data_6dxr_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6dxr _Structure_validation_residue.Date_analyzed 2018-12-21 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 ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 113.293 0.849 . . . . 107.81 113.293 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -71.06 -49.13 48.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.873 0.368 . . . . 128.39 111.886 -179.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.15 -22.55 41.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.489 -0.778 . . . . 147.65 111.679 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.0 mt -83.75 -53.45 5.62 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.669 0.618 . . . . 132.01 112.669 -176.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -64.89 -28.4 69.52 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.931 1.086 . . . . 143.32 113.931 -174.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -90.0 -22.17 22.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.418 . . . . 129.53 110.969 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 12.6 mt -69.24 -30.15 68.22 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.412 -0.588 . . . . 82.47 109.412 168.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -63.02 -39.54 95.06 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.674 -0.411 . . . . 86.74 110.993 173.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -63.06 -29.92 71.19 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.146 0.498 . . . . 133.83 110.274 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -63.07 -45.26 92.98 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.344 1.058 . . . . 62.59 111.802 176.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.84 -46.34 92.49 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 110.164 -1.174 . . . . 35.39 110.164 173.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -64.05 -39.27 93.72 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.839 0.828 . . . . 62.11 112.455 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.3 m -61.82 -43.1 99.53 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 113.065 0.765 . . . . 32.15 113.065 174.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.13 -34.71 79.03 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 120.752 -0.379 . . . . 40.27 110.515 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -67.0 -42.45 84.99 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 121.123 0.487 . . . . 71.55 110.685 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.99 -38.28 75.95 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-O 121.533 0.683 . . . . 60.43 111.908 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -67.09 -35.23 79.34 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 119.545 -0.862 . . . . 45.42 111.292 178.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.06 62.64 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 116.191 -0.459 . . . . 21.96 111.075 174.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -58.06 -44.71 87.63 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.751 0.786 . . . . 113.85 112.547 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -60.0 -47.83 84.2 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 115.165 -0.925 . . . . 74.91 109.862 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 tp -54.13 -46.4 72.2 Favored 'General case' 0 C--O 1.205 -1.245 0 CA-C-N 115.743 -0.662 . . . . 31.86 111.235 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.67 -42.63 95.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.052 0.453 . . . . 29.05 110.95 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.4 t -57.29 -45.65 83.92 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.829 -0.804 . . . . 54.79 108.829 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -69.53 -34.57 74.45 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.578 1.325 . . . . 65.47 114.578 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.8 mt -64.15 -46.07 94.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 CA-C-O 121.484 0.659 . . . . 34.47 109.463 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -59.13 -43.74 92.02 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.072 1.138 . . . . 72.5 114.072 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -59.24 -43.15 92.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 112.672 0.619 . . . . 41.3 112.672 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 m -60.53 -39.81 89.23 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 120.892 -0.323 . . . . 35.26 110.895 173.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -64.65 -54.37 32.77 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.06 -0.518 . . . . 57.1 111.188 -177.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.1 tp -49.28 -46.93 47.03 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 123.585 0.754 . . . . 32.41 110.937 171.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -62.79 -47.13 84.81 Favored 'General case' 0 N--CA 1.439 -1.001 0 O-C-N 121.716 -0.615 . . . . 38.57 111.671 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.78 96.02 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 116.796 -0.184 . . . . 26.7 111.107 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -67.29 -40.35 86.09 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 119.488 -0.885 . . . . 62.9 111.191 -177.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 74.9 mtp -59.43 -43.5 93.06 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.304 0.853 . . . . 69.15 113.304 168.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . 0.554 ' NE ' ' O ' ' A' ' 202' ' ' HOH . 14.6 ttp85 -60.37 -44.42 95.62 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 119.701 -0.799 . . . . 59.24 112.761 177.093 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -63.08 -38.45 91.23 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.353 0.597 . . . . 57.86 111.804 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -72.42 -46.01 57.06 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.025 -0.732 . . . . 29.13 109.025 -171.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -61.09 -42.62 98.84 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-O 122.087 0.946 . . . . 22.59 110.413 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -65.1 -47.21 78.0 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.076 -0.965 . . . . 27.06 111.148 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.12 -46.86 88.86 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.263 0.554 . . . . 115.33 111.202 177.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 m -55.28 -51.5 66.48 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 113.797 1.036 . . . . 20.23 113.797 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -54.74 -42.95 72.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 112.264 0.468 . . . . 30.84 112.264 174.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.19 -49.18 78.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.582 0.956 . . . . 67.87 113.582 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -58.87 -39.03 80.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.101 0.476 . . . . 85.74 112.277 175.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.39 -43.65 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 121.078 0.466 . . . . 31.55 111.006 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -51.66 -56.01 16.12 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.272 -0.877 . . . . 68.07 111.251 172.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -56.24 -45.27 80.07 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 124.03 0.831 . . . . 95.89 112.863 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -66.32 -23.03 66.3 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.111 0.412 . . . . 58.18 112.111 177.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 mt -99.58 11.32 39.48 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.052 1.501 . . . . 85.7 115.052 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt 44.65 60.38 2.91 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.536 0.684 . . . . 82.54 112.378 -175.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--O 1.234 0.239 0 CA-C-N 115.494 -0.776 . . . . 80.8 108.964 -170.574 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.234 0.283 0 N-CA-C 113.214 0.429 . . . . 98.33 113.214 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -131.67 72.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.74 . . . . 110.39 110.798 -171.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 98.7 t -57.82 -38.72 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 N-CA-C 109.469 -0.567 . . . . 55.38 109.469 -178.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -65.91 -44.21 85.86 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.339 -0.544 . . . . 51.53 111.451 -177.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 14.9 m -67.16 -29.25 68.89 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 113.413 0.894 . . . . 52.91 113.413 178.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.88 -46.11 58.97 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 108.985 -0.746 . . . . 31.91 108.985 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.64 -41.84 98.19 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.205 0.446 . . . . 35.33 112.205 178.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.6 -33.79 76.38 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 120.972 -0.291 . . . . 34.72 110.486 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -64.54 -42.09 95.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.688 -0.405 . . . . 58.16 110.174 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.5 mt -70.15 -34.15 72.66 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 112.76 0.652 . . . . 24.45 112.76 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -63.87 -38.93 92.9 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.459 -0.941 . . . . 42.56 108.459 175.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.57 -48.44 77.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.253 -0.885 . . . . 39.42 111.609 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -56.39 -54.45 45.46 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.237 -1.347 . . . . 20.59 111.129 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.97 -46.58 49.85 Favored Glycine 0 N--CA 1.467 0.747 0 N-CA-C 112.142 -0.383 . . . . 21.51 112.142 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.6 -39.99 80.62 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.97 1.1 . . . . 45.64 113.97 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -64.94 -46.14 82.85 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.46 0.304 . . . . 27.52 111.277 175.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 tp -53.83 -49.35 68.59 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.474 -0.565 . . . . 27.05 109.474 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.18 -36.84 73.66 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.702 -0.799 . . . . 50.95 112.685 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . 0.583 ' OD1' ' N ' ' B' ' 21' ' ' LYS . 83.0 m-20 -81.09 -36.44 30.39 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 118.46 0.573 . . . . 34.3 110.635 -177.026 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . 0.583 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 42.1 mmtt -71.35 -28.63 64.2 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.005 0.743 . . . . 79.43 113.005 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.01 89.52 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 107.996 -1.113 . . . . 31.97 107.996 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ARG . . . . . 0.4 ' NH2' ' OD1' ' B' ' 20' ' ' ASP . 94.1 mtm-85 -65.08 -37.46 87.58 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.034 -0.358 . . . . 85.06 110.034 177.814 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -69.95 -34.63 73.67 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.635 0.606 . . . . 71.04 112.635 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 19.9 tp -56.64 -42.39 78.81 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.137 0.494 . . . . 61.49 110.354 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.03 -41.0 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.916 -0.584 . . . . 51.09 109.988 -177.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 52.1 p -69.35 -31.96 70.72 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.066 -0.654 . . . . 61.33 112.564 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -71.75 -38.97 70.33 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.254 -0.904 . . . . 95.39 110.679 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 21.0 mt -55.43 -43.94 73.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 112.601 0.593 . . . . 43.65 112.601 170.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . 0.454 ' NZ ' ' O ' ' A' ' 202' ' ' HOH . 23.3 mmtt -68.24 -34.99 77.23 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.818 0.342 . . . . 70.82 111.118 -178.833 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -60.24 -46.54 89.44 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.041 0.756 . . . . 56.06 113.041 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.3 p -68.63 -33.41 73.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.351 1.072 . . . . 64.89 110.964 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -57.6 -47.63 81.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.318 -0.855 . . . . 72.8 110.593 171.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.72 -44.96 95.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.108 0.48 . . . . 52.18 110.095 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -58.18 -53.16 61.46 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-O 121.258 0.552 . . . . 35.52 111.236 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.23 97.53 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.657 -0.701 . . . . 33.45 110.959 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -64.44 -33.96 77.08 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.192 0.812 . . . . 62.0 113.192 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 40.2 mmm -73.07 -34.39 66.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 122.094 -0.379 . . . . 39.71 111.023 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ARG . . . . . 0.708 ' NH2' ' O ' ' B' ' 102' ' ' HOH . 2.6 tpt180 -63.44 -43.07 98.46 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.77 -0.772 . . . . 85.73 110.57 175.031 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.47 -46.72 86.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.639 -0.71 . . . . 79.96 109.762 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -63.62 -44.36 94.14 Favored 'General case' 0 CA--C 1.561 1.398 0 N-CA-C 114.742 1.386 . . . . 34.03 114.742 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.76 -45.79 92.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 113.598 0.962 . . . . 31.23 113.598 176.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 89.1 p -63.21 -55.68 22.97 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.002 0.429 . . . . 57.93 111.649 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.66 -49.56 27.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.899 0.857 . . . . 103.22 111.857 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 99.7 m -71.08 -35.49 71.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.321 -0.854 . . . . 35.88 112.201 -174.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.35 -37.92 74.71 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 118.609 -1.236 . . . . 38.92 110.9 174.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -49.06 -51.28 32.24 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 110.221 -0.289 . . . . 99.7 110.221 172.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -57.77 -41.54 82.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.877 0.695 . . . . 78.72 112.877 179.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.65 -52.4 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 116.161 -0.472 . . . . 42.95 110.834 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -47.84 -54.55 12.15 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.201 0.938 . . . . 74.19 110.978 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -60.81 -44.88 96.3 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 123.827 0.705 . . . . 79.05 110.287 -173.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -63.29 -36.42 83.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.936 -0.575 . . . . 58.82 112.451 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -77.38 -45.0 27.37 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.139 -1.059 . . . . 46.71 108.139 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -54.98 -44.96 74.91 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.282 -0.872 . . . . 85.04 112.937 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 10.6 pt -76.64 6.47 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 119.668 -0.813 . . . . 83.47 111.831 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASP . . . . . 0.955 ' OD2' ' O ' ' B' ' 101' ' ' HOH . 25.1 m-20 -128.56 17.65 6.38 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.969 0.414 . . . . 97.83 110.904 173.963 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.234 0.269 0 C-N-CA 123.863 0.865 . . . . 139.49 110.45 -176.811 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . 0.554 ' O ' ' NE ' ' A' ' 39' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . 0.955 ' O ' ' OD2' ' B' ' 56' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . 0.708 ' O ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 113.293 0.849 . . . . 107.81 113.293 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -71.06 -49.13 48.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.873 0.368 . . . . 128.39 111.886 -179.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.15 -22.55 41.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.489 -0.778 . . . . 147.65 111.679 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.0 mt -83.75 -53.45 5.62 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.669 0.618 . . . . 132.01 112.669 -176.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . 0.593 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 81.8 m-20 -64.89 -28.4 69.52 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.931 1.086 . . . . 143.32 113.931 -174.072 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -90.0 -22.17 22.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.418 . . . . 129.53 110.969 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . 0.718 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 12.6 mt -69.24 -30.15 68.22 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.412 -0.588 . . . . 82.47 109.412 168.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . 0.593 ' HE2' ' HA ' ' A' ' 9' ' ' ASP . 48.3 mtmt -63.02 -39.54 95.06 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.674 -0.411 . . . . 86.74 110.993 173.858 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -63.06 -29.92 71.19 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.146 0.498 . . . . 133.83 110.274 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . 0.718 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 36.2 t80 -63.07 -45.26 92.98 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.344 1.058 . . . . 62.59 111.802 176.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.84 -46.34 92.49 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 110.164 -1.174 . . . . 35.39 110.164 173.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -64.05 -39.27 93.72 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.839 0.828 . . . . 62.11 112.455 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.3 m -61.82 -43.1 99.53 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 113.065 0.765 . . . . 32.15 113.065 174.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.13 -34.71 79.03 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 120.752 -0.379 . . . . 40.27 110.515 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -67.0 -42.45 84.99 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 121.123 0.487 . . . . 71.55 110.685 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.99 -38.28 75.95 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-O 121.533 0.683 . . . . 60.43 111.908 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -67.09 -35.23 79.34 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 119.545 -0.862 . . . . 45.42 111.292 178.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.06 62.64 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 116.191 -0.459 . . . . 21.96 111.075 174.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -58.06 -44.71 87.63 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.751 0.786 . . . . 113.85 112.547 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . 0.639 ' HG2' ' H11' ' A' ' 101' ' ' MPD . 2.3 tp10 -60.0 -47.83 84.2 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 115.165 -0.925 . . . . 74.91 109.862 -178.699 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 tp -54.13 -46.4 72.2 Favored 'General case' 0 C--O 1.205 -1.245 0 CA-C-N 115.743 -0.662 . . . . 31.86 111.235 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.67 -42.63 95.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.052 0.453 . . . . 29.05 110.95 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.4 t -57.29 -45.65 83.92 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.829 -0.804 . . . . 54.79 108.829 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -69.53 -34.57 74.45 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.578 1.325 . . . . 65.47 114.578 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.8 mt -64.15 -46.07 94.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 CA-C-O 121.484 0.659 . . . . 34.47 109.463 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -59.13 -43.74 92.02 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.072 1.138 . . . . 72.5 114.072 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -59.24 -43.15 92.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 112.672 0.619 . . . . 41.3 112.672 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 m -60.53 -39.81 89.23 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 120.892 -0.323 . . . . 35.26 110.895 173.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -64.65 -54.37 32.77 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.06 -0.518 . . . . 57.1 111.188 -177.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.1 tp -49.28 -46.93 47.03 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 123.585 0.754 . . . . 32.41 110.937 171.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -62.79 -47.13 84.81 Favored 'General case' 0 N--CA 1.439 -1.001 0 O-C-N 121.716 -0.615 . . . . 38.57 111.671 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.78 96.02 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 116.796 -0.184 . . . . 26.7 111.107 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -67.29 -40.35 86.09 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 119.488 -0.885 . . . . 62.9 111.191 -177.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 74.9 mtp -59.43 -43.5 93.06 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.304 0.853 . . . . 69.15 113.304 168.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' NE ' ' O ' ' A' ' 202' ' ' HOH . 14.6 ttp85 -60.37 -44.42 95.62 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 119.701 -0.799 . . . . 59.24 112.761 177.093 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -63.08 -38.45 91.23 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.353 0.597 . . . . 57.86 111.804 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -72.42 -46.01 57.06 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.025 -0.732 . . . . 29.13 109.025 -171.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -61.09 -42.62 98.84 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-O 122.087 0.946 . . . . 22.59 110.413 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -65.1 -47.21 78.0 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.076 -0.965 . . . . 27.06 111.148 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.12 -46.86 88.86 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.263 0.554 . . . . 115.33 111.202 177.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 m -55.28 -51.5 66.48 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 113.797 1.036 . . . . 20.23 113.797 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -54.74 -42.95 72.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 112.264 0.468 . . . . 30.84 112.264 174.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.19 -49.18 78.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.582 0.956 . . . . 67.87 113.582 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -58.87 -39.03 80.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.101 0.476 . . . . 85.74 112.277 175.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.39 -43.65 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 121.078 0.466 . . . . 31.55 111.006 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -51.66 -56.01 16.12 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.272 -0.877 . . . . 68.07 111.251 172.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -56.24 -45.27 80.07 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 124.03 0.831 . . . . 95.89 112.863 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -66.32 -23.03 66.3 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.111 0.412 . . . . 58.18 112.111 177.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 mt -99.58 11.32 39.48 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.052 1.501 . . . . 85.7 115.052 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt 44.65 60.38 2.91 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.536 0.684 . . . . 82.54 112.378 -175.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--O 1.234 0.239 0 CA-C-N 115.494 -0.776 . . . . 80.8 108.964 -170.574 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.234 0.283 0 N-CA-C 113.214 0.429 . . . . 98.33 113.214 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' B' ' 6' ' ' SER . 5.0 m-20 -131.67 72.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.74 . . . . 110.39 110.798 -171.298 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 98.7 t -57.82 -38.72 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 N-CA-C 109.469 -0.567 . . . . 55.38 109.469 -178.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -65.91 -44.21 85.86 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.339 -0.544 . . . . 51.53 111.451 -177.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . 0.441 ' HB2' ' HB3' ' B' ' 3' ' ' ASP . 14.9 m -67.16 -29.25 68.89 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 113.413 0.894 . . . . 52.91 113.413 178.516 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.88 -46.11 58.97 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 108.985 -0.746 . . . . 31.91 108.985 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.64 -41.84 98.19 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.205 0.446 . . . . 35.33 112.205 178.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.6 -33.79 76.38 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 120.972 -0.291 . . . . 34.72 110.486 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -64.54 -42.09 95.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.688 -0.405 . . . . 58.16 110.174 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.5 mt -70.15 -34.15 72.66 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 112.76 0.652 . . . . 24.45 112.76 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -63.87 -38.93 92.9 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.459 -0.941 . . . . 42.56 108.459 175.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.57 -48.44 77.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.253 -0.885 . . . . 39.42 111.609 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -56.39 -54.45 45.46 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.237 -1.347 . . . . 20.59 111.129 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.97 -46.58 49.85 Favored Glycine 0 N--CA 1.467 0.747 0 N-CA-C 112.142 -0.383 . . . . 21.51 112.142 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -68.6 -39.99 80.62 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.97 1.1 . . . . 45.64 113.97 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -64.94 -46.14 82.85 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.46 0.304 . . . . 27.52 111.277 175.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 tp -53.83 -49.35 68.59 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.474 -0.565 . . . . 27.05 109.474 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.18 -36.84 73.66 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.702 -0.799 . . . . 50.95 112.685 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . 0.583 ' OD1' ' N ' ' B' ' 21' ' ' LYS . 83.0 m-20 -81.09 -36.44 30.39 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 118.46 0.573 . . . . 35.48 110.635 -177.026 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . 0.583 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 42.1 mmtt -71.35 -28.63 64.2 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.005 0.743 . . . . 79.43 113.005 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.01 89.52 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 107.996 -1.113 . . . . 31.97 107.996 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ARG . . . . . 0.4 ' NH2' ' OD1' ' B' ' 20' ' ' ASP . 94.1 mtm-85 -65.08 -37.46 87.58 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.034 -0.358 . . . . 85.06 110.034 177.814 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -69.95 -34.63 73.67 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.635 0.606 . . . . 71.04 112.635 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 19.9 tp -56.64 -42.39 78.81 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.137 0.494 . . . . 61.49 110.354 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.03 -41.0 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.916 -0.584 . . . . 51.09 109.988 -177.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 52.1 p -69.35 -31.96 70.72 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.066 -0.654 . . . . 61.33 112.564 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -71.75 -38.97 70.33 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.254 -0.904 . . . . 95.39 110.679 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 21.0 mt -55.43 -43.94 73.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 112.601 0.593 . . . . 43.65 112.601 170.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -68.24 -34.99 77.23 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.818 0.342 . . . . 70.82 111.118 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -60.24 -46.54 89.44 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.041 0.756 . . . . 56.06 113.041 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.3 p -68.63 -33.41 73.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.351 1.072 . . . . 64.89 110.964 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -57.6 -47.63 81.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.318 -0.855 . . . . 72.8 110.593 171.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.72 -44.96 95.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.108 0.48 . . . . 52.18 110.095 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -58.18 -53.16 61.46 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-O 121.258 0.552 . . . . 35.52 111.236 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.23 97.53 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.657 -0.701 . . . . 33.45 110.959 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -64.44 -33.96 77.08 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.192 0.812 . . . . 62.0 113.192 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 40.2 mmm -73.07 -34.39 66.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 122.094 -0.379 . . . . 39.71 111.023 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ARG . . . . . 0.708 ' NH2' ' O ' ' B' ' 102' ' ' HOH . 2.6 tpt180 -63.44 -43.07 98.46 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.77 -0.772 . . . . 85.73 110.57 175.031 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.47 -46.72 86.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.639 -0.71 . . . . 79.96 109.762 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -63.62 -44.36 94.14 Favored 'General case' 0 CA--C 1.561 1.398 0 N-CA-C 114.742 1.386 . . . . 34.03 114.742 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.76 -45.79 92.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 113.598 0.962 . . . . 31.23 113.598 176.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 89.1 p -63.21 -55.68 22.97 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.002 0.429 . . . . 57.93 111.649 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.66 -49.56 27.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.899 0.857 . . . . 103.22 111.857 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 99.7 m -71.08 -35.49 71.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.321 -0.854 . . . . 35.88 112.201 -174.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.35 -37.92 74.71 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 118.609 -1.236 . . . . 38.92 110.9 174.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -49.06 -51.28 32.24 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 110.221 -0.289 . . . . 99.7 110.221 172.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -57.77 -41.54 82.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.877 0.695 . . . . 78.72 112.877 179.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.65 -52.4 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 116.161 -0.472 . . . . 42.95 110.834 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -47.84 -54.55 12.15 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.201 0.938 . . . . 74.19 110.978 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -60.81 -44.88 96.3 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 123.827 0.705 . . . . 79.05 110.287 -173.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -63.29 -36.42 83.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.936 -0.575 . . . . 58.82 112.451 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -77.38 -45.0 27.37 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.139 -1.059 . . . . 46.71 108.139 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -54.98 -44.96 74.91 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.282 -0.872 . . . . 85.04 112.937 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 10.6 pt -76.64 6.47 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 119.668 -0.813 . . . . 83.47 111.831 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASP . . . . . 0.955 ' OD2' ' O ' ' B' ' 101' ' ' HOH . 25.1 m-20 -128.56 17.65 6.38 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.969 0.414 . . . . 97.83 110.904 173.963 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.234 0.269 0 C-N-CA 123.863 0.865 . . . . 139.49 110.45 -176.811 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MPD . . . . . 0.639 ' H11' ' HG2' ' A' ' 24' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . 0.476 ' O ' ' NE ' ' A' ' 39' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . 0.955 ' O ' ' OD2' ' B' ' 56' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . 0.708 ' O ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.495 1.815 0 N-CA-C 113.293 0.849 . . . . 107.81 113.293 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -71.06 -49.13 48.08 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 120.873 0.368 . . . . 128.39 111.886 -179.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.15 -22.55 41.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.489 -0.778 . . . . 147.65 111.679 -177.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 17.0 mt -83.75 -53.45 5.62 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 112.669 0.618 . . . . 132.01 112.669 -176.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.593 ' HA ' ' HE2' ' A' ' 12' ' ' LYS . 81.8 m-20 -64.89 -28.4 69.52 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 113.931 1.086 . . . . 143.32 113.931 -174.072 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.9 mttt -90.0 -22.17 22.04 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.279 -0.418 . . . . 129.53 110.969 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.718 ' O ' ' HB3' ' A' ' 14' ' ' PHE . 12.6 mt -69.24 -30.15 68.22 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.412 -0.588 . . . . 82.47 109.412 168.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.593 ' HE2' ' HA ' ' A' ' 9' ' ' ASP . 48.3 mtmt -63.02 -39.54 95.06 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 120.674 -0.411 . . . . 86.74 110.993 173.858 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 78.7 mt-10 -63.06 -29.92 71.19 Favored 'General case' 0 C--O 1.223 -0.299 0 CA-C-O 121.146 0.498 . . . . 133.83 110.274 176.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.718 ' HB3' ' O ' ' A' ' 11' ' ' LEU . 36.2 t80 -63.07 -45.26 92.98 Favored 'General case' 0 C--O 1.242 0.692 0 C-N-CA 124.344 1.058 . . . . 62.59 111.802 176.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -57.84 -46.34 92.49 Favored Glycine 0 N--CA 1.441 -1.011 0 N-CA-C 110.164 -1.174 . . . . 35.39 110.164 173.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -64.05 -39.27 93.72 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-O 121.839 0.828 . . . . 62.11 112.455 -178.474 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 72.3 m -61.82 -43.1 99.53 Favored 'General case' 0 N--CA 1.434 -1.246 0 N-CA-C 113.065 0.765 . . . . 32.15 113.065 174.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.13 -34.71 79.03 Favored 'General case' 0 C--O 1.209 -1.036 0 C-N-CA 120.752 -0.379 . . . . 40.27 110.515 177.97 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -67.0 -42.45 84.99 Favored 'General case' 0 N--CA 1.433 -1.279 0 CA-C-O 121.123 0.487 . . . . 71.55 110.685 -178.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.99 -38.28 75.95 Favored 'General case' 0 C--O 1.248 0.984 0 CA-C-O 121.533 0.683 . . . . 60.43 111.908 -179.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.6 mttt -67.09 -35.23 79.34 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 119.545 -0.862 . . . . 45.42 111.292 178.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.06 62.64 Favored 'General case' 0 N--CA 1.432 -1.344 0 CA-C-N 116.191 -0.459 . . . . 21.96 111.075 174.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 64.1 mtt180 -58.06 -44.71 87.63 Favored 'General case' 0 N--CA 1.444 -0.74 0 CA-C-O 121.751 0.786 . . . . 113.85 112.547 178.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.639 ' HG2' ' H11' ' A' ' 101' ' ' MPD . 2.3 tp10 -60.0 -47.83 84.2 Favored 'General case' 0 N--CA 1.426 -1.64 0 CA-C-N 115.165 -0.925 . . . . 74.91 109.862 -178.699 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 23.8 tp -54.13 -46.4 72.2 Favored 'General case' 0 C--O 1.205 -1.245 0 CA-C-N 115.743 -0.662 . . . . 31.86 111.235 177.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.2 mt -64.67 -42.63 95.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.052 0.453 . . . . 29.05 110.95 -177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 30.4 t -57.29 -45.65 83.92 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 108.829 -0.804 . . . . 54.79 108.829 176.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 25.5 mtt-85 -69.53 -34.57 74.45 Favored 'General case' 0 C--N 1.314 -0.966 0 N-CA-C 114.578 1.325 . . . . 65.47 114.578 -179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.8 mt -64.15 -46.07 94.61 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.9 0 CA-C-O 121.484 0.659 . . . . 34.47 109.463 176.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -59.13 -43.74 92.02 Favored 'General case' 0 CA--C 1.552 1.054 0 N-CA-C 114.072 1.138 . . . . 72.5 114.072 178.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -59.24 -43.15 92.41 Favored 'General case' 0 N--CA 1.442 -0.861 0 N-CA-C 112.672 0.619 . . . . 41.3 112.672 173.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 m -60.53 -39.81 89.23 Favored 'General case' 0 C--O 1.206 -1.214 0 C-N-CA 120.892 -0.323 . . . . 35.26 110.895 173.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -64.65 -54.37 32.77 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-N 116.06 -0.518 . . . . 57.1 111.188 -177.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 67.1 tp -49.28 -46.93 47.03 Favored 'General case' 0 N--CA 1.431 -1.401 0 C-N-CA 123.585 0.754 . . . . 32.41 110.937 171.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -62.79 -47.13 84.81 Favored 'General case' 0 N--CA 1.439 -1.001 0 O-C-N 121.716 -0.615 . . . . 38.57 111.671 -176.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.36 -42.78 96.02 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-N 116.796 -0.184 . . . . 26.7 111.107 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.8 mtmp? -67.29 -40.35 86.09 Favored 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 119.488 -0.885 . . . . 62.9 111.191 -177.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 74.9 mtp -59.43 -43.5 93.06 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 113.304 0.853 . . . . 69.15 113.304 168.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' NE ' ' O ' ' A' ' 202' ' ' HOH . 14.6 ttp85 -60.37 -44.42 95.62 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 119.701 -0.799 . . . . 59.24 112.761 177.093 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -63.08 -38.45 91.23 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-O 121.353 0.597 . . . . 57.86 111.804 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 20.3 t90 -72.42 -46.01 57.06 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 109.025 -0.732 . . . . 29.13 109.025 -171.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -61.09 -42.62 98.84 Favored 'General case' 0 N--CA 1.424 -1.746 0 CA-C-O 122.087 0.946 . . . . 22.59 110.413 178.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -65.1 -47.21 78.0 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.076 -0.965 . . . . 27.06 111.148 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -61.12 -46.86 88.86 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-O 121.263 0.554 . . . . 115.33 111.202 177.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.8 m -55.28 -51.5 66.48 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 113.797 1.036 . . . . 20.23 113.797 176.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -54.74 -42.95 72.21 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 112.264 0.468 . . . . 30.84 112.264 174.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -60.19 -49.18 78.64 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.582 0.956 . . . . 67.87 113.582 -179.594 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -58.87 -39.03 80.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.101 0.476 . . . . 85.74 112.277 175.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.3 t -65.39 -43.65 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-O 121.078 0.466 . . . . 31.55 111.006 178.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -51.66 -56.01 16.12 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-N 115.272 -0.877 . . . . 68.07 111.251 172.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -56.24 -45.27 80.07 Favored 'General case' 0 C--O 1.224 -0.286 0 O-C-N 124.03 0.831 . . . . 95.89 112.863 -178.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -66.32 -23.03 66.3 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.111 0.412 . . . . 58.18 112.111 177.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 18.2 mt -99.58 11.32 39.48 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 115.052 1.501 . . . . 85.7 115.052 -178.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt 44.65 60.38 2.91 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-O 121.536 0.684 . . . . 82.54 112.378 -175.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.0 mt . . . . . 0 C--O 1.234 0.239 0 CA-C-N 115.494 -0.776 . . . . 80.8 108.964 -170.574 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo . . . . . 0 C--O 1.234 0.283 0 N-CA-C 113.214 0.429 . . . . 98.33 113.214 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASP . . . . . 0.441 ' HB3' ' HB2' ' B' ' 6' ' ' SER . 5.0 m-20 -131.67 72.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.573 -0.74 . . . . 110.39 110.798 -171.298 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 98.7 t -57.82 -38.72 67.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 N-CA-C 109.469 -0.567 . . . . 55.38 109.469 -178.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.8 t -65.91 -44.21 85.86 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.339 -0.544 . . . . 51.53 111.451 -177.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . 0.441 ' HB2' ' HB3' ' B' ' 3' ' ' ASP . 14.9 m -67.16 -29.25 68.89 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 113.413 0.894 . . . . 52.91 113.413 178.516 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.88 -46.11 58.97 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 108.985 -0.746 . . . . 31.91 108.985 -178.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.64 -41.84 98.19 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.205 0.446 . . . . 35.33 112.205 178.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -63.6 -33.79 76.38 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 120.972 -0.291 . . . . 34.72 110.486 178.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 15.2 tptt -64.54 -42.09 95.94 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 120.688 -0.405 . . . . 58.16 110.174 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 54.5 mt -70.15 -34.15 72.66 Favored 'General case' 0 CA--C 1.508 -0.637 0 N-CA-C 112.76 0.652 . . . . 24.45 112.76 -178.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 31.3 mttt -63.87 -38.93 92.9 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.459 -0.941 . . . . 42.56 108.459 175.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.57 -48.44 77.41 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.253 -0.885 . . . . 39.42 111.609 -179.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -56.39 -54.45 45.46 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 114.237 -1.347 . . . . 20.59 111.129 173.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -50.97 -46.58 49.85 Favored Glycine 0 N--CA 1.467 0.747 0 N-CA-C 112.142 -0.383 . . . . 21.51 112.142 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -68.6 -39.99 80.62 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.97 1.1 . . . . 45.64 113.97 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' THR . . . . . . . . . . . . . 17.2 m -64.94 -46.14 82.85 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.46 0.304 . . . . 27.52 111.277 175.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 61.3 tp -53.83 -49.35 68.59 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 109.474 -0.565 . . . . 27.05 109.474 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.18 -36.84 73.66 Favored 'General case' 0 C--N 1.319 -0.756 0 C-N-CA 119.702 -0.799 . . . . 50.95 112.685 178.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . 0.583 ' OD1' ' N ' ' B' ' 21' ' ' LYS . 83.0 m-20 -81.09 -36.44 30.39 Favored 'General case' 0 C--O 1.213 -0.852 0 CA-C-N 118.46 0.573 . . . . 35.48 110.635 -177.026 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.583 ' N ' ' OD1' ' B' ' 20' ' ' ASP . 42.1 mmtt -71.35 -28.63 64.2 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 113.005 0.743 . . . . 79.43 113.005 178.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.62 -38.01 89.52 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 107.996 -1.113 . . . . 31.97 107.996 177.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ARG . . . . . 0.4 ' NH2' ' OD1' ' B' ' 20' ' ' ASP . 94.1 mtm-85 -65.08 -37.46 87.58 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 110.034 -0.358 . . . . 85.06 110.034 177.814 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -69.95 -34.63 73.67 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.635 0.606 . . . . 71.04 112.635 179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 19.9 tp -56.64 -42.39 78.81 Favored 'General case' 0 C--O 1.223 -0.319 0 CA-C-O 121.137 0.494 . . . . 61.49 110.354 173.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.03 -41.0 84.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 CA-C-N 115.916 -0.584 . . . . 51.09 109.988 -177.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . . 52.1 p -69.35 -31.96 70.72 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 120.066 -0.654 . . . . 61.33 112.564 179.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 mmt180 -71.75 -38.97 70.33 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.254 -0.904 . . . . 95.39 110.679 177.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 21.0 mt -55.43 -43.94 73.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.594 0 N-CA-C 112.601 0.593 . . . . 43.65 112.601 170.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -68.24 -34.99 77.23 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 120.818 0.342 . . . . 70.82 111.118 -178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 58.3 mt-30 -60.24 -46.54 89.44 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.041 0.756 . . . . 56.06 113.041 171.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' SER . . . . . . . . . . . . . 30.3 p -68.63 -33.41 73.96 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.351 1.072 . . . . 64.89 110.964 177.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -57.6 -47.63 81.63 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.318 -0.855 . . . . 72.8 110.593 171.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 48.5 tp -61.72 -44.96 95.9 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.108 0.48 . . . . 52.18 110.095 176.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 8.2 t -58.18 -53.16 61.46 Favored 'General case' 0 N--CA 1.425 -1.686 0 CA-C-O 121.258 0.552 . . . . 35.52 111.236 177.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.37 -44.23 97.53 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 115.657 -0.701 . . . . 33.45 110.959 -176.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -64.44 -33.96 77.08 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 113.192 0.812 . . . . 62.0 113.192 179.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' MET . . . . . . . . . . . . . 40.2 mmm -73.07 -34.39 66.21 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 122.094 -0.379 . . . . 39.71 111.023 178.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ARG . . . . . 0.708 ' NH2' ' O ' ' B' ' 102' ' ' HOH . 2.6 tpt180 -63.44 -43.07 98.46 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.77 -0.772 . . . . 85.73 110.57 175.031 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -58.47 -46.72 86.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.639 -0.71 . . . . 79.96 109.762 176.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -63.62 -44.36 94.14 Favored 'General case' 0 CA--C 1.561 1.398 0 N-CA-C 114.742 1.386 . . . . 34.03 114.742 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -60.76 -45.79 92.96 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 113.598 0.962 . . . . 31.23 113.598 176.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 89.1 p -63.21 -55.68 22.97 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.002 0.429 . . . . 57.93 111.649 177.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -47.66 -49.56 27.18 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.899 0.857 . . . . 103.22 111.857 178.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 99.7 m -71.08 -35.49 71.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.321 -0.854 . . . . 35.88 112.201 -174.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -70.35 -37.92 74.71 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 118.609 -1.236 . . . . 38.92 110.9 174.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -49.06 -51.28 32.24 Favored 'General case' 0 N--CA 1.445 -0.687 0 N-CA-C 110.221 -0.289 . . . . 99.7 110.221 172.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 34.0 mmtm -57.77 -41.54 82.2 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.877 0.695 . . . . 78.72 112.877 179.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.65 -52.4 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.468 0 CA-C-N 116.161 -0.472 . . . . 42.95 110.834 -178.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' LYS . . . . . . . . . . . . . 50.6 mtpt -47.84 -54.55 12.15 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.201 0.938 . . . . 74.19 110.978 175.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -60.81 -44.88 96.3 Favored 'General case' 0 CA--C 1.506 -0.727 0 O-C-N 123.827 0.705 . . . . 79.05 110.287 -173.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 39.7 tptt -63.29 -36.42 83.61 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.936 -0.575 . . . . 58.82 112.451 -177.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 47.0 mt -77.38 -45.0 27.37 Favored 'General case' 0 CA--C 1.508 -0.672 0 N-CA-C 108.139 -1.059 . . . . 46.71 108.139 -178.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 65.3 mttt -54.98 -44.96 74.91 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.282 -0.872 . . . . 85.04 112.937 179.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 10.6 pt -76.64 6.47 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 C-N-CA 119.668 -0.813 . . . . 83.47 111.831 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.955 ' OD2' ' O ' ' B' ' 101' ' ' HOH . 25.1 m-20 -128.56 17.65 6.38 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 120.969 0.414 . . . . 97.83 110.904 173.963 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 C--O 1.234 0.269 0 C-N-CA 123.863 0.865 . . . . 139.49 110.45 -176.811 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MPD . . . . . 0.639 ' H11' ' HG2' ' A' ' 24' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' MPD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . 0.476 ' O ' ' NE ' ' A' ' 39' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . 0.955 ' O ' ' OD2' ' B' ' 56' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . 0.708 ' O ' ' NH2' ' B' ' 39' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_