data_6os8_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 6os8 _Structure_validation_residue.Date_analyzed 2020-04-24 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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.077 . . . . . . . . 33.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.72 -46.1 81.51 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.612 0.765 . . . . 41.54 112.556 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.19 -46.79 95.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.91 -0.586 . . . . 34.37 110.729 -169.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . 0.507 ' OE2' ' NZ ' ' B' ' 18' ' ' LYS . 15.6 tt0 -65.72 -38.38 89.01 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.543 -0.863 . . . . 48.0 111.392 178.592 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.3 -47.14 62.69 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.268 -0.573 . . . . 34.23 110.59 170.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.83 -45.58 85.55 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.438 -0.505 . . . . 33.85 111.17 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.53 -40.2 78.24 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.488 -0.485 . . . . 31.7 111.467 -177.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.36 -51.53 65.53 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.468 -0.493 . . . . 43.28 110.912 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -56.98 -43.78 82.02 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.692 -0.403 . . . . 45.55 111.161 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.45 -47.0 93.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 119.607 -0.837 . . . . 26.51 110.638 -177.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -60.8 -37.67 82.76 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.572 -0.851 . . . . 46.74 110.488 179.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -38.21 90.22 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.549 -0.296 . . . . 23.07 111.65 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -67.46 -35.42 79.17 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.856 -0.738 . . . . 24.7 110.646 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -64.4 -43.65 93.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 110.002 -0.37 . . . . 30.53 110.002 -176.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PFF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -64.37 -35.14 79.9 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 125.704 1.877 . . . . 22.82 110.317 -172.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.8 -37.48 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.683 -0.69 . . . . 22.88 110.235 -176.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -64.25 -38.76 92.18 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 119.927 -0.709 . . . . 29.73 110.75 174.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . 0.695 ' NZ ' ' OE1' ' B' ' 3' ' ' GLU . 22.8 mmmt -59.98 -42.87 95.1 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.149 -1.02 . . . . 35.44 111.621 172.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.04 -37.41 81.3 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.649 -0.82 . . . . 21.53 111.109 -178.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -60.92 -44.74 96.76 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.716 -0.794 . . . . 22.67 111.075 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -64.41 -42.18 96.22 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 111.728 0.27 . . . . 28.59 111.728 -179.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -65.57 -44.44 86.72 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.32 -0.952 . . . . 34.79 111.727 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -69.25 -35.25 66.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 122.031 -0.418 . . . . 22.43 110.265 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -62.52 -38.13 88.76 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 119.825 -0.75 . . . . 27.05 110.552 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.81 93.78 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.707 -0.797 . . . . 25.21 111.349 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.3 mt -64.97 -41.95 95.0 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 119.63 -0.828 . . . . 27.18 111.03 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 20.4 mt-10 -66.93 -33.77 76.31 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 112.453 0.538 . . . . 37.59 112.453 178.685 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -93.02 -3.96 53.44 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.352 0.501 . . . . 26.79 112.352 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.11 33.19 64.04 Favored Glycine 0 C--O 1.237 0.305 0 CA-C-O 119.519 -0.601 . . . . 33.82 114.598 -170.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -63.29 142.77 58.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.356 1.078 . . . . 35.41 110.949 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.829 1.048 . . . . 42.69 113.829 173.659 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.069 . . . . . . . . 33.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . 0.964 ' OE1' ' O ' ' B' ' 101' ' ' HOH . 9.8 pt-20 -69.56 -29.23 66.75 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.39 -0.819 . . . . 35.3 111.907 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 49.9 t -73.99 -43.34 52.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 120.344 -0.542 . . . . 31.83 110.142 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . 0.695 ' OE1' ' NZ ' ' A' ' 18' ' ' LYS . 2.8 tt0 -64.1 -38.16 90.04 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 122.132 -0.355 . . . . 46.69 111.444 175.334 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.78 -46.02 78.04 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.809 -0.756 . . . . 32.86 110.355 172.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 mt -64.2 -44.9 90.53 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.794 -0.362 . . . . 35.7 111.433 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.46 -36.91 79.37 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.745 -0.782 . . . . 29.61 111.718 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . 0.482 ' NZ ' ' O ' ' B' ' 104' ' ' HOH . 37.5 mttt -62.08 -48.49 79.96 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.886 0.374 . . . . 39.27 111.037 176.509 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -68.39 -37.29 80.23 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.644 -0.253 . . . . 39.15 111.122 -176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.33 -47.21 94.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 120.353 -0.539 . . . . 27.18 110.321 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.89 -35.71 81.39 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.51 -0.876 . . . . 42.08 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.21 87.99 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.487 -0.485 . . . . 26.44 110.987 172.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.3 mt -61.85 -41.73 98.18 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 122.252 -0.28 . . . . 29.53 111.587 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.01 -42.21 98.02 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.155 -0.618 . . . . 34.29 110.784 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' PFF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.8 -38.46 91.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.968 -1.015 . . . . 26.77 111.201 -177.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -70.71 -42.03 77.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 115.251 -0.886 . . . . 21.59 110.388 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -64.42 -38.76 92.14 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.311 -0.956 . . . . 36.61 110.441 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . 0.507 ' NZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.7 OUTLIER -65.79 -38.64 89.54 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.276 -0.969 . . . . 33.04 111.341 176.431 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 mt -64.24 -42.49 96.5 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.774 -0.77 . . . . 21.31 110.975 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -56.78 -42.86 80.2 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 111.963 0.357 . . . . 21.59 111.963 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.73 -44.28 86.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.368 -0.533 . . . . 37.69 111.8 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -65.22 -46.82 79.11 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.208 -0.597 . . . . 33.77 111.054 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.01 -38.49 80.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 120.752 0.311 . . . . 21.17 110.446 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.53 -40.32 96.38 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.268 -0.973 . . . . 28.11 110.507 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.96 91.04 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.543 -0.463 . . . . 24.31 111.18 175.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.35 -40.92 85.85 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.829 -0.348 . . . . 26.89 111.767 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.19 -40.71 94.58 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.913 -0.715 . . . . 44.78 111.342 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -88.75 -7.06 56.93 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 112.863 0.69 . . . . 27.85 112.863 -177.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.03 35.52 87.55 Favored Glycine 0 C--O 1.238 0.359 0 C-N-CA 120.339 -0.934 . . . . 29.9 113.806 -173.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 43.6 m0 -60.49 142.45 55.22 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.783 0.792 . . . . 32.92 110.185 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 114.579 1.325 . . . . 45.92 114.579 173.78 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.48 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 101' ' ' HOH . . . . . 0.964 ' O ' ' OE1' ' B' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . 0.482 ' O ' ' NZ ' ' B' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.077 . . . . . . . . 33.86 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.72 -46.1 81.51 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.612 0.765 . . . . 41.54 112.556 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.19 -46.79 95.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.91 -0.586 . . . . 34.37 110.729 -169.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' OE2' ' NZ ' ' B' ' 18' ' ' LYS . 15.6 tt0 -65.72 -38.38 89.01 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.543 -0.863 . . . . 48.0 111.392 178.592 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.3 -47.14 62.69 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.268 -0.573 . . . . 34.23 110.59 170.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.83 -45.58 85.55 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.438 -0.505 . . . . 33.85 111.17 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 96.9 mt-10 -57.53 -40.2 78.24 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.488 -0.485 . . . . 31.7 111.467 -177.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.36 -51.53 65.53 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.468 -0.493 . . . . 43.28 110.912 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -56.98 -43.78 82.02 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.692 -0.403 . . . . 45.55 111.161 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.45 -47.0 93.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 119.607 -0.837 . . . . 26.51 110.638 -177.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . 0.595 ' HG3' ' HD2' ' B' ' 14' ' ' PFF . 30.9 mm-40 -60.8 -37.67 82.76 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.572 -0.851 . . . . 46.74 110.488 179.092 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -38.21 90.22 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.549 -0.296 . . . . 23.07 111.65 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -67.46 -35.42 79.17 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.856 -0.738 . . . . 24.7 110.646 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -64.4 -43.65 93.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 110.002 -0.37 . . . . 30.53 110.002 -176.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PFF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -64.37 -35.14 79.9 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 125.704 1.877 . . . . 22.82 110.317 -172.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.8 -37.48 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.683 -0.69 . . . . 22.88 110.235 -176.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -64.25 -38.76 92.18 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 119.927 -0.709 . . . . 29.73 110.75 174.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . 0.63 ' NZ ' ' OE1' ' B' ' 3' ' ' GLU . 22.8 mmmt -59.98 -42.87 95.1 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.149 -1.02 . . . . 35.44 111.621 172.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.04 -37.41 81.3 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.649 -0.82 . . . . 21.53 111.109 -178.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -60.92 -44.74 96.76 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.716 -0.794 . . . . 22.67 111.075 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -64.41 -42.18 96.22 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 111.728 0.27 . . . . 28.59 111.728 -179.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -65.57 -44.44 86.72 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.32 -0.952 . . . . 34.79 111.727 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -69.25 -35.25 66.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 122.031 -0.418 . . . . 22.43 110.265 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -62.52 -38.13 88.76 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 119.825 -0.75 . . . . 27.05 110.552 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.81 93.78 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.707 -0.797 . . . . 25.21 111.349 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.3 mt -64.97 -41.95 95.0 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 119.63 -0.828 . . . . 27.18 111.03 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 20.4 mt-10 -66.93 -33.77 76.31 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 112.453 0.538 . . . . 37.59 112.453 178.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -93.02 -3.96 53.44 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.352 0.501 . . . . 26.79 112.352 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.11 33.19 64.04 Favored Glycine 0 C--O 1.237 0.305 0 CA-C-O 119.519 -0.601 . . . . 33.82 114.598 -170.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -63.29 142.77 58.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.356 1.078 . . . . 35.41 110.949 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.829 1.048 . . . . 42.69 113.829 173.659 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.069 . . . . . . . . 33.54 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . 0.964 ' OE1' ' O ' ' B' ' 101' ' ' HOH . 9.8 pt-20 -69.56 -29.23 66.75 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.39 -0.819 . . . . 35.3 111.907 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 49.9 t -73.99 -43.34 52.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 120.344 -0.542 . . . . 31.83 110.142 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . 0.63 ' OE1' ' NZ ' ' A' ' 18' ' ' LYS . 2.8 tt0 -64.1 -38.16 90.04 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 122.132 -0.355 . . . . 46.69 111.444 175.334 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.78 -46.02 78.04 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.809 -0.756 . . . . 32.86 110.355 172.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 mt -64.2 -44.9 90.53 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.794 -0.362 . . . . 35.7 111.433 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.46 -36.91 79.37 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.745 -0.782 . . . . 29.61 111.718 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -62.08 -48.49 79.96 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.886 0.374 . . . . 39.27 111.037 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -68.39 -37.29 80.23 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.644 -0.253 . . . . 39.15 111.122 -176.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.33 -47.21 94.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 120.353 -0.539 . . . . 27.18 110.321 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.89 -35.71 81.39 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.51 -0.876 . . . . 42.08 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.21 87.99 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.487 -0.485 . . . . 26.44 110.987 172.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.3 mt -61.85 -41.73 98.18 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 122.252 -0.28 . . . . 29.53 111.587 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.01 -42.21 98.02 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.155 -0.618 . . . . 34.29 110.784 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' PFF . . . . . 0.595 ' HD2' ' HG3' ' A' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.8 -38.46 91.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.968 -1.015 . . . . 26.77 111.201 -177.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -70.71 -42.03 77.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 115.251 -0.886 . . . . 21.59 110.388 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -64.42 -38.76 92.14 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.311 -0.956 . . . . 36.61 110.441 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . 0.468 ' NZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.7 OUTLIER -65.79 -38.64 89.54 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.276 -0.969 . . . . 33.04 111.341 176.431 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 mt -64.24 -42.49 96.5 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.774 -0.77 . . . . 21.31 110.975 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -56.78 -42.86 80.2 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 111.963 0.357 . . . . 21.59 111.963 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.73 -44.28 86.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.368 -0.533 . . . . 37.69 111.8 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -65.22 -46.82 79.11 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.208 -0.597 . . . . 33.77 111.054 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.01 -38.49 80.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 120.752 0.311 . . . . 21.17 110.446 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.53 -40.32 96.38 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.268 -0.973 . . . . 28.11 110.507 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.96 91.04 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.543 -0.463 . . . . 24.31 111.18 175.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.35 -40.92 85.85 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.829 -0.348 . . . . 26.89 111.767 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.19 -40.71 94.58 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.913 -0.715 . . . . 44.78 111.342 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -88.75 -7.06 56.93 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 112.863 0.69 . . . . 27.85 112.863 -177.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.03 35.52 87.55 Favored Glycine 0 C--O 1.238 0.359 0 C-N-CA 120.339 -0.934 . . . . 29.9 113.806 -173.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 43.6 m0 -60.49 142.45 55.22 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.783 0.792 . . . . 32.92 110.185 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 114.579 1.325 . . . . 45.92 114.579 173.78 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.48 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 101' ' ' HOH . . . . . 0.964 ' O ' ' OE1' ' B' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.077 . . . . . . . . 33.859999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -56.72 -46.1 81.51 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 123.612 0.765 . . . . 41.539999999999999 112.556 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 46.0 t -62.19 -46.79 95.63 Favored 'Isoleucine or valine' 0 C--O 1.234 0.249 0 CA-C-N 115.91 -0.586 . . . . 34.369999999999997 110.729 -169.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.468 ' OE2' ' NZ ' ' B' ' 18' ' ' LYS . 15.6 tt0 -65.72 -38.38 89.01 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 119.543 -0.863 . . . . 48.0 111.392 178.592 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.3 -47.14 62.69 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.268 -0.573 . . . . 34.229999999999997 110.59 170.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.83 -45.58 85.55 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 120.438 -0.505 . . . . 33.850000000000001 111.17 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 96.9 mt-10 -57.53 -40.2 78.24 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 120.488 -0.485 . . . . 31.699999999999999 111.467 -177.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 mtpm? -63.36 -51.53 65.53 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 120.468 -0.493 . . . . 43.280000000000001 110.912 177.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -56.98 -43.78 82.02 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.692 -0.403 . . . . 45.549999999999997 111.161 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.45 -47.0 93.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 C-N-CA 119.607 -0.837 . . . . 26.510000000000002 110.638 -177.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.595 ' HG3' ' HD2' ' B' ' 14' ' ' PFF . 30.9 mm-40 -60.8 -37.67 82.76 Favored 'General case' 0 C--O 1.235 0.298 0 C-N-CA 119.572 -0.851 . . . . 46.740000000000002 110.488 179.092 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.61 -38.21 90.22 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.549 -0.296 . . . . 23.07 111.65 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 28.3 mt -67.46 -35.42 79.17 Favored 'General case' 0 CA--C 1.516 -0.36 0 C-N-CA 119.856 -0.738 . . . . 24.699999999999999 110.646 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 85.7 mt-10 -64.4 -43.65 93.76 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 110.002 -0.37 . . . . 30.530000000000001 110.002 -176.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PFF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -64.37 -35.14 79.9 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 125.704 1.877 . . . . 22.82 110.317 -172.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.8 t -73.8 -37.48 48.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.683 -0.69 . . . . 22.879999999999999 110.235 -176.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -64.25 -38.76 92.18 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 119.927 -0.709 . . . . 29.73 110.75 174.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.63 ' NZ ' ' OE1' ' B' ' 3' ' ' GLU . 22.8 mmmt -59.98 -42.87 95.1 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 119.149 -1.02 . . . . 35.439999999999998 111.621 172.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 84.8 mt -68.04 -37.41 81.3 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 119.649 -0.82 . . . . 21.530000000000001 111.109 -178.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -60.92 -44.74 96.76 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 119.716 -0.794 . . . . 22.670000000000002 111.075 178.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -64.41 -42.18 96.22 Favored 'General case' 0 C--O 1.242 0.674 0 N-CA-C 111.728 0.27 . . . . 28.59 111.728 -179.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 47.7 mttm -65.57 -44.44 86.72 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.32 -0.952 . . . . 34.789999999999999 111.727 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 40.0 t -69.25 -35.25 66.94 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 O-C-N 122.031 -0.418 . . . . 22.43 110.265 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.8 mm-40 -62.52 -38.13 88.76 Favored 'General case' 0 CA--C 1.52 -0.207 0 C-N-CA 119.825 -0.75 . . . . 27.050000000000001 110.552 175.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.24 -43.81 93.78 Favored 'General case' 0 C--O 1.239 0.53 0 C-N-CA 119.707 -0.797 . . . . 25.210000000000001 111.349 175.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 54.3 mt -64.97 -41.95 95.0 Favored 'General case' 0 C--O 1.238 0.467 0 C-N-CA 119.63 -0.828 . . . . 27.18 111.03 -179.034 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.48 ' OE1' ' O ' ' A' ' 101' ' ' HOH . 20.4 mt-10 -66.93 -33.77 76.31 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 112.453 0.538 . . . . 37.590000000000003 112.453 178.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 79.2 m-70 -93.02 -3.96 53.44 Favored 'General case' 0 CA--C 1.517 -0.312 0 N-CA-C 112.352 0.501 . . . . 26.789999999999999 112.352 -176.782 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.11 33.19 64.04 Favored Glycine 0 C--O 1.237 0.305 0 CA-C-O 119.519 -0.601 . . . . 33.82 114.598 -170.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -63.29 142.77 58.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 118.356 1.078 . . . . 35.409999999999997 110.949 177.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.829 1.048 . . . . 42.689999999999998 113.829 173.659 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.069 . . . . . . . . 33.539999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . 0.964 ' OE1' ' O ' ' B' ' 101' ' ' HOH . 9.8 pt-20 -69.56 -29.23 66.75 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.39 -0.819 . . . . 35.299999999999997 111.907 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 49.9 t -73.99 -43.34 52.25 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 C-N-CA 120.344 -0.542 . . . . 31.829999999999998 110.142 177.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.63 ' OE1' ' NZ ' ' A' ' 18' ' ' LYS . 2.8 tt0 -64.1 -38.16 90.04 Favored 'General case' 0 C--O 1.235 0.337 0 O-C-N 122.132 -0.355 . . . . 46.689999999999998 111.444 175.334 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -55.78 -46.02 78.04 Favored 'General case' 0 C--O 1.238 0.473 0 C-N-CA 119.809 -0.756 . . . . 32.859999999999999 110.355 172.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 50.4 mt -64.2 -44.9 90.53 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 120.794 -0.362 . . . . 35.700000000000003 111.433 -179.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -60.46 -36.91 79.37 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.745 -0.782 . . . . 29.609999999999999 111.718 -178.089 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 37.5 mttt -62.08 -48.49 79.96 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 120.886 0.374 . . . . 39.270000000000003 111.037 176.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 mtpp -68.39 -37.29 80.23 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.644 -0.253 . . . . 39.149999999999999 111.122 -176.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 42.6 t -61.33 -47.21 94.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 C-N-CA 120.353 -0.539 . . . . 27.18 110.321 176.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.89 -35.71 81.39 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 119.51 -0.876 . . . . 42.079999999999998 111.007 -179.99 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.76 -46.21 87.99 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.487 -0.485 . . . . 26.440000000000001 110.987 172.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 48.3 mt -61.85 -41.73 98.18 Favored 'General case' 0 C--O 1.234 0.289 0 O-C-N 122.252 -0.28 . . . . 29.530000000000001 111.587 178.14 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.01 -42.21 98.02 Favored 'General case' 0 C--O 1.221 -0.419 0 C-N-CA 120.155 -0.618 . . . . 34.289999999999999 110.784 -177.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' PFF . . . . . 0.595 ' HD2' ' HG3' ' A' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -64.8 -38.46 91.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 114.968 -1.015 . . . . 26.77 111.201 -177.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' VAL . . . . . . . . . . . . . 32.8 t -70.71 -42.03 77.67 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-N 115.251 -0.886 . . . . 21.59 110.388 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -64.42 -38.76 92.14 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 119.311 -0.956 . . . . 36.609999999999999 110.441 178.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.468 ' NZ ' ' OE2' ' A' ' 3' ' ' GLU . 0.7 OUTLIER -65.79 -38.64 89.54 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.276 -0.969 . . . . 33.039999999999999 111.341 176.431 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 35.0 mt -64.24 -42.49 96.5 Favored 'General case' 0 C--O 1.24 0.58 0 C-N-CA 119.774 -0.77 . . . . 21.309999999999999 110.975 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -56.78 -42.86 80.2 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 111.963 0.357 . . . . 21.59 111.963 177.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -65.73 -44.28 86.45 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.368 -0.533 . . . . 37.689999999999998 111.8 -179.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 41.2 mttp -65.22 -46.82 79.11 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 120.208 -0.597 . . . . 33.770000000000003 111.054 179.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 47.6 t -62.01 -38.49 80.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 120.752 0.311 . . . . 21.170000000000002 110.446 -179.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -62.53 -40.32 96.38 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.268 -0.973 . . . . 28.109999999999999 110.507 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.88 -43.96 91.04 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.543 -0.463 . . . . 24.309999999999999 111.18 175.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 33.5 mt -67.35 -40.92 85.85 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 120.829 -0.348 . . . . 26.890000000000001 111.767 179.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -65.19 -40.71 94.58 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.913 -0.715 . . . . 44.780000000000001 111.342 178.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 77.3 m-70 -88.75 -7.06 56.93 Favored 'General case' 0 N--CA 1.452 -0.364 0 N-CA-C 112.863 0.69 . . . . 27.850000000000001 112.863 -177.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.03 35.52 87.55 Favored Glycine 0 C--O 1.238 0.359 0 C-N-CA 120.339 -0.934 . . . . 29.899999999999999 113.806 -173.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' TRP . . . . . . . . . . . . . 43.6 m0 -60.49 142.45 55.22 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.783 0.792 . . . . 32.920000000000002 110.185 174.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 114.579 1.325 . . . . 45.920000000000002 114.579 173.78 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.48 ' O ' ' OE1' ' A' ' 27' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' B' B ' 101' ' ' HOH . . . . . 0.964 ' O ' ' OE1' ' B' ' 1' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_