data_1gnu_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1gnu _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttp . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.292 -1.003 . . . . 35.25 108.292 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mmtt -74.4 128.44 35.56 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 113.92 1.082 . . . . 39.67 113.92 167.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -98.06 133.13 42.94 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 114.786 1.402 . . . . 24.22 114.786 174.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.88 -38.42 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-O 122.527 1.156 . . . . 26.26 108.336 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.17 -36.32 77.33 Favored 'General case' 0 C--O 1.258 1.508 0 O-C-N 120.761 -1.212 . . . . 28.84 114.161 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . 0.433 ' CE ' ' O ' ' A' 2005 ' ' HOH . 58.6 mtpt -73.95 -34.68 64.38 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 118.947 -0.549 . . . . 30.66 109.902 179.966 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -64.17 -39.89 94.95 Favored 'General case' 0 C--O 1.278 2.553 0 C-N-CA 124.411 1.084 . . . . 35.59 112.213 177.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.286 11.9 pt-20 -94.64 -14.43 24.91 Favored 'General case' 0 C--O 1.206 -1.207 0 N-CA-C 117.105 2.261 . . . . 43.93 117.105 -172.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -121.07 122.06 28.45 Favored Pre-proline 0 C--O 1.267 2.011 0 N-CA-C 109.279 -0.637 . . . . 33.38 109.279 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.51 147.48 90.4 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 120.589 1.246 . . . . 20.45 111.47 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -45.73 -48.0 15.28 Favored 'General case' 0 C--O 1.189 -2.104 0 N-CA-C 115.35 1.611 . . . . 18.6 115.35 179.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLU . . . . . 0.733 ' OE1' ' NH2' ' A' ' 15' ' ' ARG . 2.2 tp10 -64.08 -33.41 75.7 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.954 0.883 . . . . 37.99 109.654 -172.351 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . 1.086 ' NZ ' ' O ' ' A' 2011 ' ' HOH . 22.5 tptt -71.72 -39.1 70.36 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 120.166 -0.614 . . . . 36.77 112.015 177.781 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -65.08 -43.86 90.78 Favored 'General case' 0 CA--C 1.481 -1.698 0 CA-C-O 121.604 0.716 . . . . 28.98 109.182 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ARG . . . . . 0.733 ' NH2' ' OE1' ' A' ' 12' ' ' GLU . 21.0 ttp180 -59.67 -47.4 85.78 Favored 'General case' 0 N--CA 1.385 -3.695 0 C-N-CA 119.169 -1.012 . . . . 29.93 112.18 178.69 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 p -58.82 -39.67 81.89 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 119.165 -1.014 . . . . 17.93 109.81 -175.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . 0.489 ' OE2' ' NZ ' ' A' ' 48' ' ' LYS . 79.2 tt0 -68.35 -43.7 76.87 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.38 0.61 . . . . 33.47 111.433 179.692 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.57 -44.22 97.88 Favored Glycine 0 C--O 1.274 2.612 0 CA-C-O 123.768 1.76 . . . . 16.14 112.952 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.77 -43.06 94.54 Favored 'General case' 0 CA--C 1.497 -1.088 0 C-N-CA 118.246 -1.382 . . . . 32.02 113.602 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 45.3 tttt -64.84 -40.87 95.87 Favored 'General case' 0 N--CA 1.402 -2.83 0 CA-C-N 115.096 -0.956 . . . . 33.71 110.173 -176.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.98 -40.17 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 120.894 -0.322 . . . . 22.58 110.349 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . 0.422 ' NH2' ' O ' ' A' 2024 ' ' HOH . 25.3 mmm180 -71.44 -31.08 66.79 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.15 0.976 . . . . 32.67 110.296 -179.045 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . 0.87 ' NZ ' ' O ' ' A' 2027 ' ' HOH . 0.0 OUTLIER -75.17 -41.91 57.03 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 117.482 -1.687 . . . . 32.87 111.077 178.809 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt -73.73 -36.0 65.13 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.589 -1.187 . . . . 37.14 112.854 -178.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -134.62 66.41 69.49 Favored Pre-proline 0 CA--C 1.501 -0.911 0 CA-C-O 121.953 0.882 . . . . 27.15 109.745 -171.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -58.61 -13.19 16.5 Favored 'Trans proline' 0 C--O 1.186 -2.105 0 C-N-CA 121.611 1.541 . . . . 22.61 112.338 -171.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -102.69 12.46 36.28 Favored 'General case' 0 C--O 1.261 1.685 0 C-N-CA 118.332 -1.347 . . . . 33.82 110.624 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -114.74 152.68 31.63 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.36 1.038 . . . . 24.4 111.998 173.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . 0.306 29.0 t -120.59 125.62 27.07 Favored Pre-proline 0 N--CA 1.433 -1.315 0 N-CA-C 106.109 -1.812 . . . . 27.45 106.109 178.327 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -85.87 126.12 2.87 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 122.187 1.925 . . . . 16.88 111.238 174.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.14 142.37 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 126.436 2.335 . . . . 19.32 110.999 -176.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.6 mm -112.34 124.9 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 N-CA-C 106.583 -1.636 . . . . 18.94 106.583 171.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -118.36 126.8 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 C-N-CA 124.71 1.204 . . . . 17.77 111.027 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -138.41 153.39 48.89 Favored 'General case' 0 C--O 1.288 3.089 0 CA-C-O 121.751 0.786 . . . . 23.2 108.901 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -84.59 134.25 34.4 Favored 'General case' 0 C--O 1.267 1.979 0 CA-C-N 112.855 -1.975 . . . . 21.22 108.563 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.66 132.25 64.79 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 107.237 -1.394 . . . . 19.3 107.237 168.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -57.01 -37.68 97.89 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 N-CA-C 116.25 1.596 . . . . 23.67 116.25 -172.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -82.89 -10.36 58.86 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 122.618 1.199 . . . . 35.13 111.913 -174.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.5 130.1 42.39 Favored 'General case' 0 N--CA 1.421 -1.885 0 O-C-N 120.986 -1.071 . . . . 22.01 109.366 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -93.1 41.51 1.08 Allowed 'General case' 0 C--O 1.253 1.246 0 N-CA-C 115.572 1.693 . . . . 47.81 115.572 -173.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.8 pt -124.89 -178.57 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 124.104 0.877 . . . . 28.53 112.669 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.47 141.7 34.49 Favored Glycine 0 C--O 1.219 -0.797 0 N-CA-C 117.391 1.716 . . . . 28.72 117.391 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . 0.701 ' OD2' ' O ' ' A' 2045 ' ' HOH . 9.7 t0 -94.55 160.56 14.58 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 101.822 -3.399 . . . . 33.86 101.822 -176.807 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -92.41 137.42 32.38 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 127.814 3.673 . . . . 31.48 116.793 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . 0.781 ' OD2' ' NE ' ' A' ' 67' ' ' ARG 0.376 0.0 OUTLIER -64.78 -65.99 0.6 Allowed 'General case' 1 N--CA 1.372 -4.351 1 CA-C-N 107.279 -4.51 . . . . 41.07 109.242 -177.242 . . . . . . . . 6 4 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -107.58 132.62 53.09 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 104.934 -2.247 . . . . 34.58 104.934 -176.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -98.42 -21.86 16.35 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.924 1.824 . . . . 27.51 115.924 174.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . 0.489 ' NZ ' ' OE2' ' A' ' 17' ' ' GLU . 37.8 ttpt -106.28 125.66 51.28 Favored 'General case' 0 C--O 1.26 1.636 0 N-CA-C 116.001 1.852 . . . . 33.22 116.001 179.095 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -127.38 139.06 53.11 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 115.482 -0.781 . . . . 24.1 110.495 -175.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.7 tp -111.35 99.43 8.23 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 105.141 -2.17 . . . . 25.16 105.141 171.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.4 m -107.36 159.26 30.82 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 117.91 -1.516 . . . . 24.58 111.427 -173.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -64.83 134.82 41.95 Favored 'Trans proline' 0 CA--C 1.489 -1.737 0 C-N-CA 122.26 1.973 . . . . 18.82 111.977 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.3 p -57.01 -28.72 62.72 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.532 -0.758 . . . . 17.39 112.418 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -92.2 -1.92 56.84 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 124.776 1.298 . . . . 31.89 111.035 -174.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.25 136.49 57.95 Favored 'General case' 0 C--O 1.205 -1.245 0 CA-C-O 121.86 0.838 . . . . 21.08 112.092 170.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -85.59 156.57 20.67 Favored 'General case' 0 C--O 1.188 -2.145 0 CA-C-O 124.03 1.871 . . . . 18.21 113.948 177.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.76 -40.69 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 O-C-N 120.57 -1.331 . . . . 22.23 109.978 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.91 -42.2 96.61 Favored Glycine 0 N--CA 1.426 -2.01 0 O-C-N 121.207 -0.933 . . . . 16.24 113.685 174.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.21 -43.51 94.8 Favored 'General case' 0 C--O 1.19 -2.075 0 CA-C-N 118.044 0.922 . . . . 18.61 109.48 177.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -65.9 -41.51 91.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 119.183 -1.007 . . . . 21.02 109.035 -177.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -50.01 -45.92 52.34 Favored 'General case' 0 C--O 1.275 2.433 0 O-C-N 120.485 -1.384 . . . . 30.15 111.528 171.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -64.07 -42.56 96.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 117.959 -1.019 . . . . 25.63 109.874 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.73 -47.74 83.88 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 113.127 0.788 . . . . 23.79 113.127 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.4 mm -68.83 -39.77 80.45 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.425 0 N-CA-C 109.144 -0.688 . . . . 20.58 109.144 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 47.0 mtt-85 -57.23 -44.41 83.75 Favored 'General case' 0 C--O 1.274 2.365 0 CA-C-O 123.965 1.841 . . . . 20.88 110.03 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -69.54 -30.38 68.18 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-N 112.692 -2.049 . . . . 39.53 112.413 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ARG . . . . . 0.781 ' NE ' ' OD2' ' A' ' 45' ' ' ASP . 59.8 mtp85 -68.93 -34.84 76.04 Favored 'General case' 0 C--O 1.281 2.713 0 N-CA-C 115.165 1.543 . . . . 30.72 115.165 171.893 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 pt -99.5 13.73 5.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 C-N-CA 119.873 -0.731 . . . . 20.02 112.598 178.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' HIS . . . . . 0.731 ' CD2' ' O ' ' A' 2060 ' ' HOH . 28.1 m170 60.31 49.01 7.43 Favored 'General case' 0 C--O 1.274 2.373 0 N-CA-C 115.79 1.774 . . . . 23.75 115.79 172.914 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 24.2 mt -119.63 141.0 49.71 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 113.832 -1.531 . . . . 28.21 109.963 177.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ARG . . . . . 0.81 ' NH1' ' O ' ' A' 2064 ' ' HOH . 92.8 mtt180 -99.85 176.88 5.29 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 119.985 -0.686 . . . . 41.86 111.835 178.242 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.12 -33.45 39.91 Favored 'General case' 0 N--CA 1.416 -2.156 0 O-C-N 124.664 1.228 . . . . 24.55 109.037 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.7 pm0 -79.08 -2.01 38.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 116.331 1.974 . . . . 28.15 116.331 -176.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -104.65 138.49 40.9 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 119.44 -0.904 . . . . 22.11 110.331 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.4 135.37 51.64 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 118.288 -1.365 . . . . 22.11 110.603 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.9 tp -156.5 126.97 6.62 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 112.82 -1.991 . . . . 23.19 109.102 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -132.1 134.83 45.92 Favored 'General case' 0 N--CA 1.403 -2.788 0 CA-C-N 114.65 -1.159 . . . . 17.91 113.16 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -93.03 137.05 32.74 Favored 'General case' 0 CA--C 1.479 -1.766 0 C-N-CA 124.796 1.238 . . . . 23.48 112.27 173.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -127.87 125.76 40.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 119.388 -0.339 . . . . 22.91 110.416 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.81 113.25 33.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 106.95 -1.5 . . . . 19.95 106.95 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . 0.832 ' O ' ' O ' ' A' 2072 ' ' HOH . 89.7 m-20 50.71 45.87 26.53 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-O 123.689 1.709 . . . . 23.05 109.527 -172.082 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 59.84 17.36 6.42 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 116.77 2.137 . . . . 24.36 116.77 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.6 t -110.37 135.92 47.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-O 119.247 -0.406 . . . . 23.27 111.5 173.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -93.55 116.15 66.07 Favored Pre-proline 0 N--CA 1.494 1.769 0 N-CA-C 104.227 -2.508 . . . . 19.62 104.227 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -79.48 153.84 23.96 Favored 'Trans proline' 0 C--N 1.291 -2.488 0 N-CA-C 110.03 -0.796 . . . . 17.3 110.03 -172.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -70.82 149.83 60.77 Favored 'Trans proline' 0 C--O 1.188 -1.983 0 C-N-CA 123.156 2.571 . . . . 17.46 111.068 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 50.3 p -65.61 -21.55 66.59 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 117.649 -1.167 . . . . 19.04 112.214 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.1 p -81.3 -10.59 59.54 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 117.62 2.452 . . . . 16.76 117.62 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.9 149.19 41.62 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 107.608 -1.256 . . . . 17.94 107.608 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.1 p -89.82 159.14 17.15 Favored 'General case' 0 C--O 1.196 -1.759 0 N-CA-C 109.21 -0.663 . . . . 22.1 109.21 174.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.9 mmm -69.29 -27.01 65.03 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 118.101 -1.44 . . . . 18.95 108.513 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -67.2 -38.77 92.18 Favored Glycine 0 N--CA 1.426 -2.014 0 CA-C-O 117.49 -1.728 . . . . 16.14 110.535 177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.84 -42.16 86.22 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 118.562 1.181 . . . . 33.76 108.629 178.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.3 tp -62.01 -44.03 97.59 Favored 'General case' 0 C--O 1.27 2.149 0 CA-C-O 123.124 1.44 . . . . 27.29 110.264 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -59.01 -46.04 89.18 Favored 'General case' 0 C--O 1.195 -1.779 0 CA-C-N 112.767 -2.015 . . . . 19.93 111.389 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -63.94 -39.32 93.88 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 120.027 -1.67 . . . . 36.24 113.466 -176.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -75.78 -30.57 59.15 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 114.624 1.342 . . . . 33.99 114.624 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -133.31 6.21 3.83 Favored 'General case' 0 C--O 1.193 -1.882 0 N-CA-C 116.071 1.878 . . . . 25.65 116.071 -163.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -61.42 149.6 37.98 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 118.803 -2.436 . . . . 21.63 114.916 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -86.38 176.08 8.07 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 115.123 -0.944 . . . . 20.88 109.21 178.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . 0.796 ' OE2' ' O ' ' A' 2091 ' ' HOH . 65.0 mm-40 -78.94 -2.98 42.62 Favored 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 118.05 -1.46 . . . . 30.11 114.074 -173.686 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -87.18 9.29 20.52 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.646 -0.659 . . . . 15.16 112.301 167.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 64.02 18.79 11.43 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 115.337 1.606 . . . . 28.54 115.337 -178.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -105.29 154.32 20.41 Favored 'General case' 0 C--O 1.188 -2.152 0 N-CA-C 108.848 -0.797 . . . . 19.65 108.848 170.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 tp -102.21 130.23 48.81 Favored 'General case' 0 C--O 1.276 2.488 0 N-CA-C 105.617 -1.994 . . . . 16.09 105.617 170.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -108.05 123.86 49.33 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-N 114.494 -1.23 . . . . 16.5 113.151 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.1 mt -118.31 126.88 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.788 0 CA-C-N 114.564 -1.198 . . . . 23.06 111.036 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.36 146.17 30.78 Favored 'General case' 0 N--CA 1.418 -2.07 0 N-CA-C 107.013 -1.477 . . . . 19.52 107.013 172.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -126.27 146.72 49.89 Favored 'General case' 0 C--O 1.247 0.964 0 C-N-CA 119.695 -0.802 . . . . 25.15 111.005 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 111' ' ' ASP . 36.6 t -152.87 174.9 13.5 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-N 114.867 -1.061 . . . . 19.04 111.377 -177.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASP . . . . . 0.429 ' N ' ' OG ' ' A' ' 110' ' ' SER . 27.3 p-10 -100.96 -2.62 31.34 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 118.62 -1.232 . . . . 25.18 111.812 178.659 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -114.81 141.26 48.12 Favored 'General case' 0 CA--C 1.471 -2.081 0 C-N-CA 125.281 1.432 . . . . 35.15 112.019 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' 2097 ' ' HOH . 51.2 p -107.26 -25.39 11.51 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 116.866 2.173 . . . . 20.83 116.866 -170.597 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.0 -35.36 29.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 C-N-CA 117.9 -1.52 . . . . 23.12 114.169 -165.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -103.66 142.05 35.0 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 115.683 1.734 . . . . 21.38 115.683 -167.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.87 149.22 47.59 Favored Glycine 0 N--CA 1.418 -2.561 0 CA-C-N 114.068 -1.424 . . . . 21.8 111.801 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . 0.784 ' OXT' ' O ' ' A' 2100 ' ' HOH . 82.0 mt . . . . . 0 C--O 1.251 1.165 0 CA-C-N 113.854 -1.173 . . . . 30.09 110.291 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 200' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2005 ' ' HOH . . . . . 0.433 ' O ' ' CE ' ' A' ' 6' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2009 ' ' HOH . . . . . 0.726 ' O ' ' OE2' ' A' ' 12' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2011 ' ' HOH . . . . . 1.086 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2024 ' ' HOH . . . . . 0.422 ' O ' ' NH2' ' A' ' 22' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2027 ' ' HOH . . . . . 0.87 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2044 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2045 ' ' HOH . . . . . 0.701 ' O ' ' OD2' ' A' ' 43' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2049 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2050 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2051 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2052 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2053 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2054 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2055 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2056 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2057 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2058 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2059 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2060 ' ' HOH . . . . . 0.731 ' O ' ' CD2' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2061 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2062 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2063 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2064 ' ' HOH . . . . . 0.81 ' O ' ' NH1' ' A' ' 71' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2065 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2066 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2067 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2068 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2069 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2070 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2071 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2072 ' ' HOH . . . . . 0.832 ' O ' ' O ' ' A' ' 81' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2073 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2074 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2075 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2076 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2077 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2078 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2079 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2080 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2081 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2082 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2083 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2084 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2085 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2086 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2087 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2088 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2089 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2090 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2091 ' ' HOH . . . . . 0.796 ' O ' ' OE2' ' A' ' 101' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2092 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2093 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2094 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2095 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2096 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2097 ' ' HOH . . . . . 0.594 ' O ' ' N ' ' A' ' 113' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2098 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2099 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2100 ' ' HOH . . . . . 0.784 ' O ' ' OXT' ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttp . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.292 -1.003 . . . . 35.25 108.292 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' HA ' ' O ' ' A' 2002 ' ' HOH . 41.7 mmtt -74.4 128.44 35.56 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 113.92 1.082 . . . . 39.67 113.92 167.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -98.06 133.13 42.94 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 114.786 1.402 . . . . 24.22 114.786 174.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.88 -38.42 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-O 122.527 1.156 . . . . 26.26 108.336 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.17 -36.32 77.33 Favored 'General case' 0 C--O 1.258 1.508 0 O-C-N 120.761 -1.212 . . . . 28.84 114.161 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' A' 2005 ' ' HOH . 58.6 mtpt -73.95 -34.68 64.38 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 118.947 -0.549 . . . . 30.66 109.902 179.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -64.17 -39.89 94.95 Favored 'General case' 0 C--O 1.278 2.553 0 C-N-CA 124.411 1.084 . . . . 35.59 112.213 177.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.286 11.9 pt-20 -94.64 -14.43 24.91 Favored 'General case' 0 C--O 1.206 -1.207 0 N-CA-C 117.105 2.261 . . . . 43.93 117.105 -172.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -121.07 122.06 28.45 Favored Pre-proline 0 C--O 1.267 2.011 0 N-CA-C 109.279 -0.637 . . . . 33.38 109.279 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.51 147.48 90.4 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 120.589 1.246 . . . . 20.45 111.47 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' HE2' ' CZ ' ' A' ' 15' ' ' ARG . 81.7 t80 -45.73 -48.0 15.28 Favored 'General case' 0 C--O 1.189 -2.104 0 N-CA-C 115.35 1.611 . . . . 18.6 115.35 179.555 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLU . . . . . 0.726 ' OE2' ' O ' ' A' 2009 ' ' HOH . 2.2 tp10 -64.08 -33.41 75.7 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.954 0.883 . . . . 37.99 109.654 -172.351 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . 1.086 ' NZ ' ' O ' ' A' 2011 ' ' HOH . 22.5 tptt -71.72 -39.1 70.36 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 120.166 -0.614 . . . . 36.77 112.015 177.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -65.08 -43.86 90.78 Favored 'General case' 0 CA--C 1.481 -1.698 0 CA-C-O 121.604 0.716 . . . . 28.98 109.182 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ARG . . . . . 0.55 ' NH2' ' OE1' ' A' ' 12' ' ' GLU . 21.0 ttp180 -59.67 -47.4 85.78 Favored 'General case' 0 N--CA 1.385 -3.695 0 C-N-CA 119.169 -1.012 . . . . 29.93 112.18 178.69 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 p -58.82 -39.67 81.89 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 119.165 -1.014 . . . . 17.93 109.81 -175.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.35 -43.7 76.87 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.38 0.61 . . . . 33.47 111.433 179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.57 -44.22 97.88 Favored Glycine 0 C--O 1.274 2.612 0 CA-C-O 123.768 1.76 . . . . 16.14 112.952 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.77 -43.06 94.54 Favored 'General case' 0 CA--C 1.497 -1.088 0 C-N-CA 118.246 -1.382 . . . . 32.02 113.602 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' 2027 ' ' HOH . 45.3 tttt -64.84 -40.87 95.87 Favored 'General case' 0 N--CA 1.402 -2.83 0 CA-C-N 115.096 -0.956 . . . . 33.71 110.173 -176.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.98 -40.17 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 120.894 -0.322 . . . . 22.58 110.349 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -71.44 -31.08 66.79 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.15 0.976 . . . . 32.67 110.296 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . 0.82 ' NZ ' ' O ' ' A' 2027 ' ' HOH . 0.0 OUTLIER -75.17 -41.91 57.03 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 117.482 -1.687 . . . . 32.87 111.077 178.809 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 25' ' ' TYR . 24.1 ttmt -73.73 -36.0 65.13 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.589 -1.187 . . . . 37.14 112.854 -178.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 37.5 m-85 -134.62 66.41 69.49 Favored Pre-proline 0 CA--C 1.501 -0.911 0 CA-C-O 121.953 0.882 . . . . 27.15 109.745 -171.299 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -58.61 -13.19 16.5 Favored 'Trans proline' 0 C--O 1.186 -2.105 0 C-N-CA 121.611 1.541 . . . . 22.61 112.338 -171.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -102.69 12.46 36.28 Favored 'General case' 0 C--O 1.261 1.685 0 C-N-CA 118.332 -1.347 . . . . 33.82 110.624 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -114.74 152.68 31.63 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.36 1.038 . . . . 24.4 111.998 173.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . 0.306 29.0 t -120.59 125.62 27.07 Favored Pre-proline 0 N--CA 1.433 -1.315 0 N-CA-C 106.109 -1.812 . . . . 27.45 106.109 178.327 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -85.87 126.12 2.87 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 122.187 1.925 . . . . 16.88 111.238 174.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.14 142.37 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 126.436 2.335 . . . . 19.32 110.999 -176.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.6 mm -112.34 124.9 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 N-CA-C 106.583 -1.636 . . . . 18.94 106.583 171.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -118.36 126.8 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 C-N-CA 124.71 1.204 . . . . 17.77 111.027 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -138.41 153.39 48.89 Favored 'General case' 0 C--O 1.288 3.089 0 CA-C-O 121.751 0.786 . . . . 23.2 108.901 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -84.59 134.25 34.4 Favored 'General case' 0 C--O 1.267 1.979 0 CA-C-N 112.855 -1.975 . . . . 21.22 108.563 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.66 132.25 64.79 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 107.237 -1.394 . . . . 19.3 107.237 168.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' 2044 ' ' HOH . 68.0 Cg_exo -57.01 -37.68 97.89 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 N-CA-C 116.25 1.596 . . . . 23.67 116.25 -172.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -82.89 -10.36 58.86 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 122.618 1.199 . . . . 35.13 111.913 -174.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.5 130.1 42.39 Favored 'General case' 0 N--CA 1.421 -1.885 0 O-C-N 120.986 -1.071 . . . . 22.01 109.366 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -93.1 41.51 1.08 Allowed 'General case' 0 C--O 1.253 1.246 0 N-CA-C 115.572 1.693 . . . . 47.81 115.572 -173.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.8 pt -124.89 -178.57 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 124.104 0.877 . . . . 28.53 112.669 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.47 141.7 34.49 Favored Glycine 0 C--O 1.219 -0.797 0 N-CA-C 117.391 1.716 . . . . 28.72 117.391 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . 0.701 ' OD2' ' O ' ' A' 2045 ' ' HOH . 9.7 t0 -94.55 160.56 14.58 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 101.822 -3.399 . . . . 33.86 101.822 -176.807 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -92.41 137.42 32.38 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 127.814 3.673 . . . . 31.48 116.793 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . 0.781 ' OD2' ' NE ' ' A' ' 67' ' ' ARG 0.376 0.0 OUTLIER -64.78 -65.99 0.6 Allowed 'General case' 1 N--CA 1.372 -4.351 1 CA-C-N 107.279 -4.51 . . . . 41.07 109.242 -177.242 . . . . . . . . 6 4 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -107.58 132.62 53.09 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 104.934 -2.247 . . . . 34.58 104.934 -176.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -98.42 -21.86 16.35 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.924 1.824 . . . . 27.51 115.924 174.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -106.28 125.66 51.28 Favored 'General case' 0 C--O 1.26 1.636 0 N-CA-C 116.001 1.852 . . . . 33.22 116.001 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -127.38 139.06 53.11 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 115.482 -0.781 . . . . 24.1 110.495 -175.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 50' ' ' LEU . 15.7 tp -111.35 99.43 8.23 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 105.141 -2.17 . . . . 25.16 105.141 171.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.4 m -107.36 159.26 30.82 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 117.91 -1.516 . . . . 24.58 111.427 -173.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -64.83 134.82 41.95 Favored 'Trans proline' 0 CA--C 1.489 -1.737 0 C-N-CA 122.26 1.973 . . . . 18.82 111.977 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.3 p -57.01 -28.72 62.72 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.532 -0.758 . . . . 17.39 112.418 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -92.2 -1.92 56.84 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 124.776 1.298 . . . . 31.89 111.035 -174.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.25 136.49 57.95 Favored 'General case' 0 C--O 1.205 -1.245 0 CA-C-O 121.86 0.838 . . . . 21.08 112.092 170.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -85.59 156.57 20.67 Favored 'General case' 0 C--O 1.188 -2.145 0 CA-C-O 124.03 1.871 . . . . 18.21 113.948 177.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.76 -40.69 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 O-C-N 120.57 -1.331 . . . . 22.23 109.978 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.91 -42.2 96.61 Favored Glycine 0 N--CA 1.426 -2.01 0 O-C-N 121.207 -0.933 . . . . 16.24 113.685 174.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.21 -43.51 94.8 Favored 'General case' 0 C--O 1.19 -2.075 0 CA-C-N 118.044 0.922 . . . . 18.61 109.48 177.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -65.9 -41.51 91.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 119.183 -1.007 . . . . 21.02 109.035 -177.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -50.01 -45.92 52.34 Favored 'General case' 0 C--O 1.275 2.433 0 O-C-N 120.485 -1.384 . . . . 30.15 111.528 171.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -64.07 -42.56 96.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 117.959 -1.019 . . . . 25.63 109.874 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.73 -47.74 83.88 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 113.127 0.788 . . . . 23.79 113.127 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.4 mm -68.83 -39.77 80.45 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.425 0 N-CA-C 109.144 -0.688 . . . . 20.58 109.144 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 47.0 mtt-85 -57.23 -44.41 83.75 Favored 'General case' 0 C--O 1.274 2.365 0 CA-C-O 123.965 1.841 . . . . 27.74 110.03 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -69.54 -30.38 68.18 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-N 112.692 -2.049 . . . . 39.53 112.413 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ARG . . . . . 0.781 ' NE ' ' OD2' ' A' ' 45' ' ' ASP . 59.8 mtp85 -68.93 -34.84 76.04 Favored 'General case' 0 C--O 1.281 2.713 0 N-CA-C 115.165 1.543 . . . . 30.72 115.165 171.893 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 pt -99.5 13.73 5.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 C-N-CA 119.873 -0.731 . . . . 20.02 112.598 178.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' HIS . . . . . 0.731 ' CD2' ' O ' ' A' 2060 ' ' HOH . 28.1 m170 60.31 49.01 7.43 Favored 'General case' 0 C--O 1.274 2.373 0 N-CA-C 115.79 1.774 . . . . 23.75 115.79 172.914 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 24.2 mt -119.63 141.0 49.71 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 113.832 -1.531 . . . . 28.21 109.963 177.019 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ARG . . . . . 0.531 ' NH1' ' O ' ' A' 2064 ' ' HOH . 92.8 mtt180 -99.85 176.88 5.29 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 119.985 -0.686 . . . . 41.86 111.835 178.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.12 -33.45 39.91 Favored 'General case' 0 N--CA 1.416 -2.156 0 O-C-N 124.664 1.228 . . . . 24.55 109.037 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.7 pm0 -79.08 -2.01 38.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 116.331 1.974 . . . . 28.15 116.331 -176.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -104.65 138.49 40.9 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 119.44 -0.904 . . . . 22.11 110.331 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.4 135.37 51.64 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 118.288 -1.365 . . . . 22.11 110.603 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.9 tp -156.5 126.97 6.62 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 112.82 -1.991 . . . . 23.19 109.102 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -132.1 134.83 45.92 Favored 'General case' 0 N--CA 1.403 -2.788 0 CA-C-N 114.65 -1.159 . . . . 17.91 113.16 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -93.03 137.05 32.74 Favored 'General case' 0 CA--C 1.479 -1.766 0 C-N-CA 124.796 1.238 . . . . 23.48 112.27 173.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -127.87 125.76 40.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 119.388 -0.339 . . . . 22.91 110.416 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.81 113.25 33.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 106.95 -1.5 . . . . 19.95 106.95 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . 0.832 ' O ' ' O ' ' A' 2072 ' ' HOH . 89.7 m-20 50.71 45.87 26.53 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-O 123.689 1.709 . . . . 23.05 109.527 -172.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 59.84 17.36 6.42 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 116.77 2.137 . . . . 24.36 116.77 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.6 t -110.37 135.92 47.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-O 119.247 -0.406 . . . . 23.27 111.5 173.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -93.55 116.15 66.07 Favored Pre-proline 0 N--CA 1.494 1.769 0 N-CA-C 104.227 -2.508 . . . . 19.62 104.227 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -79.48 153.84 23.96 Favored 'Trans proline' 0 C--N 1.291 -2.488 0 N-CA-C 110.03 -0.796 . . . . 17.3 110.03 -172.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -70.82 149.83 60.77 Favored 'Trans proline' 0 C--O 1.188 -1.983 0 C-N-CA 123.156 2.571 . . . . 17.46 111.068 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 50.3 p -65.61 -21.55 66.59 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 117.649 -1.167 . . . . 19.04 112.214 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.1 p -81.3 -10.59 59.54 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 117.62 2.452 . . . . 16.76 117.62 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.9 149.19 41.62 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 107.608 -1.256 . . . . 17.94 107.608 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.1 p -89.82 159.14 17.15 Favored 'General case' 0 C--O 1.196 -1.759 0 N-CA-C 109.21 -0.663 . . . . 22.1 109.21 174.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.9 mmm -69.29 -27.01 65.03 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 118.101 -1.44 . . . . 18.95 108.513 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 96' ' ' GLN . . . -67.2 -38.77 92.18 Favored Glycine 0 N--CA 1.426 -2.014 0 CA-C-O 117.49 -1.728 . . . . 16.14 110.535 177.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.84 -42.16 86.22 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 118.562 1.181 . . . . 33.76 108.629 178.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.3 tp -62.01 -44.03 97.59 Favored 'General case' 0 C--O 1.27 2.149 0 CA-C-O 123.124 1.44 . . . . 27.29 110.264 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -59.01 -46.04 89.18 Favored 'General case' 0 C--O 1.195 -1.779 0 CA-C-N 112.767 -2.015 . . . . 19.93 111.389 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 92' ' ' GLY . 42.3 mt-30 -63.94 -39.32 93.88 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 120.027 -1.67 . . . . 36.24 113.466 -176.431 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -75.78 -30.57 59.15 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 114.624 1.342 . . . . 33.99 114.624 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -133.31 6.21 3.83 Favored 'General case' 0 C--O 1.193 -1.882 0 N-CA-C 116.071 1.878 . . . . 25.65 116.071 -163.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -61.42 149.6 37.98 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 118.803 -2.436 . . . . 21.63 114.916 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -86.38 176.08 8.07 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 115.123 -0.944 . . . . 20.88 109.21 178.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . 0.796 ' OE2' ' O ' ' A' 2091 ' ' HOH . 65.0 mm-40 -78.94 -2.98 42.62 Favored 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 118.05 -1.46 . . . . 30.11 114.074 -173.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -87.18 9.29 20.52 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.646 -0.659 . . . . 15.16 112.301 167.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 64.02 18.79 11.43 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 115.337 1.606 . . . . 28.54 115.337 -178.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -105.29 154.32 20.41 Favored 'General case' 0 C--O 1.188 -2.152 0 N-CA-C 108.848 -0.797 . . . . 19.65 108.848 170.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 tp -102.21 130.23 48.81 Favored 'General case' 0 C--O 1.276 2.488 0 N-CA-C 105.617 -1.994 . . . . 16.09 105.617 170.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -108.05 123.86 49.33 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-N 114.494 -1.23 . . . . 16.5 113.151 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.1 mt -118.31 126.88 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.788 0 CA-C-N 114.564 -1.198 . . . . 23.06 111.036 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.36 146.17 30.78 Favored 'General case' 0 N--CA 1.418 -2.07 0 N-CA-C 107.013 -1.477 . . . . 19.52 107.013 172.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -126.27 146.72 49.89 Favored 'General case' 0 C--O 1.247 0.964 0 C-N-CA 119.695 -0.802 . . . . 25.15 111.005 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 111' ' ' ASP . 36.6 t -152.87 174.9 13.5 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-N 114.867 -1.061 . . . . 19.04 111.377 -177.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASP . . . . . 0.429 ' N ' ' OG ' ' A' ' 110' ' ' SER . 27.3 p-10 -100.96 -2.62 31.34 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 118.62 -1.232 . . . . 25.18 111.812 178.659 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -114.81 141.26 48.12 Favored 'General case' 0 CA--C 1.471 -2.081 0 C-N-CA 125.281 1.432 . . . . 35.15 112.019 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -107.26 -25.39 11.51 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 116.866 2.173 . . . . 20.83 116.866 -170.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' VAL . . . . . 0.58 HG13 ' CG ' ' A' ' 115' ' ' TYR . 7.4 p -76.0 -35.36 29.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 C-N-CA 117.9 -1.52 . . . . 23.12 114.169 -165.707 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' TYR . . . . . 0.58 ' CG ' HG13 ' A' ' 114' ' ' VAL . 23.1 m-85 -103.66 142.05 35.0 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 115.683 1.734 . . . . 21.38 115.683 -167.374 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.87 149.22 47.59 Favored Glycine 0 N--CA 1.418 -2.561 0 CA-C-N 114.068 -1.424 . . . . 21.8 111.801 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . 0.784 ' OXT' ' O ' ' A' 2100 ' ' HOH . 82.0 mt . . . . . 0 C--O 1.251 1.165 0 CA-C-N 113.854 -1.173 . . . . 30.09 110.291 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 200' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . 0.499 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2005 ' ' HOH . . . . . 0.558 ' O ' ' HE2' ' A' ' 6' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2009 ' ' HOH . . . . . 0.726 ' O ' ' OE2' ' A' ' 12' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2011 ' ' HOH . . . . . 1.086 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2027 ' ' HOH . . . . . 0.82 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2044 ' ' HOH . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2045 ' ' HOH . . . . . 0.701 ' O ' ' OD2' ' A' ' 43' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2049 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2050 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2051 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2052 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2053 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2054 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2055 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2056 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2057 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2058 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2059 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2060 ' ' HOH . . . . . 0.731 ' O ' ' CD2' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2061 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2062 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2063 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2064 ' ' HOH . . . . . 0.531 ' O ' ' NH1' ' A' ' 71' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2065 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2066 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2067 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2068 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2069 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2070 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2071 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2072 ' ' HOH . . . . . 0.832 ' O ' ' O ' ' A' ' 81' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2073 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2074 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2075 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2076 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2077 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2078 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2079 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2080 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2081 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2082 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2083 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2084 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2085 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2086 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2087 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2088 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2089 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2090 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2091 ' ' HOH . . . . . 0.796 ' O ' ' OE2' ' A' ' 101' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2092 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2093 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2094 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2095 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2096 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2097 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2098 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2099 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2100 ' ' HOH . . . . . 0.784 ' O ' ' OXT' ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.4 ttp . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.292 -1.003 . . . . 35.25 108.292 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.499 ' HA ' ' O ' ' A' 2002 ' ' HOH . 41.7 mmtt -74.4 128.44 35.56 Favored 'General case' 0 CA--C 1.555 1.155 0 N-CA-C 113.92 1.082 . . . . 39.67 113.92 167.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -98.06 133.13 42.94 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 114.786 1.402 . . . . 24.22 114.786 174.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -55.88 -38.42 51.95 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.856 0 CA-C-O 122.527 1.156 . . . . 26.26 108.336 178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 38.3 t80 -60.17 -36.32 77.33 Favored 'General case' 0 C--O 1.258 1.508 0 O-C-N 120.761 -1.212 . . . . 28.84 114.161 179.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.558 ' HE2' ' O ' ' A' 2005 ' ' HOH . 58.6 mtpt -73.95 -34.68 64.38 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-O 118.947 -0.549 . . . . 30.66 109.902 179.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -64.17 -39.89 94.95 Favored 'General case' 0 C--O 1.278 2.553 0 C-N-CA 124.411 1.084 . . . . 35.59 112.213 177.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . 0.286 11.9 pt-20 -94.64 -14.43 24.91 Favored 'General case' 0 C--O 1.206 -1.207 0 N-CA-C 117.105 2.261 . . . . 43.93 117.105 -172.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -121.07 122.06 28.45 Favored Pre-proline 0 C--O 1.267 2.011 0 N-CA-C 109.279 -0.637 . . . . 33.38 109.279 177.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -64.51 147.48 90.4 Favored 'Trans proline' 0 N--CA 1.456 -0.695 0 CA-C-N 120.589 1.246 . . . . 20.45 111.47 -179.118 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.418 ' HE2' ' CZ ' ' A' ' 15' ' ' ARG . 81.7 t80 -45.73 -48.0 15.28 Favored 'General case' 0 C--O 1.189 -2.104 0 N-CA-C 115.35 1.611 . . . . 18.6 115.35 179.555 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.726 ' OE2' ' O ' ' A' 2009 ' ' HOH . 2.2 tp10 -64.08 -33.41 75.7 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.954 0.883 . . . . 37.99 109.654 -172.351 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . 1.086 ' NZ ' ' O ' ' A' 2011 ' ' HOH . 22.5 tptt -71.72 -39.1 70.36 Favored 'General case' 0 C--N 1.31 -1.15 0 C-N-CA 120.166 -0.614 . . . . 36.77 112.015 177.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.9 mtm-85 -65.08 -43.86 90.78 Favored 'General case' 0 CA--C 1.481 -1.698 0 CA-C-O 121.604 0.716 . . . . 28.98 109.182 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.55 ' NH2' ' OE1' ' A' ' 12' ' ' GLU . 21.0 ttp180 -59.67 -47.4 85.78 Favored 'General case' 0 N--CA 1.385 -3.695 0 C-N-CA 119.169 -1.012 . . . . 29.93 112.18 178.69 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.6 p -58.82 -39.67 81.89 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 119.165 -1.014 . . . . 17.93 109.81 -175.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -68.35 -43.7 76.87 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.38 0.61 . . . . 33.47 111.433 179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -62.57 -44.22 97.88 Favored Glycine 0 C--O 1.274 2.612 0 CA-C-O 123.768 1.76 . . . . 16.14 112.952 -178.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -59.77 -43.06 94.54 Favored 'General case' 0 CA--C 1.497 -1.088 0 C-N-CA 118.246 -1.382 . . . . 32.02 113.602 178.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' 2027 ' ' HOH . 45.3 tttt -64.84 -40.87 95.87 Favored 'General case' 0 N--CA 1.402 -2.83 0 CA-C-N 115.096 -0.956 . . . . 33.71 110.173 -176.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 67.7 mt -67.98 -40.17 82.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.501 0 C-N-CA 120.894 -0.322 . . . . 22.58 110.349 -176.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 25.3 mmm180 -71.44 -31.08 66.79 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-O 122.15 0.976 . . . . 32.67 110.296 -179.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.82 ' NZ ' ' O ' ' A' 2027 ' ' HOH . 0.0 OUTLIER -75.17 -41.91 57.03 Favored 'General case' 0 C--O 1.246 0.92 0 C-N-CA 117.482 -1.687 . . . . 32.87 111.077 178.809 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.557 ' HG2' ' CE1' ' A' ' 25' ' ' TYR . 24.1 ttmt -73.73 -36.0 65.13 Favored 'General case' 0 N--CA 1.428 -1.564 0 CA-C-N 114.589 -1.187 . . . . 37.14 112.854 -178.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.557 ' CE1' ' HG2' ' A' ' 24' ' ' LYS . 37.5 m-85 -134.62 66.41 69.49 Favored Pre-proline 0 CA--C 1.501 -0.911 0 CA-C-O 121.953 0.882 . . . . 27.15 109.745 -171.299 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -58.61 -13.19 16.5 Favored 'Trans proline' 0 C--O 1.186 -2.105 0 C-N-CA 121.611 1.541 . . . . 22.61 112.338 -171.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -102.69 12.46 36.28 Favored 'General case' 0 C--O 1.261 1.685 0 C-N-CA 118.332 -1.347 . . . . 33.82 110.624 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -114.74 152.68 31.63 Favored 'General case' 0 N--CA 1.477 0.876 0 O-C-N 124.36 1.038 . . . . 24.4 111.998 173.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . 0.306 29.0 t -120.59 125.62 27.07 Favored Pre-proline 0 N--CA 1.433 -1.315 0 N-CA-C 106.109 -1.812 . . . . 27.45 106.109 178.327 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -85.87 126.12 2.87 Favored 'Trans proline' 0 CA--C 1.504 -1.013 0 C-N-CA 122.187 1.925 . . . . 16.88 111.238 174.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 5.0 t -126.14 142.37 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.38 0 O-C-N 126.436 2.335 . . . . 19.32 110.999 -176.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.6 mm -112.34 124.9 69.48 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.006 0 N-CA-C 106.583 -1.636 . . . . 18.94 106.583 171.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.4 t -118.36 126.8 75.34 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 C-N-CA 124.71 1.204 . . . . 17.77 111.027 -179.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 82.3 mt-10 -138.41 153.39 48.89 Favored 'General case' 0 C--O 1.288 3.089 0 CA-C-O 121.751 0.786 . . . . 23.2 108.901 -179.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.6 ttpp -84.59 134.25 34.4 Favored 'General case' 0 C--O 1.267 1.979 0 CA-C-N 112.855 -1.975 . . . . 21.22 108.563 179.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.66 132.25 64.79 Favored Pre-proline 0 CA--C 1.55 0.951 0 N-CA-C 107.237 -1.394 . . . . 19.3 107.237 168.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HD2' ' O ' ' A' 2044 ' ' HOH . 68.0 Cg_exo -57.01 -37.68 97.89 Favored 'Trans proline' 0 C--N 1.316 -1.158 0 N-CA-C 116.25 1.596 . . . . 23.67 116.25 -172.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -82.89 -10.36 58.86 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 122.618 1.199 . . . . 35.13 111.913 -174.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.5 130.1 42.39 Favored 'General case' 0 N--CA 1.421 -1.885 0 O-C-N 120.986 -1.071 . . . . 22.01 109.366 -177.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -93.1 41.51 1.08 Allowed 'General case' 0 C--O 1.253 1.246 0 N-CA-C 115.572 1.693 . . . . 47.81 115.572 -173.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.8 pt -124.89 -178.57 1.96 Allowed 'Isoleucine or valine' 0 C--O 1.217 -0.632 0 O-C-N 124.104 0.877 . . . . 28.53 112.669 179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -54.47 141.7 34.49 Favored Glycine 0 C--O 1.219 -0.797 0 N-CA-C 117.391 1.716 . . . . 28.72 117.391 -176.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.701 ' OD2' ' O ' ' A' 2045 ' ' HOH . 9.7 t0 -94.55 160.56 14.58 Favored 'General case' 0 N--CA 1.421 -1.903 0 N-CA-C 101.822 -3.399 . . . . 33.86 101.822 -176.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -92.41 137.42 32.38 Favored 'General case' 0 CA--C 1.48 -1.737 0 CA-C-O 127.814 3.673 . . . . 31.48 116.793 -177.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.781 ' OD2' ' NE ' ' A' ' 67' ' ' ARG 0.376 0.0 OUTLIER -64.78 -65.99 0.6 Allowed 'General case' 1 N--CA 1.372 -4.351 1 CA-C-N 107.279 -4.51 . . . . 41.07 109.242 -177.242 . . . . . . . . 6 4 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -107.58 132.62 53.09 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 104.934 -2.247 . . . . 34.58 104.934 -176.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 12.6 ptpt -98.42 -21.86 16.35 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 115.924 1.824 . . . . 27.51 115.924 174.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -106.28 125.66 51.28 Favored 'General case' 0 C--O 1.26 1.636 0 N-CA-C 116.001 1.852 . . . . 33.22 116.001 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -127.38 139.06 53.11 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 115.482 -0.781 . . . . 24.1 110.495 -175.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.41 ' HA ' HD12 ' A' ' 50' ' ' LEU . 15.7 tp -111.35 99.43 8.23 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 105.141 -2.17 . . . . 25.16 105.141 171.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 10.4 m -107.36 159.26 30.82 Favored Pre-proline 0 C--N 1.326 -0.418 0 C-N-CA 117.91 -1.516 . . . . 24.58 111.427 -173.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -64.83 134.82 41.95 Favored 'Trans proline' 0 CA--C 1.489 -1.737 0 C-N-CA 122.26 1.973 . . . . 18.82 111.977 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.3 p -57.01 -28.72 62.72 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 115.532 -0.758 . . . . 17.39 112.418 -179.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 47.2 p-10 -92.2 -1.92 56.84 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 124.776 1.298 . . . . 31.89 111.035 -174.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.2 tp -62.25 136.49 57.95 Favored 'General case' 0 C--O 1.205 -1.245 0 CA-C-O 121.86 0.838 . . . . 21.08 112.092 170.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.0 p -85.59 156.57 20.67 Favored 'General case' 0 C--O 1.188 -2.145 0 CA-C-O 124.03 1.871 . . . . 18.21 113.948 177.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.1 t -59.76 -40.69 83.2 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 O-C-N 120.57 -1.331 . . . . 22.23 109.978 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -58.91 -42.2 96.61 Favored Glycine 0 N--CA 1.426 -2.01 0 O-C-N 121.207 -0.933 . . . . 16.24 113.685 174.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -64.21 -43.51 94.8 Favored 'General case' 0 C--O 1.19 -2.075 0 CA-C-N 118.044 0.922 . . . . 18.61 109.48 177.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -65.9 -41.51 91.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 119.183 -1.007 . . . . 21.02 109.035 -177.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -50.01 -45.92 52.34 Favored 'General case' 0 C--O 1.275 2.433 0 O-C-N 120.485 -1.384 . . . . 30.15 111.528 171.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -64.07 -42.56 96.93 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 117.959 -1.019 . . . . 25.63 109.874 -179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 57.2 mt -61.73 -47.74 83.88 Favored 'General case' 0 C--N 1.347 0.467 0 N-CA-C 113.127 0.788 . . . . 23.79 113.127 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 43.4 mm -68.83 -39.77 80.45 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.425 0 N-CA-C 109.144 -0.688 . . . . 20.58 109.144 -178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.521 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 47.0 mtt-85 -57.23 -44.41 83.75 Favored 'General case' 0 C--O 1.274 2.365 0 CA-C-O 123.965 1.841 . . . . 27.74 110.03 178.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.8 tttp -69.54 -30.38 68.18 Favored 'General case' 0 N--CA 1.432 -1.338 0 CA-C-N 112.692 -2.049 . . . . 39.53 112.413 -176.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.781 ' NE ' ' OD2' ' A' ' 45' ' ' ASP . 59.8 mtp85 -68.93 -34.84 76.04 Favored 'General case' 0 C--O 1.281 2.713 0 N-CA-C 115.165 1.543 . . . . 30.72 115.165 171.893 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.1 pt -99.5 13.73 5.06 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.859 0 C-N-CA 119.873 -0.731 . . . . 20.02 112.598 178.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.731 ' CD2' ' O ' ' A' 2060 ' ' HOH . 28.1 m170 60.31 49.01 7.43 Favored 'General case' 0 C--O 1.274 2.373 0 N-CA-C 115.79 1.774 . . . . 23.75 115.79 172.914 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 65' ' ' ARG . 24.2 mt -119.63 141.0 49.71 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 113.832 -1.531 . . . . 28.21 109.963 177.019 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.531 ' NH1' ' O ' ' A' 2064 ' ' HOH . 92.8 mtt180 -99.85 176.88 5.29 Favored 'General case' 0 CA--C 1.501 -0.915 0 C-N-CA 119.985 -0.686 . . . . 41.86 111.835 178.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -52.12 -33.45 39.91 Favored 'General case' 0 N--CA 1.416 -2.156 0 O-C-N 124.664 1.228 . . . . 24.55 109.037 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 21.7 pm0 -79.08 -2.01 38.55 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 116.331 1.974 . . . . 28.15 116.331 -176.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -104.65 138.49 40.9 Favored 'General case' 0 CA--C 1.494 -1.187 0 C-N-CA 119.44 -0.904 . . . . 22.11 110.331 -179.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -68.4 135.37 51.64 Favored 'General case' 0 N--CA 1.431 -1.391 0 C-N-CA 118.288 -1.365 . . . . 22.11 110.603 -179.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 63.9 tp -156.5 126.97 6.62 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 112.82 -1.991 . . . . 23.19 109.102 175.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -132.1 134.83 45.92 Favored 'General case' 0 N--CA 1.403 -2.788 0 CA-C-N 114.65 -1.159 . . . . 17.91 113.16 -179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -93.03 137.05 32.74 Favored 'General case' 0 CA--C 1.479 -1.766 0 C-N-CA 124.796 1.238 . . . . 23.48 112.27 173.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -127.87 125.76 40.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 119.388 -0.339 . . . . 22.91 110.416 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.81 113.25 33.72 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.374 0 N-CA-C 106.95 -1.5 . . . . 19.95 106.95 176.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.832 ' O ' ' O ' ' A' 2072 ' ' HOH . 89.7 m-20 50.71 45.87 26.53 Favored 'General case' 0 CA--C 1.482 -1.647 0 CA-C-O 123.689 1.709 . . . . 23.05 109.527 -172.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.0 m-20 59.84 17.36 6.42 Favored 'General case' 0 N--CA 1.422 -1.873 0 N-CA-C 116.77 2.137 . . . . 24.36 116.77 179.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 93.6 t -110.37 135.92 47.96 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.472 0 CA-C-O 119.247 -0.406 . . . . 23.27 111.5 173.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 96.5 mt -93.55 116.15 66.07 Favored Pre-proline 0 N--CA 1.494 1.769 0 N-CA-C 104.227 -2.508 . . . . 19.62 104.227 -179.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_endo -79.48 153.84 23.96 Favored 'Trans proline' 0 C--N 1.291 -2.488 0 N-CA-C 110.03 -0.796 . . . . 17.3 110.03 -172.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -70.82 149.83 60.77 Favored 'Trans proline' 0 C--O 1.188 -1.983 0 C-N-CA 123.156 2.571 . . . . 17.46 111.068 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 50.3 p -65.61 -21.55 66.59 Favored 'General case' 0 C--O 1.202 -1.431 0 CA-C-O 117.649 -1.167 . . . . 19.04 112.214 -178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.1 p -81.3 -10.59 59.54 Favored 'General case' 0 C--N 1.361 1.096 0 N-CA-C 117.62 2.452 . . . . 16.76 117.62 178.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.9 149.19 41.62 Favored 'General case' 0 CA--C 1.559 1.315 0 N-CA-C 107.608 -1.256 . . . . 17.94 107.608 179.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.1 p -89.82 159.14 17.15 Favored 'General case' 0 C--O 1.196 -1.759 0 N-CA-C 109.21 -0.663 . . . . 22.1 109.21 174.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 95.9 mmm -69.29 -27.01 65.03 Favored 'General case' 0 C--O 1.196 -1.74 0 C-N-CA 118.101 -1.44 . . . . 18.95 108.513 -179.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 96' ' ' GLN . . . -67.2 -38.77 92.18 Favored Glycine 0 N--CA 1.426 -2.014 0 CA-C-O 117.49 -1.728 . . . . 16.14 110.535 177.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -66.84 -42.16 86.22 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 118.562 1.181 . . . . 33.76 108.629 178.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.3 tp -62.01 -44.03 97.59 Favored 'General case' 0 C--O 1.27 2.149 0 CA-C-O 123.124 1.44 . . . . 27.29 110.264 -178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -59.01 -46.04 89.18 Favored 'General case' 0 C--O 1.195 -1.779 0 CA-C-N 112.767 -2.015 . . . . 19.93 111.389 176.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 92' ' ' GLY . 42.3 mt-30 -63.94 -39.32 93.88 Favored 'General case' 0 N--CA 1.444 -0.734 0 O-C-N 120.027 -1.67 . . . . 36.24 113.466 -176.431 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -75.78 -30.57 59.15 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 114.624 1.342 . . . . 33.99 114.624 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -133.31 6.21 3.83 Favored 'General case' 0 C--O 1.193 -1.882 0 N-CA-C 116.071 1.878 . . . . 25.65 116.071 -163.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 25.5 p80 -61.42 149.6 37.98 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 118.803 -2.436 . . . . 21.63 114.916 173.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 68.2 mt-10 -86.38 176.08 8.07 Favored 'General case' 0 N--CA 1.428 -1.537 0 CA-C-N 115.123 -0.944 . . . . 20.88 109.21 178.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.796 ' OE2' ' O ' ' A' 2091 ' ' HOH . 65.0 mm-40 -78.94 -2.98 42.62 Favored 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 118.05 -1.46 . . . . 30.11 114.074 -173.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -87.18 9.29 20.52 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 121.646 -0.659 . . . . 15.16 112.301 167.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 64.02 18.79 11.43 Favored 'General case' 0 N--CA 1.435 -1.179 0 N-CA-C 115.337 1.606 . . . . 28.54 115.337 -178.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -105.29 154.32 20.41 Favored 'General case' 0 C--O 1.188 -2.152 0 N-CA-C 108.848 -0.797 . . . . 19.65 108.848 170.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.0 tp -102.21 130.23 48.81 Favored 'General case' 0 C--O 1.276 2.488 0 N-CA-C 105.617 -1.994 . . . . 16.09 105.617 170.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -108.05 123.86 49.33 Favored 'General case' 0 C--O 1.265 1.879 0 CA-C-N 114.494 -1.23 . . . . 16.5 113.151 -179.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.1 mt -118.31 126.88 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.479 -1.788 0 CA-C-N 114.564 -1.198 . . . . 23.06 111.036 177.304 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -106.36 146.17 30.78 Favored 'General case' 0 N--CA 1.418 -2.07 0 N-CA-C 107.013 -1.477 . . . . 19.52 107.013 172.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 23.0 p90 -126.27 146.72 49.89 Favored 'General case' 0 C--O 1.247 0.964 0 C-N-CA 119.695 -0.802 . . . . 25.15 111.005 179.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' SER . . . . . 0.429 ' OG ' ' N ' ' A' ' 111' ' ' ASP . 36.6 t -152.87 174.9 13.5 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-N 114.867 -1.061 . . . . 19.04 111.377 -177.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.429 ' N ' ' OG ' ' A' ' 110' ' ' SER . 27.3 p-10 -100.96 -2.62 31.34 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 118.62 -1.232 . . . . 25.18 111.812 178.659 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -114.81 141.26 48.12 Favored 'General case' 0 CA--C 1.471 -2.081 0 C-N-CA 125.281 1.432 . . . . 35.15 112.019 176.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 51.2 p -107.26 -25.39 11.51 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 116.866 2.173 . . . . 20.83 116.866 -170.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.58 HG13 ' CG ' ' A' ' 115' ' ' TYR . 7.4 p -76.0 -35.36 29.11 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 C-N-CA 117.9 -1.52 . . . . 23.12 114.169 -165.707 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' TYR . . . . . 0.58 ' CG ' HG13 ' A' ' 114' ' ' VAL . 23.1 m-85 -103.66 142.05 35.0 Favored 'General case' 0 CA--C 1.496 -1.129 0 N-CA-C 115.683 1.734 . . . . 21.38 115.683 -167.374 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -69.87 149.22 47.59 Favored Glycine 0 N--CA 1.418 -2.561 0 CA-C-N 114.068 -1.424 . . . . 21.8 111.801 176.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.784 ' OXT' ' O ' ' A' 2100 ' ' HOH . 82.0 mt . . . . . 0 C--O 1.251 1.165 0 CA-C-N 113.854 -1.173 . . . . 30.09 110.291 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 200' ' ' ' NI' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . 0.499 ' O ' ' HA ' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2005 ' ' HOH . . . . . 0.558 ' O ' ' HE2' ' A' ' 6' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2009 ' ' HOH . . . . . 0.726 ' O ' ' OE2' ' A' ' 12' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2011 ' ' HOH . . . . . 1.086 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2016 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2021 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2022 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2023 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2024 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2025 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2027 ' ' HOH . . . . . 0.82 ' O ' ' NZ ' ' A' ' 23' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2028 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2029 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2030 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2031 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2033 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2034 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2035 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2036 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2037 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2038 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2039 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2040 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2042 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2043 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2044 ' ' HOH . . . . . 0.46 ' O ' ' HD2' ' A' ' 37' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2045 ' ' HOH . . . . . 0.701 ' O ' ' OD2' ' A' ' 43' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2047 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2048 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2049 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2050 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2051 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2052 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2053 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2054 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2055 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2056 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2057 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2058 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2059 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2060 ' ' HOH . . . . . 0.731 ' O ' ' CD2' ' A' ' 69' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2061 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2062 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2063 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2064 ' ' HOH . . . . . 0.531 ' O ' ' NH1' ' A' ' 71' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2065 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2066 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2067 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2068 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2069 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2070 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2071 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2072 ' ' HOH . . . . . 0.832 ' O ' ' O ' ' A' ' 81' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2073 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2074 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2075 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2076 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2077 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2078 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2079 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2080 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2081 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2082 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2083 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2084 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2085 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2086 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2087 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2088 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2089 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2090 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2091 ' ' HOH . . . . . 0.796 ' O ' ' OE2' ' A' ' 101' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2092 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2093 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2094 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2095 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2096 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2097 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2098 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2099 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2100 ' ' HOH . . . . . 0.784 ' O ' ' OXT' ' A' ' 117' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_