.216 -1.028 0 CA-C-N 115.365 -0.834 . . . . 75.8 111.193 176.764 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -89.97 -64.76 1.09 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.15 -2.167 . . . . 92.05 105.15 166.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 44.1 m -66.29 -52.14 50.4 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.279 1.032 . . . . 82.93 108.388 -177.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -106.34 115.05 29.54 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.139 -0.937 . . . . 76.74 112.105 -170.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' LYS . . . . . 0.434 ' NZ ' ' OD1' ' D' ' 8' ' ' ASN . 73.9 mmtt -97.15 166.91 11.35 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 109.056 -0.72 . . . . 73.47 109.056 164.605 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 149.3 -166.15 29.51 Favored Glycine 0 C--O 1.243 0.704 0 N-CA-C 121.759 3.464 . . . . 69.23 121.759 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 t -142.68 124.59 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 CA-C-N 112.626 -1.787 . . . . 63.45 107.315 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 58.3 mt -111.2 150.48 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 118.651 -1.22 . . . . 64.61 110.321 166.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.64 159.37 26.64 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.272 -0.422 . . . . 60.06 110.555 171.468 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -155.15 153.53 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.044 0 N-CA-C 108.842 -0.799 . . . . 54.37 108.842 162.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.48 80.73 9.13 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.071 -1.877 . . . . 52.52 108.074 160.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.89 162.93 13.71 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.777 -0.823 . . . . 45.43 108.777 168.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 p -91.29 -14.38 8.7 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.568 0 C-N-CA 125.832 1.653 . . . . 45.99 114.786 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ASP . . . . . 0.65 ' OD2' ' O ' ' D' ' 101' ' ' HOH . 1.8 p30 -161.23 168.55 23.91 Favored 'General case' 0 N--CA 1.513 2.699 0 C-N-CA 123.49 0.716 . . . . 44.61 110.258 166.416 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.39 -52.13 17.69 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 112.902 0.704 . . . . 38.88 112.902 171.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.07 -42.06 79.93 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 114.205 1.187 . . . . 39.2 114.205 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -41.06 64.63 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 106.848 -1.538 . . . . 41.56 106.848 177.617 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.62 -50.83 59.5 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 114.974 1.472 . . . . 39.09 114.974 173.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -55.01 -46.78 75.25 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 125.871 1.668 . . . . 44.64 111.859 177.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -53.8 -57.5 10.68 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.27 1.428 . . . . 64.84 111.358 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -63.43 -37.75 88.48 Favored 'General case' 0 CA--C 1.491 -1.318 0 C-N-CA 123.722 0.809 . . . . 82.15 112.101 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -68.96 -41.96 77.28 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.925 0.713 . . . . 60.25 112.925 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -67.39 -25.73 66.1 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 112.345 0.498 . . . . 66.63 112.345 169.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -45.12 51.77 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 108.926 -0.768 . . . . 93.49 108.926 174.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -65.61 -52.85 48.88 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.807 -0.812 . . . . 90.43 108.807 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.17 68.28 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 115.804 1.779 . . . . 74.93 115.804 -175.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -81.86 -44.68 16.55 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.696 -0.853 . . . . 82.09 108.696 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -56.78 -7.87 0.51 Allowed 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 115.143 1.534 . . . . 85.15 115.143 167.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -103.35 4.34 36.24 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 116.548 2.055 . . . . 85.37 116.548 170.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.13 20.08 76.1 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 115.22 0.848 . . . . 83.15 115.22 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 43.3 t -105.48 94.18 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 122.66 0.384 . . . . 80.69 110.111 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -90.18 116.08 27.9 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 106.069 -1.826 . . . . 92.17 106.069 168.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.25 -168.36 18.28 Favored Glycine 0 N--CA 1.487 2.051 0 C-N-CA 123.611 0.624 . . . . 85.07 112.102 169.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -105.94 160.47 15.24 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 114.074 1.139 . . . . 74.96 114.074 173.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -119.81 135.42 54.87 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.999 1.851 . . . . 63.48 115.999 -158.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' THR . . . . . 0.555 ' OG1' ' OG1' ' D' ' 53' ' ' THR . 1.3 m -103.76 140.35 37.75 Favored 'General case' 0 C--O 1.195 -1.806 0 C-N-CA 126.177 1.791 . . . . 52.04 106.717 173.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' TYR . . . . . 0.463 ' CE2' ' CB ' ' D' ' 47' ' ' ASP . 29.8 t80 -135.01 116.39 14.58 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 120.029 1.286 . . . . 43.12 108.15 158.706 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -111.48 124.51 52.43 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 105.309 -2.108 . . . . 40.33 105.309 169.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' ASP . . . . . 0.463 ' CB ' ' CE2' ' D' ' 45' ' ' TYR . 0.5 OUTLIER -103.0 2.74 35.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 114.921 1.452 . . . . 45.63 114.921 -171.066 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.13 -40.67 52.19 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 121.844 0.831 . . . . 50.41 109.147 172.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' THR . . . . . . . . . . . . . 68.4 p -95.94 10.48 37.17 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 113.758 -1.565 . . . . 50.92 114.049 170.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mttm 42.01 47.62 3.86 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.157 1.383 . . . . 43.6 114.714 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 17.7 m -125.63 124.83 42.05 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.842 0.83 . . . . 41.75 111.597 -166.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -90.74 152.51 20.79 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 113.512 -1.676 . . . . 47.9 106.69 163.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 53' ' ' THR . . . . . 0.555 ' OG1' ' OG1' ' D' ' 44' ' ' THR . 67.4 p -144.11 136.97 27.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.065 0.946 . . . . 55.89 109.502 162.51 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 54' ' ' VAL . . . . . . . . . . . . . 5.9 p -117.02 140.46 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 123.589 0.556 . . . . 59.73 111.73 169.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 55' ' ' THR . . . . . . . . . . . . . 27.1 m -136.27 99.05 4.0 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 112.391 0.515 . . . . 72.14 112.391 -174.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.487 1.386 0 C-N-CA 124.286 1.034 . . . . 80.72 112.024 169.115 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.621 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . 0.503 ' O ' ' ND1' ' A' ' 12' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.491 ' O ' ' C ' ' B' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . 0.425 ' O ' ' NZ ' ' B' ' 31' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . 0.65 ' O ' ' OD2' ' D' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 106.999 -1.482 . . . . 46.54 106.999 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . 0.479 HG21 HG21 ' C' ' 2' ' ' THR . 75.7 m -85.38 123.88 31.35 Favored 'General case' 0 CA--C 1.57 1.748 0 C-N-CA 124.188 0.995 . . . . 32.35 112.92 175.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -115.96 142.24 47.05 Favored 'General case' 0 CA--C 1.485 -1.529 0 N-CA-C 103.623 -2.732 . . . . 27.2 103.623 171.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -113.16 154.45 26.65 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 105.969 -1.863 . . . . 24.5 105.969 176.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp -127.33 132.84 50.17 Favored 'General case' 0 C--O 1.263 1.785 0 C-N-CA 128.408 2.683 . . . . 20.52 108.671 172.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . 0.606 HD13 HG22 ' A' ' 15' ' ' VAL . 6.8 mm -102.47 124.02 56.16 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.445 0 N-CA-C 106.239 -1.763 . . . . 23.22 106.239 168.698 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LEU . . . . . 0.586 ' HB3' ' O ' ' A' ' 201' ' ' HOH . 2.5 mp -111.28 116.72 31.5 Favored 'General case' 0 CA--C 1.499 -1.018 0 O-C-N 120.986 -1.071 . . . . 28.61 108.719 172.26 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 215' ' ' HOH . 64.2 t30 -119.52 90.59 3.36 Favored 'General case' 0 N--CA 1.402 -2.86 0 N-CA-C 101.131 -3.655 . . . . 33.21 101.131 174.153 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.2 168.76 13.47 Favored Glycine 0 CA--C 1.475 -2.419 1 N-CA-C 102.71 -4.156 . . . . 27.41 102.71 -176.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -71.74 -34.23 69.34 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.069 0.766 . . . . 36.04 113.069 -179.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 m -111.04 -30.78 7.36 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 114.56 1.318 . . . . 34.44 114.56 175.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 203' ' ' HOH . 86.3 m-70 -106.86 125.26 50.78 Favored 'General case' 0 C--O 1.265 1.91 0 C-N-CA 125.01 1.324 . . . . 37.34 112.935 177.72 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE3' ' HB ' ' D' ' 49' ' ' THR . 3.9 mmtt -127.87 167.16 16.97 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 107.0 -1.481 . . . . 28.67 107.0 171.39 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.09 -169.79 34.8 Favored Glycine 0 C--O 1.241 0.585 0 CA-C-N 114.984 -1.007 . . . . 24.58 114.423 170.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . 0.606 HG22 HD13 ' A' ' 6' ' ' ILE . 43.5 t -135.79 125.33 40.69 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 C-N-CA 125.234 1.414 . . . . 23.09 107.459 170.153 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.26 12.0 mt -122.46 145.97 47.81 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.457 -2.053 . . . . 24.3 105.457 177.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -118.49 159.67 23.1 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 124.56 1.162 . . . . 25.53 108.607 168.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.5 tt -149.59 139.93 16.4 Favored 'Isoleucine or valine' 0 C--O 1.277 2.51 0 N-CA-C 105.86 -1.904 . . . . 28.24 105.86 -179.363 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -94.63 118.02 31.05 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 105.412 -2.07 . . . . 33.4 105.412 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.1 -178.9 5.55 Favored 'General case' 0 CA--C 1.487 -1.475 0 CA-C-O 121.726 0.774 . . . . 33.32 111.415 -177.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -106.93 -41.34 5.68 Favored 'Isoleucine or valine' 0 C--O 1.259 1.586 0 CA-C-N 113.678 -1.601 . . . . 35.04 108.86 -165.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -137.49 170.98 15.15 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 107.463 -1.31 . . . . 29.46 107.463 165.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.79 -20.75 62.56 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 115.819 -0.628 . . . . 24.87 111.189 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.55 65.6 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 112.641 0.608 . . . . 23.35 112.641 169.182 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.254 19.3 m -82.88 -37.19 24.65 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 105.669 -1.974 . . . . 21.09 105.669 -170.989 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -55.91 28.63 Favored 'General case' 0 C--O 1.203 -1.389 0 O-C-N 119.549 -1.969 . . . . 19.25 110.928 174.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -40.05 -63.36 0.61 Allowed 'General case' 0 C--O 1.263 1.792 0 N-CA-C 117.123 2.268 . . . . 20.15 117.123 172.508 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -33.52 -56.3 0.44 Allowed 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 115.594 1.702 . . . . 26.65 115.594 166.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -74.85 -57.9 3.62 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 105.846 -1.909 . . . . 31.1 105.846 -170.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CZ ' HG22 ' A' ' 18' ' ' ILE . 19.9 m-30 -55.57 -30.11 60.21 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 118.155 -1.418 . . . . 22.03 112.858 -179.318 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 70.8 mttt -78.01 -29.5 49.55 Favored 'General case' 0 C--O 1.261 1.709 0 CA-C-N 118.866 0.757 . . . . 25.19 111.48 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -72.23 -35.0 68.73 Favored 'General case' 0 C--O 1.186 -2.277 0 CA-C-O 122.33 1.062 . . . . 29.55 112.107 172.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . 0.675 ' CD2' ' CD2' ' B' ' 37' ' ' LEU . 1.3 m-70 -73.17 -30.01 63.26 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.831 -1.168 . . . . 43.82 110.486 179.424 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.58 -66.13 0.52 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 123.14 0.576 . . . . 32.97 112.183 167.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -41.54 -50.28 4.02 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 118.918 -0.563 . . . . 35.93 112.083 173.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -53.63 -39.89 65.34 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.252 -1.388 . . . . 31.65 107.252 -173.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 214' ' ' HOH . 93.5 mt -75.02 -29.23 60.78 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 114.247 1.202 . . . . 32.92 114.247 -178.61 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.09 25.45 7.92 Favored Glycine 0 N--CA 1.421 -2.354 0 N-CA-C 109.218 -1.553 . . . . 35.49 109.218 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.19 113.37 29.46 Favored 'Isoleucine or valine' 0 C--O 1.26 1.652 0 N-CA-C 105.248 -2.13 . . . . 36.98 105.248 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -109.85 118.17 35.77 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 103.43 -2.804 . . . . 39.63 103.43 162.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.85 -164.74 12.21 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 118.226 2.05 . . . . 35.84 118.226 173.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -91.73 132.28 36.5 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 104.944 -2.243 . . . . 45.23 104.944 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 66.4 m95 -105.23 140.38 38.46 Favored 'General case' 0 C--O 1.182 -2.491 0 C-N-CA 126.525 1.93 . . . . 25.36 110.718 -175.863 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.2 p -134.52 157.06 47.48 Favored 'General case' 0 N--CA 1.42 -1.944 0 O-C-N 120.598 -1.314 . . . . 21.16 109.293 161.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -132.13 121.38 23.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.411 1.084 . . . . 23.59 109.014 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.82 117.45 34.05 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 104.77 -2.308 . . . . 28.42 104.77 171.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -65.42 -36.23 83.3 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 114.826 1.417 . . . . 36.83 114.826 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.98 88.31 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.934 -1.104 . . . . 35.06 111.207 -173.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.9 p -98.41 5.88 47.74 Favored 'General case' 0 C--O 1.275 2.396 0 N-CA-C 115.757 1.762 . . . . 31.05 115.757 175.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm 51.49 52.54 14.5 Favored 'General case' 0 C--O 1.208 -1.13 0 N-CA-C 114.065 1.135 . . . . 36.75 114.065 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.7 m -134.74 120.39 19.4 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 109.362 -0.607 . . . . 22.64 109.362 -168.105 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -92.87 141.23 28.66 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 103.826 -2.657 . . . . 18.87 103.826 173.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.4 m -116.14 148.71 40.05 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 103.745 -2.687 . . . . 19.09 103.745 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 p -145.16 134.02 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.217 0 N-CA-C 101.24 -3.615 . . . . 20.16 101.24 164.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -136.49 120.23 17.31 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 126.805 2.565 . . . . 25.11 106.696 -166.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.494 1.735 0 C-N-CA 124.175 0.99 . . . . 37.76 109.863 178.813 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' B' ' 124' ' ' HOH . 1.6 ttp . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.925 0.869 . . . . 37.99 109.211 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -93.17 129.46 39.17 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.809 -0.632 . . . . 26.45 109.528 -175.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CE2' ' HD2' ' B' ' 50' ' ' LYS . 62.2 m-85 -116.61 149.03 40.37 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 106.146 -1.798 . . . . 25.84 106.146 173.203 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.357 3.4 mppt? -109.39 143.33 39.1 Favored 'General case' 0 CA--C 1.483 -1.634 0 C-N-CA 127.805 2.442 . . . . 24.58 106.62 174.949 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 tp -126.0 116.04 20.83 Favored 'General case' 0 N--CA 1.436 -1.135 0 O-C-N 125.737 1.898 . . . . 22.46 105.918 166.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . 0.479 HD13 HG13 ' B' ' 15' ' ' VAL . 29.3 mm -93.55 105.71 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 N-CA-C 105.639 -1.986 . . . . 25.11 105.639 174.126 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mt -87.28 123.16 31.97 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.933 1.293 . . . . 30.24 113.568 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -138.57 69.35 1.38 Allowed 'General case' 0 N--CA 1.422 -1.829 0 C-N-CA 117.575 -1.65 . . . . 30.98 114.801 179.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.17 -178.41 35.91 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 111.851 -2.431 . . . . 37.05 115.363 166.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -83.88 -31.65 25.61 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-O 122.533 1.159 . . . . 38.8 111.548 -168.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -101.0 -29.4 12.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.805 -0.758 . . . . 36.42 110.609 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -125.37 134.4 52.19 Favored 'General case' 0 C--O 1.266 1.929 0 N-CA-C 109.29 -0.634 . . . . 40.89 109.29 -170.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -130.8 153.17 49.35 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 106.329 -1.73 . . . . 29.94 106.329 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.52 165.02 36.86 Favored Glycine 0 CA--C 1.47 -2.743 0 C-N-CA 115.26 -3.353 . . . . 26.21 113.082 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' VAL . . . . . 0.572 HG21 ' C ' ' C' ' 14' ' ' GLY . 8.2 t -122.42 109.54 24.4 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 O-C-N 126.424 1.897 . . . . 26.59 110.625 149.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' B' ' 101' ' ' HOH . 4.0 mt -93.13 163.21 13.72 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.194 0.906 . . . . 25.09 108.565 169.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 34.9 p -127.4 152.4 47.56 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 107.147 -1.427 . . . . 25.42 107.147 159.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 9.9 tt -142.38 135.78 27.8 Favored 'Isoleucine or valine' 0 C--O 1.271 2.196 0 N-CA-C 105.985 -1.857 . . . . 24.55 105.985 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -91.41 118.38 30.49 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 112.526 -2.124 . . . . 27.72 105.638 168.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.2 154.19 51.01 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 122.686 1.231 . . . . 26.74 110.619 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . 0.371 0.5 OUTLIER -63.1 -48.33 88.32 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 N-CA-C 106.128 -1.804 . . . . 28.92 106.128 179.574 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASP . . . . . 0.68 ' OD1' ' OG1' ' B' ' 25' ' ' THR . 0.5 OUTLIER -139.33 -173.29 3.56 Favored 'General case' 0 N--CA 1.531 3.614 0 N-CA-C 117.153 2.279 . . . . 31.19 117.153 -176.485 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.56 -30.62 33.0 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 119.869 -1.769 . . . . 29.46 113.278 -176.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.29 -31.26 67.24 Favored 'General case' 0 N--CA 1.406 -2.632 0 CA-C-N 113.413 -1.721 . . . . 26.59 107.614 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' THR . . . . . 0.68 ' OG1' ' OD1' ' B' ' 22' ' ' ASP . 5.9 m -74.11 -51.15 16.54 Favored 'General case' 0 CA--C 1.476 -1.871 0 O-C-N 123.837 0.711 . . . . 23.49 111.535 -179.033 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.69 70.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 CA-C-O 118.679 -0.677 . . . . 23.36 109.984 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -67.9 -38.26 82.74 Favored 'General case' 0 N--CA 1.413 -2.313 0 O-C-N 123.951 0.782 . . . . 22.68 109.966 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -67.68 -47.47 69.38 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 123.717 0.807 . . . . 29.21 110.637 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' B' ' 33' ' ' HIS . 49.7 m170 -65.08 -30.32 71.27 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 112.577 0.584 . . . . 31.81 112.577 174.988 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' B' ' 101' ' ' HOH . 2.8 m-85 -81.0 -47.1 14.07 Favored 'General case' 0 CA--C 1.483 -1.611 0 N-CA-C 108.291 -1.003 . . . . 22.44 108.291 -172.931 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -65.62 -30.42 71.13 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.351 -0.939 . . . . 24.88 110.084 178.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -64.21 -54.17 37.68 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.19 -1.041 . . . . 33.72 108.19 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' B' ' 29' ' ' HIS . 2.4 m-70 -49.6 -62.79 1.36 Allowed 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.756 0.823 . . . . 35.0 109.312 174.043 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.81 -31.43 11.72 Favored 'General case' 0 N--CA 1.518 2.925 0 N-CA-C 115.337 1.606 . . . . 30.83 115.337 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -74.64 -33.71 62.6 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 115.62 1.711 . . . . 39.53 115.62 166.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.2 -27.39 69.32 Favored 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 118.101 -1.44 . . . . 31.74 111.863 173.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LEU . . . . . 0.675 ' CD2' ' CD2' ' A' ' 33' ' ' HIS . 51.3 mt -79.74 -5.29 54.96 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 116.096 1.887 . . . . 36.82 116.096 175.076 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.55 43.01 90.9 Favored Glycine 0 N--CA 1.496 2.659 0 C-N-CA 119.143 -1.503 . . . . 38.19 114.419 -164.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 90.4 t -110.44 100.64 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 107.074 -1.454 . . . . 37.8 107.074 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' ASP . . . . . 0.539 ' O ' ' HG3' ' B' ' 56' ' ' GLU . 25.6 t0 -104.95 110.27 22.59 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 115.285 -0.87 . . . . 39.43 110.04 173.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.63 -177.26 28.69 Favored Glycine 0 C--O 1.252 1.263 0 CA-C-N 115.312 -0.858 . . . . 37.08 111.141 -174.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -97.8 155.03 17.23 Favored 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 124.739 0.905 . . . . 33.98 109.435 -175.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -128.4 145.46 51.08 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.619 -1.173 . . . . 24.9 110.048 -160.776 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . 0.321 65.4 p -141.3 160.99 38.95 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 126.687 1.995 . . . . 22.59 107.599 168.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -137.16 126.98 25.61 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 105.366 -2.087 . . . . 23.8 105.366 173.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -95.84 112.87 24.49 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 120.745 1.612 . . . . 27.27 108.902 162.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -57.51 -38.63 74.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.713 0.805 . . . . 32.98 110.779 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.52 73.98 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 116.089 1.885 . . . . 33.01 116.089 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -112.53 -2.05 14.74 Favored 'General case' 0 C--O 1.26 1.647 0 N-CA-C 112.895 0.702 . . . . 32.06 112.895 -176.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LYS . . . . . 0.43 ' HD2' ' CE2' ' B' ' 3' ' ' TYR . 24.6 mmtm 56.42 38.25 29.54 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.595 1.188 . . . . 30.2 110.718 176.447 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -120.1 134.7 55.18 Favored 'General case' 0 CA--C 1.48 -1.727 0 CA-C-N 114.865 -1.061 . . . . 24.55 109.034 -173.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -106.9 168.38 9.23 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 103.827 -2.657 . . . . 22.5 103.827 170.53 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.48 141.52 28.41 Favored 'General case' 0 N--CA 1.412 -2.341 0 N-CA-C 102.525 -3.139 . . . . 24.02 102.525 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.09 118.58 41.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 N-CA-C 104.827 -2.286 . . . . 25.34 104.827 170.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.7 m -119.56 128.58 54.05 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 105.852 -1.907 . . . . 29.1 105.852 177.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' B' ' 40' ' ' ASP . 1.2 tt0 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 122.5 1.143 . . . . 35.17 109.852 172.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 C--O 1.194 -1.865 0 N-CA-C 107.647 -1.242 . . . . 63.22 107.647 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' THR . . . . . 0.479 HG21 HG21 ' A' ' 2' ' ' THR . 59.4 m -103.26 128.88 50.15 Favored 'General case' 0 CA--C 1.493 -1.227 0 O-C-N 120.645 -1.284 . . . . 38.96 109.496 -166.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' C' ' 17' ' ' THR . 80.0 m-85 -127.92 141.66 51.48 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.497 1.141 . . . . 32.67 112.287 -177.226 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' LYS . . . . . 0.433 ' HB2' HG23 ' C' ' 51' ' ' THR . 0.1 OUTLIER -109.03 146.62 33.64 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 108.151 -1.055 . . . . 38.63 108.151 -174.604 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 5' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' C' ' 52' ' ' PHE . 24.9 tp -122.02 136.93 54.96 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 107.813 -1.181 . . . . 51.44 107.813 157.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ILE . . . . . 0.483 HD13 HG22 ' C' ' 15' ' ' VAL . 32.0 mm -105.61 125.8 60.91 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 N-CA-C 104.854 -2.276 . . . . 63.13 104.854 171.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mt -110.48 119.65 39.87 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.87 1.668 . . . . 72.01 112.3 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.21 45.47 2.42 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 122.038 0.923 . . . . 80.96 110.844 174.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.78 157.87 52.79 Favored Glycine 0 CA--C 1.502 -0.749 0 N-CA-C 108.953 -1.659 . . . . 80.5 108.953 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -85.24 -2.59 58.22 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.312 1.227 . . . . 99.42 114.312 -166.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.08 -7.08 3.47 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.217 0.821 . . . . 96.14 113.217 164.494 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -131.19 113.73 14.22 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 108.771 -0.826 . . . . 89.53 108.771 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -109.7 147.92 32.29 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 124.034 0.834 . . . . 83.36 110.174 166.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' GLY . . . . . 0.572 ' C ' HG21 ' B' ' 15' ' ' VAL . . . 179.83 172.44 43.86 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 116.969 1.547 . . . . 72.16 116.969 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 15' ' ' VAL . . . . . 0.483 HG22 HD13 ' C' ' 6' ' ' ILE . 2.1 t -133.2 132.08 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-N 113.628 -1.286 . . . . 65.06 108.416 164.485 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 mt -121.97 129.54 52.58 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 105.835 -1.913 . . . . 58.06 105.835 172.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' C' ' 3' ' ' TYR . 18.2 p -101.85 152.69 20.59 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 102.508 -3.145 . . . . 51.23 102.508 167.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 7.9 tt -151.51 141.96 15.78 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 N-CA-C 103.447 -2.797 . . . . 43.61 103.447 -168.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -104.86 136.14 44.91 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 105.775 -1.935 . . . . 45.16 105.775 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.87 138.61 5.96 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 118.455 -0.784 . . . . 37.23 111.132 -169.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.58 -31.38 15.76 Favored 'Isoleucine or valine' 0 C--O 1.254 1.318 0 N-CA-C 114.301 1.223 . . . . 45.89 114.301 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -158.38 161.12 37.53 Favored 'General case' 0 C--O 1.273 2.334 0 O-C-N 124.509 1.13 . . . . 37.42 113.102 -175.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.28 -35.61 67.67 Favored 'General case' 0 N--CA 1.519 3.019 0 N-CA-C 116.634 2.087 . . . . 29.29 116.634 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.73 -46.38 59.08 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.504 0.668 . . . . 31.97 110.437 171.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 51.8 m -76.27 -45.91 30.44 Favored 'General case' 0 C--O 1.251 1.16 0 N-CA-C 113.188 0.811 . . . . 31.95 113.188 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.57 14.73 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 119.314 -0.954 . . . . 36.59 110.767 165.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -66.65 -52.18 47.86 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.003 -1.061 . . . . 47.61 110.124 -174.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -57.25 -41.35 79.46 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 123.879 0.737 . . . . 66.77 112.593 -176.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -77.86 -23.45 48.85 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.091 0.775 . . . . 65.71 113.091 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -77.03 -38.66 52.41 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.086 1.143 . . . . 60.16 114.086 172.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -68.12 -27.28 66.32 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 120.804 0.335 . . . . 60.86 110.814 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -67.49 -64.4 0.86 Allowed 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.362 -0.835 . . . . 66.61 111.329 174.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -49.2 -22.0 0.91 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.654 -1.157 . . . . 68.1 111.304 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.17 -46.22 43.62 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 113.4 0.889 . . . . 65.24 113.4 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.27 -41.55 69.89 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.66 -0.686 . . . . 79.4 111.706 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.05 -41.55 78.91 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.279 0.632 . . . . 83.28 111.981 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -30.79 27.57 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 115.608 -0.723 . . . . 97.07 111.343 177.673 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.25 -41.61 0.51 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 117.997 1.959 . . . . 96.47 117.997 163.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 29.9 m -81.92 121.36 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 118.803 2.89 . . . . 97.21 118.803 -147.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -69.82 143.55 52.87 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 102.546 -3.131 . . . . 85.74 102.546 150.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . -168.45 -169.46 31.92 Favored Glycine 0 C--O 1.239 0.452 0 C-N-CA 119.903 -1.141 . . . . 79.18 115.206 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -112.62 97.44 6.58 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.084 -1.08 . . . . 82.61 108.084 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -76.22 133.69 40.06 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 114.157 -1.383 . . . . 58.31 112.004 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.07 148.1 49.77 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 108.441 -0.948 . . . . 44.45 108.441 175.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -120.52 126.93 51.59 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.832 0.742 . . . . 34.26 112.458 171.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -107.98 87.53 2.52 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 108.051 -1.092 . . . . 40.32 108.051 171.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -32.75 -40.92 0.06 Allowed 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 117.125 2.268 . . . . 47.56 117.125 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.33 -14.1 33.82 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 114.141 1.163 . . . . 36.73 114.141 -167.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -108.69 6.77 26.06 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.541 -0.742 . . . . 37.42 111.177 168.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm 52.69 23.21 2.57 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 117.934 2.568 . . . . 35.08 117.934 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 51' ' ' THR . . . . . 0.433 HG23 ' HB2' ' C' ' 4' ' ' LYS . 75.0 m -115.52 122.36 45.46 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 123.151 0.58 . . . . 35.37 112.191 -163.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 52' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' C' ' 5' ' ' LEU . 66.8 m-85 -91.85 136.54 33.07 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 122.787 0.435 . . . . 42.62 112.03 176.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 8.8 m -122.87 129.13 51.27 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.124 1.527 . . . . 50.83 115.124 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.13 136.72 56.28 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-N 115.493 -0.776 . . . . 64.01 111.549 163.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 55' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' C' ' 108' ' ' HOH . 53.4 m -136.9 147.55 46.51 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.121 0.486 . . . . 80.37 111.731 -178.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 CA--C 1.545 0.752 0 CA-C-N 114.656 -1.156 . . . . 104.21 111.483 172.393 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.714 0 N-CA-C 114.292 1.219 . . . . 68.93 114.292 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 7.9 m -73.87 138.5 44.4 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.35 1.06 . . . . 49.9 112.969 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -129.9 140.71 50.91 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 113.79 1.034 . . . . 44.25 113.79 167.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.33 145.42 27.36 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 124.049 0.843 . . . . 45.93 110.203 179.467 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tp -129.8 124.19 32.77 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.258 -1.337 . . . . 51.12 108.992 159.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ILE . . . . . 0.429 ' HB ' HG22 ' D' ' 53' ' ' THR . 24.7 mm -93.58 115.91 33.52 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 CA-C-O 121.814 0.816 . . . . 60.83 112.178 163.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 7' ' ' LEU . . . . . 0.448 HD23 ' CG1' ' D' ' 54' ' ' VAL . 13.1 mt -83.86 112.82 20.47 Favored 'General case' 0 C--O 1.253 1.245 0 CA-C-N 114.734 -1.121 . . . . 70.3 109.974 169.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ASN . . . . . 0.419 ' HB3' HG23 ' D' ' 55' ' ' THR . 7.9 t-20 -106.03 66.13 0.71 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 105.904 -1.888 . . . . 73.35 105.904 166.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 9' ' ' GLY . . . . . 0.423 ' HA2' ' HB2' ' D' ' 56' ' ' GLU . . . -76.94 -172.84 37.19 Favored Glycine 0 C--O 1.216 -1.028 0 CA-C-N 115.365 -0.834 . . . . 75.8 111.193 176.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -89.97 -64.76 1.09 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.15 -2.167 . . . . 92.05 105.15 166.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 44.1 m -66.29 -52.14 50.4 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.279 1.032 . . . . 82.93 108.388 -177.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' HIS . . . . . . . . . . . . . 58.6 m80 -106.34 115.05 29.54 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.139 -0.937 . . . . 76.74 112.105 -170.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -97.15 166.91 11.35 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 109.056 -0.72 . . . . 73.47 109.056 164.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 149.3 -166.15 29.51 Favored Glycine 0 C--O 1.243 0.704 0 N-CA-C 121.759 3.464 . . . . 69.23 121.759 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 t -142.68 124.59 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 CA-C-N 112.626 -1.787 . . . . 63.45 107.315 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 58.3 mt -111.2 150.48 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 118.651 -1.22 . . . . 64.61 110.321 166.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.64 159.37 26.64 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.272 -0.422 . . . . 60.06 110.555 171.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 18' ' ' ILE . . . . . 0.464 HG12 ' N ' ' D' ' 19' ' ' GLU . 0.1 OUTLIER -155.15 153.53 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.044 0 N-CA-C 108.842 -0.799 . . . . 54.37 108.842 162.887 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 19' ' ' GLU . . . . . 0.464 ' N ' HG12 ' D' ' 18' ' ' ILE . 6.6 mm-40 -84.48 80.73 9.13 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.071 -1.877 . . . . 52.52 108.074 160.289 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.89 162.93 13.71 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.777 -0.823 . . . . 45.43 108.777 168.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 p -91.29 -14.38 8.7 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.568 0 C-N-CA 125.832 1.653 . . . . 45.99 114.786 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ASP . . . . . 0.65 ' OD2' ' O ' ' D' ' 101' ' ' HOH . 1.8 p30 -161.23 168.55 23.91 Favored 'General case' 0 N--CA 1.513 2.699 0 C-N-CA 123.49 0.716 . . . . 44.61 110.258 166.416 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.39 -52.13 17.69 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 112.902 0.704 . . . . 38.88 112.902 171.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.07 -42.06 79.93 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 114.205 1.187 . . . . 39.2 114.205 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -41.06 64.63 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 106.848 -1.538 . . . . 41.56 106.848 177.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.62 -50.83 59.5 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 114.974 1.472 . . . . 39.09 114.974 173.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -55.01 -46.78 75.25 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 125.871 1.668 . . . . 44.64 111.859 177.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -53.8 -57.5 10.68 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.27 1.428 . . . . 64.84 111.358 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -63.43 -37.75 88.48 Favored 'General case' 0 CA--C 1.491 -1.318 0 C-N-CA 123.722 0.809 . . . . 82.15 112.101 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -68.96 -41.96 77.28 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.925 0.713 . . . . 60.25 112.925 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -67.39 -25.73 66.1 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 112.345 0.498 . . . . 66.63 112.345 169.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -45.12 51.77 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 108.926 -0.768 . . . . 93.49 108.926 174.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 33' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -65.61 -52.85 48.88 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.807 -0.812 . . . . 90.43 108.807 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.17 68.28 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 115.804 1.779 . . . . 74.93 115.804 -175.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -81.86 -44.68 16.55 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.696 -0.853 . . . . 82.09 108.696 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -56.78 -7.87 0.51 Allowed 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 115.143 1.534 . . . . 85.15 115.143 167.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -103.35 4.34 36.24 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 116.548 2.055 . . . . 85.37 116.548 170.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.13 20.08 76.1 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 115.22 0.848 . . . . 83.15 115.22 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 43.3 t -105.48 94.18 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 122.66 0.384 . . . . 80.69 110.111 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -90.18 116.08 27.9 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 106.069 -1.826 . . . . 92.17 106.069 168.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.25 -168.36 18.28 Favored Glycine 0 N--CA 1.487 2.051 0 C-N-CA 123.611 0.624 . . . . 85.07 112.102 169.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -105.94 160.47 15.24 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 114.074 1.139 . . . . 74.96 114.074 173.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -119.81 135.42 54.87 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.999 1.851 . . . . 63.48 115.999 -158.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -103.76 140.35 37.75 Favored 'General case' 0 C--O 1.195 -1.806 0 C-N-CA 126.177 1.791 . . . . 52.04 106.717 173.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 45' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' D' ' 47' ' ' ASP . 29.8 t80 -135.01 116.39 14.58 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 120.029 1.286 . . . . 43.12 108.15 158.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -111.48 124.51 52.43 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 105.309 -2.108 . . . . 40.33 105.309 169.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 47' ' ' ASP . . . . . 0.625 ' HB3' ' CE2' ' D' ' 45' ' ' TYR . 0.5 OUTLIER -103.0 2.74 35.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 114.921 1.452 . . . . 45.63 114.921 -171.066 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.13 -40.67 52.19 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 121.844 0.831 . . . . 50.41 109.147 172.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 49' ' ' THR . . . . . 0.407 ' HB ' ' HE3' ' A' ' 13' ' ' LYS . 68.4 p -95.94 10.48 37.17 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 113.758 -1.565 . . . . 50.92 114.049 170.037 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mttm 42.01 47.62 3.86 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.157 1.383 . . . . 43.6 114.714 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 17.7 m -125.63 124.83 42.05 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.842 0.83 . . . . 41.75 111.597 -166.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -90.74 152.51 20.79 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 113.512 -1.676 . . . . 47.9 106.69 163.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 53' ' ' THR . . . . . 0.429 HG22 ' HB ' ' D' ' 6' ' ' ILE . 67.4 p -144.11 136.97 27.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.065 0.946 . . . . 55.89 109.502 162.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 54' ' ' VAL . . . . . 0.448 ' CG1' HD23 ' D' ' 7' ' ' LEU . 5.9 p -117.02 140.46 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 123.589 0.556 . . . . 59.73 111.73 169.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 55' ' ' THR . . . . . 0.419 HG23 ' HB3' ' D' ' 8' ' ' ASN . 27.1 m -136.27 99.05 4.0 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 112.391 0.515 . . . . 72.14 112.391 -174.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 56' ' ' GLU . . . . . 0.423 ' HB2' ' HA2' ' D' ' 9' ' ' GLY . 3.5 mt-10 . . . . . 0 N--CA 1.487 1.386 0 C-N-CA 124.286 1.034 . . . . 80.72 112.024 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . 0.586 ' O ' ' HB3' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . 0.503 ' O ' ' ND1' ' A' ' 12' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . 0.474 ' O ' HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . 0.491 ' O ' ' C ' ' B' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . 0.628 ' O ' ' HG3' ' B' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 108' ' ' HOH . . . . . 0.426 ' O ' ' HB ' ' C' ' 55' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . 0.65 ' O ' ' OD2' ' D' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 106.999 -1.482 . . . . 46.539999999999999 106.999 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . 0.479 HG21 HG21 ' C' ' 2' ' ' THR . 75.7 m -85.38 123.88 31.35 Favored 'General case' 0 CA--C 1.57 1.748 0 C-N-CA 124.188 0.995 . . . . 32.350000000000001 112.92 175.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -115.96 142.24 47.05 Favored 'General case' 0 CA--C 1.485 -1.529 0 N-CA-C 103.623 -2.732 . . . . 27.199999999999999 103.623 171.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -113.16 154.45 26.65 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 105.969 -1.863 . . . . 24.5 105.969 176.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.5 tp -127.33 132.84 50.17 Favored 'General case' 0 C--O 1.263 1.785 0 C-N-CA 128.408 2.683 . . . . 20.52 108.671 172.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.606 HD13 HG22 ' A' ' 15' ' ' VAL . 6.8 mm -102.47 124.02 56.16 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.445 0 N-CA-C 106.239 -1.763 . . . . 23.219999999999999 106.239 168.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.586 ' HB3' ' O ' ' A' ' 201' ' ' HOH . 2.5 mp -111.28 116.72 31.5 Favored 'General case' 0 CA--C 1.499 -1.018 0 O-C-N 120.986 -1.071 . . . . 28.609999999999999 108.719 172.26 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.411 ' HB2' ' O ' ' A' ' 215' ' ' HOH . 64.2 t30 -119.52 90.59 3.36 Favored 'General case' 0 N--CA 1.402 -2.86 0 N-CA-C 101.131 -3.655 . . . . 33.210000000000001 101.131 174.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.2 168.76 13.47 Favored Glycine 0 CA--C 1.475 -2.419 1 N-CA-C 102.71 -4.156 . . . . 27.41 102.71 -176.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.2 mttp -71.74 -34.23 69.34 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 113.069 0.766 . . . . 36.039999999999999 113.069 -179.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.8 m -111.04 -30.78 7.36 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 114.56 1.318 . . . . 34.439999999999998 114.56 175.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.503 ' ND1' ' O ' ' A' ' 203' ' ' HOH . 86.3 m-70 -106.86 125.26 50.78 Favored 'General case' 0 C--O 1.265 1.91 0 C-N-CA 125.01 1.324 . . . . 37.340000000000003 112.935 177.72 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE3' ' HB ' ' D' ' 49' ' ' THR . 3.9 mmtt -127.87 167.16 16.97 Favored 'General case' 0 CA--C 1.503 -0.848 0 N-CA-C 107.0 -1.481 . . . . 28.670000000000002 107.0 171.39 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 158.09 -169.79 34.8 Favored Glycine 0 C--O 1.241 0.585 0 CA-C-N 114.984 -1.007 . . . . 24.579999999999998 114.423 170.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.606 HG22 HD13 ' A' ' 6' ' ' ILE . 43.5 t -135.79 125.33 40.69 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.758 0 C-N-CA 125.234 1.414 . . . . 23.09 107.459 170.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . 0.26 12.0 mt -122.46 145.97 47.81 Favored 'General case' 0 C--N 1.304 -1.373 0 N-CA-C 105.457 -2.053 . . . . 24.300000000000001 105.457 177.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.5 p -118.49 159.67 23.1 Favored 'General case' 0 CA--C 1.498 -1.039 0 O-C-N 124.56 1.162 . . . . 25.530000000000001 108.607 168.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.431 HG22 ' CZ ' ' A' ' 30' ' ' PHE . 4.5 tt -149.59 139.93 16.4 Favored 'Isoleucine or valine' 0 C--O 1.277 2.51 0 N-CA-C 105.86 -1.904 . . . . 28.239999999999998 105.86 -179.363 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -94.63 118.02 31.05 Favored 'General case' 0 N--CA 1.437 -1.115 0 N-CA-C 105.412 -2.07 . . . . 33.399999999999999 105.412 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -139.1 -178.9 5.55 Favored 'General case' 0 CA--C 1.487 -1.475 0 CA-C-O 121.726 0.774 . . . . 33.32 111.415 -177.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -106.93 -41.34 5.68 Favored 'Isoleucine or valine' 0 C--O 1.259 1.586 0 CA-C-N 113.678 -1.601 . . . . 35.039999999999999 108.86 -165.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.2 p30 -137.49 170.98 15.15 Favored 'General case' 0 N--CA 1.437 -1.089 0 N-CA-C 107.463 -1.31 . . . . 29.460000000000001 107.463 165.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.79 -20.75 62.56 Favored 'General case' 0 C--O 1.26 1.649 0 CA-C-N 115.819 -0.628 . . . . 24.870000000000001 111.189 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.96 -42.55 65.6 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 112.641 0.608 . . . . 23.350000000000001 112.641 169.182 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . 0.254 19.3 m -82.88 -37.19 24.65 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 105.669 -1.974 . . . . 21.09 105.669 -170.989 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.49 -55.91 28.63 Favored 'General case' 0 C--O 1.203 -1.389 0 O-C-N 119.549 -1.969 . . . . 19.25 110.928 174.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -40.05 -63.36 0.61 Allowed 'General case' 0 C--O 1.263 1.792 0 N-CA-C 117.123 2.268 . . . . 20.149999999999999 117.123 172.508 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.2 tttt -33.52 -56.3 0.44 Allowed 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 115.594 1.702 . . . . 26.649999999999999 115.594 166.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 35.7 m80 -74.85 -57.9 3.62 Favored 'General case' 0 C--O 1.245 0.856 0 N-CA-C 105.846 -1.909 . . . . 31.100000000000001 105.846 -170.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.431 ' CZ ' HG22 ' A' ' 18' ' ' ILE . 19.9 m-30 -55.57 -30.11 60.21 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 118.155 -1.418 . . . . 22.030000000000001 112.858 -179.318 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HG2' ' CZ2' ' A' ' 43' ' ' TRP . 70.8 mttt -78.01 -29.5 49.55 Favored 'General case' 0 C--O 1.261 1.709 0 CA-C-N 118.866 0.757 . . . . 25.190000000000001 111.48 -179.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -72.23 -35.0 68.73 Favored 'General case' 0 C--O 1.186 -2.277 0 CA-C-O 122.33 1.062 . . . . 29.550000000000001 112.107 172.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.621 ' CD2' ' O ' ' A' ' 202' ' ' HOH . 19.2 m170 -73.17 -30.01 63.26 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 120.831 -1.168 . . . . 43.82 110.486 179.424 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.58 -66.13 0.52 Allowed 'General case' 0 N--CA 1.435 -1.214 0 C-N-CA 123.14 0.576 . . . . 32.969999999999999 112.183 167.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -41.54 -50.28 4.02 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-O 118.918 -0.563 . . . . 35.93 112.083 173.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -53.63 -39.89 65.34 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 107.252 -1.388 . . . . 31.649999999999999 107.252 -173.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.499 ' CD2' ' CE1' ' B' ' 33' ' ' HIS . 93.5 mt -75.02 -29.23 60.78 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 114.247 1.202 . . . . 32.920000000000002 114.247 -178.61 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 102.09 25.45 7.92 Favored Glycine 0 N--CA 1.421 -2.354 0 N-CA-C 109.218 -1.553 . . . . 35.490000000000002 109.218 -177.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 50.4 t -95.19 113.37 29.46 Favored 'Isoleucine or valine' 0 C--O 1.26 1.652 0 N-CA-C 105.248 -2.13 . . . . 36.979999999999997 105.248 -178.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -109.85 118.17 35.77 Favored 'General case' 0 C--O 1.259 1.555 0 N-CA-C 103.43 -2.804 . . . . 39.630000000000003 103.43 162.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -150.85 -164.74 12.21 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 118.226 2.05 . . . . 35.840000000000003 118.226 173.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -91.73 132.28 36.5 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 104.944 -2.243 . . . . 45.229999999999997 104.944 176.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.517 ' CZ2' ' HG2' ' A' ' 31' ' ' LYS . 66.4 m95 -105.23 140.38 38.46 Favored 'General case' 0 C--O 1.182 -2.491 0 C-N-CA 126.525 1.93 . . . . 25.359999999999999 110.718 -175.863 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 27.2 p -134.52 157.06 47.48 Favored 'General case' 0 N--CA 1.42 -1.944 0 O-C-N 120.598 -1.314 . . . . 21.16 109.293 161.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -132.13 121.38 23.67 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 124.411 1.084 . . . . 23.59 109.014 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -105.82 117.45 34.05 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 104.77 -2.308 . . . . 28.420000000000002 104.77 171.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -65.42 -36.23 83.3 Favored 'General case' 0 C--O 1.217 -0.653 0 N-CA-C 114.826 1.417 . . . . 36.829999999999998 114.826 -178.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.45 -41.98 88.31 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 120.934 -1.104 . . . . 35.060000000000002 111.207 -173.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.9 p -98.41 5.88 47.74 Favored 'General case' 0 C--O 1.275 2.396 0 N-CA-C 115.757 1.762 . . . . 31.050000000000001 115.757 175.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.0 mmtm 51.49 52.54 14.5 Favored 'General case' 0 C--O 1.208 -1.13 0 N-CA-C 114.065 1.135 . . . . 36.75 114.065 174.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.7 m -134.74 120.39 19.4 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 109.362 -0.607 . . . . 22.640000000000001 109.362 -168.105 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.2 m-85 -92.87 141.23 28.66 Favored 'General case' 0 C--O 1.251 1.182 0 N-CA-C 103.826 -2.657 . . . . 18.870000000000001 103.826 173.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 68.4 m -116.14 148.71 40.05 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 103.745 -2.687 . . . . 19.09 103.745 169.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 2.2 p -145.16 134.02 17.52 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.217 0 N-CA-C 101.24 -3.615 . . . . 20.16 101.24 164.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.3 m -136.49 120.23 17.31 Favored 'General case' 0 C--O 1.236 0.357 0 O-C-N 126.805 2.565 . . . . 25.109999999999999 106.696 -166.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 . . . . . 0 N--CA 1.494 1.735 0 C-N-CA 124.175 0.99 . . . . 37.759999999999998 109.863 178.813 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' MET . . . . . 0.628 ' HG3' ' O ' ' B' ' 124' ' ' HOH . 1.6 ttp . . . . . 0 N--CA 1.473 0.688 0 CA-C-O 121.925 0.869 . . . . 37.990000000000002 109.211 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 7.6 m -93.17 129.46 39.17 Favored 'General case' 0 N--CA 1.433 -1.312 0 CA-C-N 115.809 -0.632 . . . . 26.449999999999999 109.528 -175.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' TYR . . . . . 0.43 ' CE2' ' HD2' ' B' ' 50' ' ' LYS . 62.2 m-85 -116.61 149.03 40.37 Favored 'General case' 0 C--O 1.252 1.236 0 N-CA-C 106.146 -1.798 . . . . 25.84 106.146 173.203 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . 0.357 3.4 mppt? -109.39 143.33 39.1 Favored 'General case' 0 CA--C 1.483 -1.634 0 C-N-CA 127.805 2.442 . . . . 24.579999999999998 106.62 174.949 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 43.2 tp -126.0 116.04 20.83 Favored 'General case' 0 N--CA 1.436 -1.135 0 O-C-N 125.737 1.898 . . . . 22.460000000000001 105.918 166.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.479 HD13 HG13 ' B' ' 15' ' ' VAL . 29.3 mm -93.55 105.71 17.17 Favored 'Isoleucine or valine' 0 CA--C 1.569 1.704 0 N-CA-C 105.639 -1.986 . . . . 25.109999999999999 105.639 174.126 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mt -87.28 123.16 31.97 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.933 1.293 . . . . 30.239999999999998 113.568 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -138.57 69.35 1.38 Allowed 'General case' 0 N--CA 1.422 -1.829 0 C-N-CA 117.575 -1.65 . . . . 30.98 114.801 179.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.17 -178.41 35.91 Favored Glycine 0 N--CA 1.44 -1.095 0 CA-C-N 111.851 -2.431 . . . . 37.049999999999997 115.363 166.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 36.8 mttp -83.88 -31.65 25.61 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-O 122.533 1.159 . . . . 38.799999999999997 111.548 -168.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' THR . . . . . . . . . . . . . 22.1 m -101.0 -29.4 12.2 Favored 'General case' 0 C--N 1.323 -0.576 0 C-N-CA 119.805 -0.758 . . . . 36.420000000000002 110.609 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -125.37 134.4 52.19 Favored 'General case' 0 C--O 1.266 1.929 0 N-CA-C 109.29 -0.634 . . . . 40.890000000000001 109.29 -170.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -130.8 153.17 49.35 Favored 'General case' 0 CA--C 1.486 -1.495 0 N-CA-C 106.329 -1.73 . . . . 29.940000000000001 106.329 176.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -173.52 165.02 36.86 Favored Glycine 0 CA--C 1.47 -2.743 0 C-N-CA 115.26 -3.353 . . . . 26.210000000000001 113.082 177.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.572 HG21 ' C ' ' C' ' 14' ' ' GLY . 8.2 t -122.42 109.54 24.4 Favored 'Isoleucine or valine' 0 C--O 1.247 0.937 0 O-C-N 126.424 1.897 . . . . 26.59 110.625 149.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.491 ' C ' ' O ' ' B' ' 101' ' ' HOH . 4.0 mt -93.13 163.21 13.72 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-N 119.194 0.906 . . . . 25.09 108.565 169.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 34.9 p -127.4 152.4 47.56 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 107.147 -1.427 . . . . 25.420000000000002 107.147 159.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 9.9 tt -142.38 135.78 27.8 Favored 'Isoleucine or valine' 0 C--O 1.271 2.196 0 N-CA-C 105.985 -1.857 . . . . 24.550000000000001 105.985 176.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -91.41 118.38 30.49 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 112.526 -2.124 . . . . 27.719999999999999 105.638 168.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -136.2 154.19 51.01 Favored 'General case' 0 CA--C 1.496 -1.098 0 CA-C-O 122.686 1.231 . . . . 26.739999999999998 110.619 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . 0.371 0.5 OUTLIER -63.1 -48.33 88.32 Favored 'Isoleucine or valine' 0 C--O 1.246 0.904 0 N-CA-C 106.128 -1.804 . . . . 28.920000000000002 106.128 179.574 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.68 ' OD1' ' OG1' ' B' ' 25' ' ' THR . 0.5 OUTLIER -139.33 -173.29 3.56 Favored 'General case' 0 N--CA 1.531 3.614 0 N-CA-C 117.153 2.279 . . . . 31.190000000000001 117.153 -176.485 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.56 -30.62 33.0 Favored 'General case' 0 C--O 1.267 1.983 0 O-C-N 119.869 -1.769 . . . . 29.460000000000001 113.278 -176.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.29 -31.26 67.24 Favored 'General case' 0 N--CA 1.406 -2.632 0 CA-C-N 113.413 -1.721 . . . . 26.59 107.614 177.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' THR . . . . . 0.68 ' OG1' ' OD1' ' B' ' 22' ' ' ASP . 5.9 m -74.11 -51.15 16.54 Favored 'General case' 0 CA--C 1.476 -1.871 0 O-C-N 123.837 0.711 . . . . 23.489999999999998 111.535 -179.033 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.78 -33.69 70.6 Favored 'General case' 0 CA--C 1.481 -1.698 0 CA-C-O 118.679 -0.677 . . . . 23.359999999999999 109.984 178.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -67.9 -38.26 82.74 Favored 'General case' 0 N--CA 1.413 -2.313 0 O-C-N 123.951 0.782 . . . . 22.68 109.966 -175.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -67.68 -47.47 69.38 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 123.717 0.807 . . . . 29.210000000000001 110.637 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.613 ' O ' ' CD2' ' B' ' 33' ' ' HIS . 49.7 m170 -65.08 -30.32 71.27 Favored 'General case' 0 N--CA 1.499 2.011 0 N-CA-C 112.577 0.584 . . . . 31.809999999999999 112.577 174.988 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PHE . . . . . 0.459 ' CZ ' ' O ' ' B' ' 101' ' ' HOH . 2.8 m-85 -81.0 -47.1 14.07 Favored 'General case' 0 CA--C 1.483 -1.611 0 N-CA-C 108.291 -1.003 . . . . 22.440000000000001 108.291 -172.931 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -65.62 -30.42 71.13 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.351 -0.939 . . . . 24.879999999999999 110.084 178.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 10.8 tp-100 -64.21 -54.17 37.68 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 108.19 -1.041 . . . . 33.719999999999999 108.19 175.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HIS . . . . . 0.613 ' CD2' ' O ' ' B' ' 29' ' ' HIS . 18.1 m170 -49.6 -62.79 1.36 Allowed 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 123.756 0.823 . . . . 35.0 109.312 174.043 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -49.81 -31.43 11.72 Favored 'General case' 0 N--CA 1.518 2.925 0 N-CA-C 115.337 1.606 . . . . 30.829999999999998 115.337 177.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 27.0 m-20 -74.64 -33.71 62.6 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 115.62 1.711 . . . . 39.530000000000001 115.62 166.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.2 -27.39 69.32 Favored 'General case' 0 N--CA 1.505 2.28 0 C-N-CA 118.101 -1.44 . . . . 31.739999999999998 111.863 173.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.602 HD23 ' CE1' ' A' ' 33' ' ' HIS . 51.3 mt -79.74 -5.29 54.96 Favored 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 116.096 1.887 . . . . 36.82 116.096 175.076 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 56.55 43.01 90.9 Favored Glycine 0 N--CA 1.496 2.659 0 C-N-CA 119.143 -1.503 . . . . 38.189999999999998 114.419 -164.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 90.4 t -110.44 100.64 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 107.074 -1.454 . . . . 37.799999999999997 107.074 177.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.539 ' O ' ' HG3' ' B' ' 56' ' ' GLU . 25.6 t0 -104.95 110.27 22.59 Favored 'General case' 0 CA--C 1.554 1.098 0 CA-C-N 115.285 -0.87 . . . . 39.43 110.04 173.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.63 -177.26 28.69 Favored Glycine 0 C--O 1.252 1.263 0 CA-C-N 115.312 -0.858 . . . . 37.079999999999998 111.141 -174.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -97.8 155.03 17.23 Favored 'General case' 0 CA--C 1.498 -1.043 0 O-C-N 124.739 0.905 . . . . 33.979999999999997 109.435 -175.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' TRP . . . . . . . . . . . . . 78.0 m95 -128.4 145.46 51.08 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.619 -1.173 . . . . 24.899999999999999 110.048 -160.776 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . 0.321 65.4 p -141.3 160.99 38.95 Favored 'General case' 0 C--O 1.254 1.318 0 C-N-CA 126.687 1.995 . . . . 22.59 107.599 168.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -137.16 126.98 25.61 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 105.366 -2.087 . . . . 23.800000000000001 105.366 173.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -95.84 112.87 24.49 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-N 120.745 1.612 . . . . 27.27 108.902 162.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -57.51 -38.63 74.96 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.713 0.805 . . . . 32.979999999999997 110.779 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.42 -32.52 73.98 Favored 'General case' 0 C--O 1.272 2.251 0 N-CA-C 116.089 1.885 . . . . 33.009999999999998 116.089 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 22.7 p -112.53 -2.05 14.74 Favored 'General case' 0 C--O 1.26 1.647 0 N-CA-C 112.895 0.702 . . . . 32.060000000000002 112.895 -176.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LYS . . . . . 0.43 ' HD2' ' CE2' ' B' ' 3' ' ' TYR . 24.6 mmtm 56.42 38.25 29.54 Favored 'General case' 0 CA--C 1.507 -0.695 0 CA-C-O 122.595 1.188 . . . . 30.199999999999999 110.718 176.447 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' THR . . . . . . . . . . . . . 60.4 m -120.1 134.7 55.18 Favored 'General case' 0 CA--C 1.48 -1.727 0 CA-C-N 114.865 -1.061 . . . . 24.550000000000001 109.034 -173.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -106.9 168.38 9.23 Favored 'General case' 0 C--O 1.258 1.512 0 N-CA-C 103.827 -2.657 . . . . 22.5 103.827 170.53 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.48 141.52 28.41 Favored 'General case' 0 N--CA 1.412 -2.341 0 N-CA-C 102.525 -3.139 . . . . 24.02 102.525 179.111 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.09 118.58 41.73 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.324 0 N-CA-C 104.827 -2.286 . . . . 25.34 104.827 170.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' THR . . . . . . . . . . . . . 24.7 m -119.56 128.58 54.05 Favored 'General case' 0 N--CA 1.424 -1.745 0 N-CA-C 105.852 -1.907 . . . . 29.100000000000001 105.852 177.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' GLU . . . . . 0.539 ' HG3' ' O ' ' B' ' 40' ' ' ASP . 1.2 tt0 . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 122.5 1.143 . . . . 35.170000000000002 109.852 172.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 C--O 1.194 -1.865 0 N-CA-C 107.647 -1.242 . . . . 63.219999999999999 107.647 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' THR . . . . . 0.479 HG21 HG21 ' A' ' 2' ' ' THR . 59.4 m -103.26 128.88 50.15 Favored 'General case' 0 CA--C 1.493 -1.227 0 O-C-N 120.645 -1.284 . . . . 38.960000000000001 109.496 -166.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' TYR . . . . . 0.448 ' O ' ' HA ' ' C' ' 17' ' ' THR . 80.0 m-85 -127.92 141.66 51.48 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 122.497 1.141 . . . . 32.670000000000002 112.287 -177.226 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.433 ' HB2' HG23 ' C' ' 51' ' ' THR . 0.1 OUTLIER -109.03 146.62 33.64 Favored 'General case' 0 CA--C 1.497 -1.078 0 N-CA-C 108.151 -1.055 . . . . 38.630000000000003 108.151 -174.604 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' C' ' 52' ' ' PHE . 24.9 tp -122.02 136.93 54.96 Favored 'General case' 0 CA--C 1.505 -0.771 0 N-CA-C 107.813 -1.181 . . . . 51.439999999999998 107.813 157.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ILE . . . . . 0.483 HD13 HG22 ' C' ' 15' ' ' VAL . 32.0 mm -105.61 125.8 60.91 Favored 'Isoleucine or valine' 0 C--O 1.249 1.043 0 N-CA-C 104.854 -2.276 . . . . 63.130000000000003 104.854 171.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 9.3 mt -110.48 119.65 39.87 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.87 1.668 . . . . 72.010000000000005 112.3 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.21 45.47 2.42 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-O 122.038 0.923 . . . . 80.959999999999994 110.844 174.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.78 157.87 52.79 Favored Glycine 0 CA--C 1.502 -0.749 0 N-CA-C 108.953 -1.659 . . . . 80.5 108.953 176.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -85.24 -2.59 58.22 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 114.312 1.227 . . . . 99.420000000000002 114.312 -166.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -132.08 -7.08 3.47 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 113.217 0.821 . . . . 96.140000000000001 113.217 164.494 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -131.19 113.73 14.22 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 108.771 -0.826 . . . . 89.530000000000001 108.771 -178.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 51.9 mmtt -109.7 147.92 32.29 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 124.034 0.834 . . . . 83.359999999999999 110.174 166.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' GLY . . . . . 0.572 ' C ' HG21 ' B' ' 15' ' ' VAL . . . 179.83 172.44 43.86 Favored Glycine 0 C--O 1.254 1.385 0 N-CA-C 116.969 1.547 . . . . 72.159999999999997 116.969 -178.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' VAL . . . . . 0.483 HG22 HD13 ' C' ' 6' ' ' ILE . 2.1 t -133.2 132.08 58.37 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 CA-C-N 113.628 -1.286 . . . . 65.060000000000002 108.416 164.485 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 25.5 mt -121.97 129.54 52.58 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 105.835 -1.913 . . . . 58.060000000000002 105.835 172.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' THR . . . . . 0.448 ' HA ' ' O ' ' C' ' 3' ' ' TYR . 18.2 p -101.85 152.69 20.59 Favored 'General case' 0 C--O 1.209 -1.045 0 N-CA-C 102.508 -3.145 . . . . 51.229999999999997 102.508 167.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 7.9 tt -151.51 141.96 15.78 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 N-CA-C 103.447 -2.797 . . . . 43.609999999999999 103.447 -168.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -104.86 136.14 44.91 Favored 'General case' 0 C--N 1.307 -1.246 0 N-CA-C 105.775 -1.935 . . . . 45.159999999999997 105.775 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ALA . . . . . . . . . . . . . . . -163.87 138.61 5.96 Favored 'General case' 0 N--CA 1.488 1.431 0 CA-C-O 118.455 -0.784 . . . . 37.229999999999997 111.132 -169.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 7.7 p -52.58 -31.38 15.76 Favored 'Isoleucine or valine' 0 C--O 1.254 1.318 0 N-CA-C 114.301 1.223 . . . . 45.890000000000001 114.301 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' ASP . . . . . . . . . . . . . 19.8 p30 -158.38 161.12 37.53 Favored 'General case' 0 C--O 1.273 2.334 0 O-C-N 124.509 1.13 . . . . 37.420000000000002 113.102 -175.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.28 -35.61 67.67 Favored 'General case' 0 N--CA 1.519 3.019 0 N-CA-C 116.634 2.087 . . . . 29.289999999999999 116.634 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -50.73 -46.38 59.08 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-O 121.504 0.668 . . . . 31.969999999999999 110.437 171.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' THR . . . . . . . . . . . . . 51.8 m -76.27 -45.91 30.44 Favored 'General case' 0 C--O 1.251 1.16 0 N-CA-C 113.188 0.811 . . . . 31.949999999999999 113.188 -178.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.57 14.73 Favored 'General case' 0 CA--C 1.564 1.484 0 C-N-CA 119.314 -0.954 . . . . 36.590000000000003 110.767 165.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -66.65 -52.18 47.86 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 121.003 -1.061 . . . . 47.609999999999999 110.124 -174.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttt -57.25 -41.35 79.46 Favored 'General case' 0 CA--C 1.543 0.689 0 O-C-N 123.879 0.737 . . . . 66.769999999999996 112.593 -176.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' HIS . . . . . . . . . . . . . 44.5 m80 -77.86 -23.45 48.85 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.091 0.775 . . . . 65.709999999999994 113.091 177.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -77.03 -38.66 52.41 Favored 'General case' 0 N--CA 1.472 0.632 0 N-CA-C 114.086 1.143 . . . . 60.159999999999997 114.086 172.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -68.12 -27.28 66.32 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 120.804 0.335 . . . . 60.859999999999999 110.814 -178.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' GLN . . . . . 0.692 HE21 ' HA ' ' C' ' 32' ' ' GLN . 0.0 OUTLIER -67.49 -64.4 0.86 Allowed 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.362 -0.835 . . . . 66.609999999999999 111.329 174.011 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' HIS . . . . . . . . . . . . . 22.3 m170 -49.2 -22.0 0.91 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 114.654 -1.157 . . . . 68.099999999999994 111.304 178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.17 -46.22 43.62 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 113.4 0.889 . . . . 65.239999999999995 113.4 173.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -71.27 -41.55 69.89 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-O 118.66 -0.686 . . . . 79.400000000000006 111.706 175.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.05 -41.55 78.91 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.279 0.632 . . . . 83.280000000000001 111.981 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -83.15 -30.79 27.57 Favored 'General case' 0 CA--C 1.554 1.111 0 CA-C-N 115.608 -0.723 . . . . 97.069999999999993 111.343 177.673 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 158.25 -41.61 0.51 Allowed Glycine 0 N--CA 1.478 1.442 0 N-CA-C 117.997 1.959 . . . . 96.469999999999999 117.997 163.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 29.9 m -81.92 121.36 35.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 N-CA-C 118.803 2.89 . . . . 97.209999999999994 118.803 -147.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -69.82 143.55 52.87 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 102.546 -3.131 . . . . 85.739999999999995 102.546 150.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' GLY . . . . . . . . . . . . . . . -168.45 -169.46 31.92 Favored Glycine 0 C--O 1.239 0.452 0 C-N-CA 119.903 -1.141 . . . . 79.180000000000007 115.206 -177.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -112.62 97.44 6.58 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.084 -1.08 . . . . 82.609999999999999 108.084 178.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' TRP . . . . . . . . . . . . . 82.9 m95 -76.22 133.69 40.06 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-N 114.157 -1.383 . . . . 58.310000000000002 112.004 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -135.07 148.1 49.77 Favored 'General case' 0 CA--C 1.575 1.93 0 N-CA-C 108.441 -0.948 . . . . 44.450000000000003 108.441 175.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' TYR . . . . . . . . . . . . . 57.5 t80 -120.52 126.93 51.59 Favored 'General case' 0 N--CA 1.491 1.575 0 CA-C-N 118.832 0.742 . . . . 34.259999999999998 112.458 171.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' ASP . . . . . . . . . . . . . 40.8 t0 -107.98 87.53 2.52 Favored 'General case' 0 CA--C 1.494 -1.179 0 N-CA-C 108.051 -1.092 . . . . 40.32 108.051 171.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -32.75 -40.92 0.06 Allowed 'General case' 0 C--O 1.206 -1.194 0 N-CA-C 117.125 2.268 . . . . 47.560000000000002 117.125 176.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -90.33 -14.1 33.82 Favored 'General case' 0 CA--C 1.559 1.301 0 N-CA-C 114.141 1.163 . . . . 36.729999999999997 114.141 -167.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -108.69 6.77 26.06 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-O 118.541 -0.742 . . . . 37.420000000000002 111.177 168.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' LYS . . . . . . . . . . . . . 18.0 mmtm 52.69 23.21 2.57 Favored 'General case' 0 N--CA 1.495 1.806 0 N-CA-C 117.934 2.568 . . . . 35.079999999999998 117.934 -179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' THR . . . . . 0.433 HG23 ' HB2' ' C' ' 4' ' ' LYS . 75.0 m -115.52 122.36 45.46 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 123.151 0.58 . . . . 35.369999999999997 112.191 -163.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' PHE . . . . . 0.52 ' O ' ' HA ' ' C' ' 5' ' ' LEU . 66.8 m-85 -91.85 136.54 33.07 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 122.787 0.435 . . . . 42.619999999999997 112.03 176.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' THR . . . . . . . . . . . . . 8.8 m -122.87 129.13 51.27 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 115.124 1.527 . . . . 50.829999999999998 115.124 179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' VAL . . . . . . . . . . . . . 2.4 p -120.13 136.72 56.28 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.247 0 CA-C-N 115.493 -0.776 . . . . 64.010000000000005 111.549 163.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' C' ' 108' ' ' HOH . 53.4 m -136.9 147.55 46.51 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-O 121.121 0.486 . . . . 80.370000000000005 111.731 -178.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 56' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 . . . . . 0 CA--C 1.545 0.752 0 CA-C-N 114.656 -1.156 . . . . 104.20999999999999 111.483 172.393 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.714 0 N-CA-C 114.292 1.219 . . . . 68.930000000000007 114.292 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' THR . . . . . . . . . . . . . 7.9 m -73.87 138.5 44.4 Favored 'General case' 0 N--CA 1.494 1.735 0 C-N-CA 124.35 1.06 . . . . 49.899999999999999 112.969 177.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -129.9 140.71 50.91 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 113.79 1.034 . . . . 44.25 113.79 167.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.33 145.42 27.36 Favored 'General case' 0 C--O 1.241 0.645 0 O-C-N 124.049 0.843 . . . . 45.93 110.203 179.467 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' LEU . . . . . . . . . . . . . 8.5 tp -129.8 124.19 32.77 Favored 'General case' 0 CA--C 1.548 0.903 0 CA-C-N 114.258 -1.337 . . . . 51.119999999999997 108.992 159.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ILE . . . . . 0.429 ' HB ' HG22 ' D' ' 53' ' ' THR . 24.7 mm -93.58 115.91 33.52 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 CA-C-O 121.814 0.816 . . . . 60.829999999999998 112.178 163.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' LEU . . . . . 0.448 HD23 ' CG1' ' D' ' 54' ' ' VAL . 13.1 mt -83.86 112.82 20.47 Favored 'General case' 0 C--O 1.253 1.245 0 CA-C-N 114.734 -1.121 . . . . 70.299999999999997 109.974 169.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.419 ' HB3' HG23 ' D' ' 55' ' ' THR . 7.9 t-20 -106.03 66.13 0.71 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 105.904 -1.888 . . . . 73.349999999999994 105.904 166.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' GLY . . . . . 0.423 ' HA2' ' HB2' ' D' ' 56' ' ' GLU . . . -76.94 -172.84 37.19 Favored Glycine 0 C--O 1.216 -1.028 0 CA-C-N 115.365 -0.834 . . . . 75.799999999999997 111.193 176.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' LYS . . . . . . . . . . . . . 52.6 mttp -89.97 -64.76 1.09 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.15 -2.167 . . . . 92.049999999999997 105.15 166.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' THR . . . . . . . . . . . . . 44.1 m -66.29 -52.14 50.4 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.279 1.032 . . . . 82.930000000000007 108.388 -177.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -106.34 115.05 29.54 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-N 115.139 -0.937 . . . . 76.739999999999995 112.105 -170.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -97.15 166.91 11.35 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 109.056 -0.72 . . . . 73.469999999999999 109.056 164.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' GLY . . . . . . . . . . . . . . . 149.3 -166.15 29.51 Favored Glycine 0 C--O 1.243 0.704 0 N-CA-C 121.759 3.464 . . . . 69.230000000000004 121.759 174.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' VAL . . . . . . . . . . . . . 13.6 t -142.68 124.59 12.66 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.681 0 CA-C-N 112.626 -1.787 . . . . 63.450000000000003 107.315 -178.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 58.3 mt -111.2 150.48 29.47 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 118.651 -1.22 . . . . 64.609999999999999 110.321 166.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.64 159.37 26.64 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.272 -0.422 . . . . 60.060000000000002 110.555 171.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' ILE . . . . . 0.464 HG12 ' N ' ' D' ' 19' ' ' GLU . 0.1 OUTLIER -155.15 153.53 7.81 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.044 0 N-CA-C 108.842 -0.799 . . . . 54.369999999999997 108.842 162.887 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' GLU . . . . . 0.464 ' N ' HG12 ' D' ' 18' ' ' ILE . 6.6 mm-40 -84.48 80.73 9.13 Favored 'General case' 0 CA--C 1.49 -1.334 0 CA-C-N 113.071 -1.877 . . . . 52.520000000000003 108.074 160.289 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' ALA . . . . . . . . . . . . . . . -93.89 162.93 13.71 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 108.777 -0.823 . . . . 45.43 108.777 168.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 1.2 p -91.29 -14.38 8.7 Favored 'Isoleucine or valine' 0 CA--C 1.566 1.568 0 C-N-CA 125.832 1.653 . . . . 45.990000000000002 114.786 -175.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ASP . . . . . 0.65 ' OD2' ' O ' ' D' ' 101' ' ' HOH . 1.8 p30 -161.23 168.55 23.91 Favored 'General case' 0 N--CA 1.513 2.699 0 C-N-CA 123.49 0.716 . . . . 44.609999999999999 110.258 166.416 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' ALA . . . . . . . . . . . . . . . -47.39 -52.13 17.69 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 112.902 0.704 . . . . 38.880000000000003 112.902 171.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.07 -42.06 79.93 Favored 'General case' 0 C--O 1.247 0.935 0 N-CA-C 114.205 1.187 . . . . 39.200000000000003 114.205 -174.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -41.06 64.63 Favored 'General case' 0 C--O 1.204 -1.313 0 N-CA-C 106.848 -1.538 . . . . 41.560000000000002 106.848 177.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.62 -50.83 59.5 Favored 'General case' 0 N--CA 1.507 2.377 0 N-CA-C 114.974 1.472 . . . . 39.090000000000003 114.974 173.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -55.01 -46.78 75.25 Favored 'General case' 0 N--CA 1.493 1.706 0 C-N-CA 125.871 1.668 . . . . 44.640000000000001 111.859 177.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 22.1 tttt -53.8 -57.5 10.68 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 125.27 1.428 . . . . 64.840000000000003 111.358 179.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -63.43 -37.75 88.48 Favored 'General case' 0 CA--C 1.491 -1.318 0 C-N-CA 123.722 0.809 . . . . 82.150000000000006 112.101 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' PHE . . . . . . . . . . . . . 5.8 m-30 -68.96 -41.96 77.28 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 112.925 0.713 . . . . 60.25 112.925 -178.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' LYS . . . . . . . . . . . . . 74.6 mttt -67.39 -25.73 66.1 Favored 'General case' 0 CA--C 1.558 1.259 0 N-CA-C 112.345 0.498 . . . . 66.629999999999995 112.345 169.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.01 -45.12 51.77 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 108.926 -0.768 . . . . 93.489999999999995 108.926 174.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' HIS . . . . . . . . . . . . . 59.5 m170 -65.61 -52.85 48.88 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 108.807 -0.812 . . . . 90.430000000000007 108.807 179.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.6 -26.17 68.28 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 115.804 1.779 . . . . 74.930000000000007 115.804 -175.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -81.86 -44.68 16.55 Favored 'General case' 0 N--CA 1.469 0.479 0 N-CA-C 108.696 -0.853 . . . . 82.090000000000003 108.696 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' ASP . . . . . . . . . . . . . 26.5 m-20 -56.78 -7.87 0.51 Allowed 'General case' 0 CA--C 1.556 1.202 0 N-CA-C 115.143 1.534 . . . . 85.150000000000006 115.143 167.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' LEU . . . . . . . . . . . . . 7.8 mp -103.35 4.34 36.24 Favored 'General case' 0 CA--C 1.562 1.423 0 N-CA-C 116.548 2.055 . . . . 85.370000000000005 116.548 170.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.13 20.08 76.1 Favored Glycine 0 N--CA 1.474 1.169 0 N-CA-C 115.22 0.848 . . . . 83.150000000000006 115.22 -179.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 43.3 t -105.48 94.18 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 122.66 0.384 . . . . 80.689999999999998 110.111 -176.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -90.18 116.08 27.9 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 106.069 -1.826 . . . . 92.170000000000002 106.069 168.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' GLY . . . . . . . . . . . . . . . -155.25 -168.36 18.28 Favored Glycine 0 N--CA 1.487 2.051 0 C-N-CA 123.611 0.624 . . . . 85.069999999999993 112.102 169.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -105.94 160.47 15.24 Favored 'General case' 0 CA--C 1.558 1.282 0 N-CA-C 114.074 1.139 . . . . 74.959999999999994 114.074 173.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' TRP . . . . . . . . . . . . . 47.2 m95 -119.81 135.42 54.87 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 115.999 1.851 . . . . 63.479999999999997 115.999 -158.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -103.76 140.35 37.75 Favored 'General case' 0 C--O 1.195 -1.806 0 C-N-CA 126.177 1.791 . . . . 52.039999999999999 106.717 173.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' TYR . . . . . 0.625 ' CE2' ' HB3' ' D' ' 47' ' ' ASP . 29.8 t80 -135.01 116.39 14.58 Favored 'General case' 0 C--O 1.251 1.176 0 CA-C-N 120.029 1.286 . . . . 43.119999999999997 108.15 158.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -111.48 124.51 52.43 Favored 'General case' 0 CA--C 1.488 -1.436 0 N-CA-C 105.309 -2.108 . . . . 40.329999999999998 105.309 169.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' ASP . . . . . 0.625 ' HB3' ' CE2' ' D' ' 45' ' ' TYR . 0.5 OUTLIER -103.0 2.74 35.37 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 114.921 1.452 . . . . 45.630000000000003 114.921 -171.066 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' ALA . . . . . . . . . . . . . . . -76.13 -40.67 52.19 Favored 'General case' 0 C--O 1.247 0.928 0 CA-C-O 121.844 0.831 . . . . 50.409999999999997 109.147 172.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' THR . . . . . 0.407 ' HB ' ' HE3' ' A' ' 13' ' ' LYS . 68.4 p -95.94 10.48 37.17 Favored 'General case' 0 C--O 1.214 -0.763 0 CA-C-N 113.758 -1.565 . . . . 50.920000000000002 114.049 170.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' LYS . . . . . . . . . . . . . 51.4 mttm 42.01 47.62 3.86 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 125.157 1.383 . . . . 43.600000000000001 114.714 -176.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' THR . . . . . . . . . . . . . 17.7 m -125.63 124.83 42.05 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.842 0.83 . . . . 41.75 111.597 -166.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -90.74 152.51 20.79 Favored 'General case' 0 N--CA 1.435 -1.181 0 CA-C-N 113.512 -1.676 . . . . 47.899999999999999 106.69 163.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 53' ' ' THR . . . . . 0.429 HG22 ' HB ' ' D' ' 6' ' ' ILE . 67.4 p -144.11 136.97 27.19 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.065 0.946 . . . . 55.890000000000001 109.502 162.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 54' ' ' VAL . . . . . 0.448 ' CG1' HD23 ' D' ' 7' ' ' LEU . 5.9 p -117.02 140.46 39.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.006 0 O-C-N 123.589 0.556 . . . . 59.729999999999997 111.73 169.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 55' ' ' THR . . . . . 0.419 HG23 ' HB3' ' D' ' 8' ' ' ASN . 27.1 m -136.27 99.05 4.0 Favored 'General case' 0 CA--C 1.559 1.3 0 N-CA-C 112.391 0.515 . . . . 72.140000000000001 112.391 -174.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 56' ' ' GLU . . . . . 0.423 ' HB2' ' HA2' ' D' ' 9' ' ' GLY . 3.5 mt-10 . . . . . 0 N--CA 1.487 1.386 0 C-N-CA 124.286 1.034 . . . . 80.719999999999999 112.024 169.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . 0.586 ' O ' ' HB3' ' A' ' 7' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.621 ' O ' ' CD2' ' A' ' 33' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . 0.503 ' O ' ' ND1' ' A' ' 12' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . 0.474 ' O ' HD23 ' A' ' 37' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . 0.411 ' O ' ' HB2' ' A' ' 8' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.491 ' O ' ' C ' ' B' ' 16' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . 0.628 ' O ' ' HG3' ' B' ' 1' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 108' ' ' HOH . . . . . 0.426 ' O ' ' HB ' ' C' ' 55' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . 0.65 ' O ' ' OD2' ' D' ' 22' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_