data_1r0h_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 1r0h _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 . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.271 0.558 . . . . 34.38 111.416 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -92.88 146.67 23.46 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 115.627 -0.715 . . . . 37.62 110.461 -170.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -77.28 149.27 35.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.628 0.58 . . . . 33.24 110.939 168.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -126.74 142.47 51.53 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 109.608 -0.516 . . . . 22.16 109.608 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 t -115.89 143.28 45.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.779 -0.768 . . . . 23.5 111.49 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.6 t -75.26 116.95 16.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.203 -0.908 . . . . 18.66 108.796 172.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.9 p -79.26 -7.89 58.62 Favored 'General case' 0 C--O 1.249 1.053 0 C-N-CA 119.311 -0.956 . . . . 21.79 112.658 -173.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 t -85.19 -45.71 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 118.971 -0.538 . . . . 23.97 112.138 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 9.0 p -121.51 -13.87 8.32 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 116.651 2.093 . . . . 25.48 116.651 -175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.22 -4.15 64.65 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 116.489 1.355 . . . . 20.44 116.489 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -47.79 136.87 10.28 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 117.912 0.856 . . . . 25.86 109.971 171.406 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 146' ' ' HOH . 5.5 mm -109.48 121.34 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 N-CA-C 109.112 -0.699 . . . . 26.78 109.112 177.474 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -82.46 117.87 22.81 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 121.136 0.493 . . . . 19.19 110.001 169.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -108.63 114.4 58.9 Favored Pre-proline 0 CA--C 1.515 -0.392 0 N-CA-C 108.107 -1.071 . . . . 26.23 108.107 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.46 -27.74 82.74 Favored 'Trans proline' 0 C--N 1.323 -0.798 0 CA-C-O 118.038 -0.901 . . . . 21.98 112.898 -176.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.44 -34.51 74.08 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.522 1.304 . . . . 39.63 114.522 171.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -92.04 -26.01 18.54 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 113.983 1.105 . . . . 30.43 113.983 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.1 -156.3 19.92 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-O 122.996 1.331 . . . . 20.9 114.796 -166.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -140.29 68.54 33.19 Favored Pre-proline 0 N--CA 1.436 -1.129 0 N-CA-C 106.238 -1.764 . . . . 19.61 106.238 170.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -58.7 -31.97 95.94 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 N-CA-C 116.492 1.689 . . . . 21.0 116.492 -170.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.22 -24.43 67.23 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 123.619 0.575 . . . . 32.45 112.2 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -111.36 21.35 16.35 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 112.241 0.459 . . . . 28.65 112.241 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.87 14.57 72.3 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 117.522 1.769 . . . . 20.62 117.522 170.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -106.23 105.89 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 105.895 -1.891 . . . . 17.35 105.895 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -77.02 155.81 82.49 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 116.259 -0.428 . . . . 17.13 110.556 -171.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -52.68 144.45 42.79 Favored 'Trans proline' 0 CA--C 1.503 -1.042 0 C-N-CA 120.723 0.949 . . . . 19.02 111.328 172.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.4 10.74 81.58 Favored Glycine 0 C--O 1.214 -1.133 0 N-CA-C 115.4 0.92 . . . . 21.77 115.4 -178.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.0 m -90.2 120.01 31.0 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.531 -1.285 . . . . 19.68 107.531 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -63.46 143.47 57.79 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 108.226 -1.028 . . . . 31.7 108.226 172.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -53.2 -41.58 65.44 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 112.267 0.469 . . . . 21.39 112.267 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -59.68 -28.0 66.89 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.634 0.605 . . . . 35.49 112.634 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -90.13 -5.4 56.53 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.428 1.269 . . . . 26.86 114.428 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -66.16 134.64 94.85 Favored Pre-proline 0 C--O 1.208 -1.096 0 N-CA-C 108.413 -0.958 . . . . 19.99 108.413 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.16 139.21 53.45 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 CA-C-N 119.211 0.754 . . . . 19.35 112.379 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -72.36 -1.82 16.93 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 114.925 1.454 . . . . 17.85 114.925 -170.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -99.54 1.41 43.83 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.762 0.653 . . . . 23.81 112.762 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -64.91 143.41 57.96 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 123.645 0.778 . . . . 22.11 110.442 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.58 158.29 34.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 CA-C-N 115.885 -0.598 . . . . 22.72 110.178 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -56.44 125.21 65.47 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 108.364 -0.976 . . . . 22.21 108.364 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -58.41 -24.22 67.62 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 C-N-CA 121.777 1.651 . . . . 26.84 113.8 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 11.7 mt -92.25 -51.88 4.95 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.322 0.86 . . . . 26.74 113.322 -177.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.1 p -109.59 -10.32 14.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.433 1.272 . . . . 25.36 114.433 -172.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.07 6.91 86.06 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 116.44 1.336 . . . . 26.03 116.44 171.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.23 162.74 3.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 118.698 1.249 . . . . 23.65 110.955 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.28 170.11 53.29 Favored Glycine 0 C--O 1.22 -0.766 0 CA-C-O 121.304 0.391 . . . . 22.27 113.978 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -55.15 -27.03 42.56 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.774 1.398 . . . . 21.78 114.774 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -67.1 -11.84 58.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.861 1.43 . . . . 34.67 114.861 -177.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -96.51 11.51 34.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.021 0.748 . . . . 23.02 113.021 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -100.55 155.92 17.58 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 109.845 -0.428 . . . . 20.54 109.845 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -142.57 146.47 34.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 25.43 109.886 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -54.37 134.87 45.57 Favored 'General case' 0 CA--C 1.488 -1.404 0 CA-C-N 115.759 -0.655 . . . . 36.5 109.807 173.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -81.91 118.97 30.58 Favored 'Isoleucine or valine' 0 C--O 1.251 1.149 0 N-CA-C 104.751 -2.315 . . . . 33.55 104.751 163.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 120.96 0.409 . . . . 42.48 110.455 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . 0.494 ' O ' ' CG2' ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.271 0.558 . . . . 34.380000000000003 111.416 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -92.88 146.67 23.46 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 115.627 -0.715 . . . . 37.619999999999997 110.461 -170.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -77.28 149.27 35.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.628 0.58 . . . . 33.240000000000002 110.939 168.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 51' ' ' GLU . 23.4 m-85 -126.74 142.47 51.53 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 109.608 -0.516 . . . . 22.16 109.608 176.34 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 t -115.89 143.28 45.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.779 -0.768 . . . . 23.5 111.49 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.6 t -75.26 116.95 16.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.203 -0.908 . . . . 18.66 108.796 172.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.9 p -79.26 -7.89 58.62 Favored 'General case' 0 C--O 1.249 1.053 0 C-N-CA 119.311 -0.956 . . . . 21.789999999999999 112.658 -173.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 t -85.19 -45.71 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 118.971 -0.538 . . . . 23.969999999999999 112.138 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . 0.414 ' SG ' HD13 ' A' ' 41' ' ' LEU . 9.0 p -121.51 -13.87 8.32 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 116.651 2.093 . . . . 25.48 116.651 -175.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.22 -4.15 64.65 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 116.489 1.355 . . . . 20.440000000000001 116.489 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -47.79 136.87 10.28 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 117.912 0.856 . . . . 25.859999999999999 109.971 171.406 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 146' ' ' HOH . 5.5 mm -109.48 121.34 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 N-CA-C 109.112 -0.699 . . . . 26.780000000000001 109.112 177.474 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -82.46 117.87 22.81 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 121.136 0.493 . . . . 19.190000000000001 110.001 169.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -108.63 114.4 58.9 Favored Pre-proline 0 CA--C 1.515 -0.392 0 N-CA-C 108.107 -1.071 . . . . 26.23 108.107 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.46 -27.74 82.74 Favored 'Trans proline' 0 C--N 1.323 -0.798 0 CA-C-O 118.038 -0.901 . . . . 21.98 112.898 -176.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.44 -34.51 74.08 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.522 1.304 . . . . 39.630000000000003 114.522 171.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -92.04 -26.01 18.54 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 113.983 1.105 . . . . 30.43 113.983 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.1 -156.3 19.92 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-O 122.996 1.331 . . . . 20.899999999999999 114.796 -166.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -140.29 68.54 33.19 Favored Pre-proline 0 N--CA 1.436 -1.129 0 N-CA-C 106.238 -1.764 . . . . 19.609999999999999 106.238 170.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -58.7 -31.97 95.94 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 N-CA-C 116.492 1.689 . . . . 21.0 116.492 -170.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.22 -24.43 67.23 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 123.619 0.575 . . . . 32.450000000000003 112.2 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -111.36 21.35 16.35 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 112.241 0.459 . . . . 28.649999999999999 112.241 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.87 14.57 72.3 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 117.522 1.769 . . . . 20.620000000000001 117.522 170.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -106.23 105.89 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 105.895 -1.891 . . . . 17.350000000000001 105.895 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -77.02 155.81 82.49 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 116.259 -0.428 . . . . 17.129999999999999 110.556 -171.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -52.68 144.45 42.79 Favored 'Trans proline' 0 CA--C 1.503 -1.042 0 C-N-CA 120.723 0.949 . . . . 19.02 111.328 172.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.4 10.74 81.58 Favored Glycine 0 C--O 1.214 -1.133 0 N-CA-C 115.4 0.92 . . . . 21.77 115.4 -178.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.0 m -90.2 120.01 31.0 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.531 -1.285 . . . . 19.68 107.531 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -63.46 143.47 57.79 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 108.226 -1.028 . . . . 31.699999999999999 108.226 172.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -53.2 -41.58 65.44 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 112.267 0.469 . . . . 21.390000000000001 112.267 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -59.68 -28.0 66.89 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.634 0.605 . . . . 35.490000000000002 112.634 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -90.13 -5.4 56.53 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.428 1.269 . . . . 26.859999999999999 114.428 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -66.16 134.64 94.85 Favored Pre-proline 0 C--O 1.208 -1.096 0 N-CA-C 108.413 -0.958 . . . . 19.989999999999998 108.413 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.16 139.21 53.45 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 CA-C-N 119.211 0.754 . . . . 19.350000000000001 112.379 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -72.36 -1.82 16.93 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 114.925 1.454 . . . . 17.850000000000001 114.925 -170.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -99.54 1.41 43.83 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.762 0.653 . . . . 23.809999999999999 112.762 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -64.91 143.41 57.96 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 123.645 0.778 . . . . 22.109999999999999 110.442 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.58 158.29 34.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 CA-C-N 115.885 -0.598 . . . . 22.719999999999999 110.178 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -56.44 125.21 65.47 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 108.364 -0.976 . . . . 22.210000000000001 108.364 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -58.41 -24.22 67.62 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 C-N-CA 121.777 1.651 . . . . 26.84 113.8 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . 0.414 HD13 ' SG ' ' A' ' 9' ' ' CYS . 11.7 mt -92.25 -51.88 4.95 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.322 0.86 . . . . 27.100000000000001 113.322 -177.186 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.1 p -109.59 -10.32 14.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.433 1.272 . . . . 25.359999999999999 114.433 -172.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.07 6.91 86.06 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 116.44 1.336 . . . . 26.030000000000001 116.44 171.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.23 162.74 3.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 118.698 1.249 . . . . 23.649999999999999 110.955 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.28 170.11 53.29 Favored Glycine 0 C--O 1.22 -0.766 0 CA-C-O 121.304 0.391 . . . . 22.27 113.978 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -55.15 -27.03 42.56 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.774 1.398 . . . . 21.780000000000001 114.774 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -67.1 -11.84 58.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.861 1.43 . . . . 34.670000000000002 114.861 -177.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -96.51 11.51 34.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.021 0.748 . . . . 23.02 113.021 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -100.55 155.92 17.58 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 109.845 -0.428 . . . . 20.539999999999999 109.845 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -142.57 146.47 34.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 25.43 109.886 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 4' ' ' TYR . 13.3 mt-10 -54.37 134.87 45.57 Favored 'General case' 0 CA--C 1.488 -1.404 0 CA-C-N 115.759 -0.655 . . . . 36.5 109.807 173.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -81.91 118.97 30.58 Favored 'Isoleucine or valine' 0 C--O 1.251 1.149 0 N-CA-C 104.751 -2.315 . . . . 33.549999999999997 104.751 163.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 120.96 0.409 . . . . 42.479999999999997 110.455 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . 0.643 ' O ' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.489 1.476 0 CA-C-O 121.271 0.558 . . . . 34.380000000000003 111.416 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.5 mmtm -92.88 146.67 23.46 Favored 'General case' 0 C--O 1.211 -0.924 0 CA-C-N 115.627 -0.715 . . . . 37.619999999999997 110.461 -170.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -77.28 149.27 35.4 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 123.628 0.58 . . . . 33.240000000000002 110.939 168.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.449 ' CZ ' ' HG3' ' A' ' 51' ' ' GLU . 23.4 m-85 -126.74 142.47 51.53 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 109.608 -0.516 . . . . 22.16 109.608 176.34 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.9 t -115.89 143.28 45.64 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 119.779 -0.768 . . . . 23.5 111.49 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 42.6 t -75.26 116.95 16.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.203 -0.908 . . . . 18.66 108.796 172.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.9 p -79.26 -7.89 58.62 Favored 'General case' 0 C--O 1.249 1.053 0 C-N-CA 119.311 -0.956 . . . . 21.789999999999999 112.658 -173.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 7.1 t -85.19 -45.71 17.35 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 CA-C-O 118.971 -0.538 . . . . 23.969999999999999 112.138 176.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.414 ' SG ' HD13 ' A' ' 41' ' ' LEU . 9.0 p -121.51 -13.87 8.32 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 116.651 2.093 . . . . 25.48 116.651 -175.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.22 -4.15 64.65 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 116.489 1.355 . . . . 20.440000000000001 116.489 176.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.7 t80 -47.79 136.87 10.28 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 117.912 0.856 . . . . 25.859999999999999 109.971 171.406 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.643 HG22 ' O ' ' A' ' 146' ' ' HOH . 5.5 mm -109.48 121.34 62.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 N-CA-C 109.112 -0.699 . . . . 26.780000000000001 109.112 177.474 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -82.46 117.87 22.81 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 121.136 0.493 . . . . 19.190000000000001 110.001 169.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 56.6 t-20 -108.63 114.4 58.9 Favored Pre-proline 0 CA--C 1.515 -0.392 0 N-CA-C 108.107 -1.071 . . . . 26.23 108.107 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.46 -27.74 82.74 Favored 'Trans proline' 0 C--N 1.323 -0.798 0 CA-C-O 118.038 -0.901 . . . . 21.98 112.898 -176.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -60.44 -34.51 74.08 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 114.522 1.304 . . . . 39.630000000000003 114.522 171.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.9 m-20 -92.04 -26.01 18.54 Favored 'General case' 0 C--O 1.245 0.817 0 N-CA-C 113.983 1.105 . . . . 30.43 113.983 -178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 58.1 -156.3 19.92 Favored Glycine 0 CA--C 1.523 0.581 0 CA-C-O 122.996 1.331 . . . . 20.899999999999999 114.796 -166.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.9 t0 -140.29 68.54 33.19 Favored Pre-proline 0 N--CA 1.436 -1.129 0 N-CA-C 106.238 -1.764 . . . . 19.609999999999999 106.238 170.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -58.7 -31.97 95.94 Favored 'Trans proline' 0 CA--C 1.528 0.188 0 N-CA-C 116.492 1.689 . . . . 21.0 116.492 -170.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.22 -24.43 67.23 Favored 'General case' 0 C--O 1.222 -0.354 0 O-C-N 123.619 0.575 . . . . 32.450000000000003 112.2 179.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 72.4 m-80 -111.36 21.35 16.35 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 112.241 0.459 . . . . 28.649999999999999 112.241 176.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.87 14.57 72.3 Favored Glycine 0 C--N 1.333 0.375 0 N-CA-C 117.522 1.769 . . . . 20.620000000000001 117.522 170.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.4 t -106.23 105.89 19.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 105.895 -1.891 . . . . 17.350000000000001 105.895 179.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 32.4 m-20 -77.02 155.81 82.49 Favored Pre-proline 0 C--N 1.319 -0.743 0 CA-C-N 116.259 -0.428 . . . . 17.129999999999999 110.556 -171.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_exo -52.68 144.45 42.79 Favored 'Trans proline' 0 CA--C 1.503 -1.042 0 C-N-CA 120.723 0.949 . . . . 19.02 111.328 172.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.4 10.74 81.58 Favored Glycine 0 C--O 1.214 -1.133 0 N-CA-C 115.4 0.92 . . . . 21.77 115.4 -178.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.0 m -90.2 120.01 31.0 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 107.531 -1.285 . . . . 19.68 107.531 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -63.46 143.47 57.79 Favored 'General case' 0 C--O 1.222 -0.347 0 N-CA-C 108.226 -1.028 . . . . 31.699999999999999 108.226 172.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -53.2 -41.58 65.44 Favored 'General case' 0 C--O 1.22 -0.469 0 N-CA-C 112.267 0.469 . . . . 21.390000000000001 112.267 -179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -59.68 -28.0 66.89 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.634 0.605 . . . . 35.490000000000002 112.634 -179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -90.13 -5.4 56.53 Favored 'General case' 0 C--O 1.218 -0.591 0 N-CA-C 114.428 1.269 . . . . 26.859999999999999 114.428 -177.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 55.4 mt -66.16 134.64 94.85 Favored Pre-proline 0 C--O 1.208 -1.096 0 N-CA-C 108.413 -0.958 . . . . 19.989999999999998 108.413 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -52.16 139.21 53.45 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 CA-C-N 119.211 0.754 . . . . 19.350000000000001 112.379 177.57 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -72.36 -1.82 16.93 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 114.925 1.454 . . . . 17.850000000000001 114.925 -170.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.6 p-10 -99.54 1.41 43.83 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.762 0.653 . . . . 23.809999999999999 112.762 175.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 90.6 t90 -64.91 143.41 57.96 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 123.645 0.778 . . . . 22.109999999999999 110.442 173.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -125.58 158.29 34.35 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.45 0 CA-C-N 115.885 -0.598 . . . . 22.719999999999999 110.178 178.672 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 t -56.44 125.21 65.47 Favored Pre-proline 0 C--N 1.33 -0.243 0 N-CA-C 108.364 -0.976 . . . . 22.210000000000001 108.364 178.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -58.41 -24.22 67.62 Favored 'Trans proline' 0 C--N 1.328 -0.514 0 C-N-CA 121.777 1.651 . . . . 26.84 113.8 179.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.414 HD13 ' SG ' ' A' ' 9' ' ' CYS . 11.7 mt -92.25 -51.88 4.95 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 113.322 0.86 . . . . 27.100000000000001 113.322 -177.186 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.1 p -109.59 -10.32 14.85 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 114.433 1.272 . . . . 25.359999999999999 114.433 -172.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 84.07 6.91 86.06 Favored Glycine 0 C--N 1.336 0.546 0 N-CA-C 116.44 1.336 . . . . 26.030000000000001 116.44 171.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 21.6 m -81.23 162.74 3.47 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.559 0 CA-C-N 118.698 1.249 . . . . 23.649999999999999 110.955 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.28 170.11 53.29 Favored Glycine 0 C--O 1.22 -0.766 0 CA-C-O 121.304 0.391 . . . . 22.27 113.978 -174.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 mtpt -55.15 -27.03 42.56 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 114.774 1.398 . . . . 21.780000000000001 114.774 178.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -67.1 -11.84 58.3 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 114.861 1.43 . . . . 34.670000000000002 114.861 -177.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 93.0 mm-40 -96.51 11.51 34.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 113.021 0.748 . . . . 23.02 113.021 174.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -100.55 155.92 17.58 Favored 'General case' 0 CA--C 1.505 -0.777 0 N-CA-C 109.845 -0.428 . . . . 20.539999999999999 109.845 177.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -142.57 146.47 34.64 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.113 0.482 . . . . 25.43 109.886 175.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HG3' ' CZ ' ' A' ' 4' ' ' TYR . 13.3 mt-10 -54.37 134.87 45.57 Favored 'General case' 0 CA--C 1.488 -1.404 0 CA-C-N 115.759 -0.655 . . . . 36.5 109.807 173.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 81.7 t -81.91 118.97 30.58 Favored 'Isoleucine or valine' 0 C--O 1.251 1.149 0 N-CA-C 104.751 -2.315 . . . . 33.549999999999997 104.751 163.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.239 0.532 0 CA-C-O 120.96 0.409 . . . . 42.479999999999997 110.455 175.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . 0.643 ' O ' HG22 ' A' ' 12' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_