data_3ljm_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 3ljm _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.542 . . . . . . . . 25.420000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.15 -49.03 79.23 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 130.466 3.507 . . . . 41.369999999999997 108.741 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' TRP . . . . . 1.125 ' CE3' ' CH2' ' B' ' 2' ' ' TRP . 60.6 t-105 -68.78 -46.43 68.73 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 122.355 1.074 . . . . 31.16 111.636 -176.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -58.64 -41.37 85.84 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 115.29 -0.868 . . . . 28.030000000000001 109.131 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.18 92.58 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.702 1.371 . . . . 23.960000000000001 114.702 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.1 tp -65.0 -44.8 88.08 Favored 'General case' 0 C--O 1.195 -1.783 0 CA-C-O 122.522 1.153 . . . . 28.460000000000001 110.234 178.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.71 -41.52 86.53 Favored 'General case' 0 CA--C 1.49 -1.343 0 O-C-N 119.813 -1.804 . . . . 32.859999999999999 113.271 177.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -67.62 -40.51 84.67 Favored 'General case' 0 C--O 1.254 1.34 0 CA-C-O 118.022 -0.99 . . . . 38.630000000000003 110.14 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . 0.533 ' CD ' ' SG ' ' B' ' 9' ' ' CYS . 77.8 tttt -59.78 -41.15 90.49 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.588 0.631 . . . . 23.93 112.216 176.348 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' CYS . . . . . 0.65 ' SG ' ' CD ' ' C' ' 8' ' ' LYS . 92.4 m -67.3 -37.04 82.73 Favored 'General case' 0 C--O 1.187 -2.187 0 O-C-N 120.267 -1.52 . . . . 20.739999999999998 113.954 177.432 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.45 87.46 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-O 117.834 -1.079 . . . . 22.309999999999999 111.434 173.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.88 73.81 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 107.324 -1.362 . . . . 22.75 107.324 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 mt -59.93 -40.48 89.03 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.16 -1.016 . . . . 26.149999999999999 111.914 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . 0.739 ' OE1' ' NZ ' ' C' ' 8' ' ' LYS . 88.6 tt0 -65.14 -40.12 93.99 Favored 'General case' 0 C--N 1.261 -3.272 0 O-C-N 119.909 -1.744 . . . . 35.079999999999998 113.001 -178.3 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.4 m -63.66 -43.06 97.83 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 117.71 -1.138 . . . . 21.329999999999998 109.875 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.2 mttt -67.62 -37.87 83.11 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 118.942 0.792 . . . . 39.380000000000003 110.157 -176.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.7 mt -62.82 -48.93 76.94 Favored 'General case' 0 C--O 1.178 -2.687 0 O-C-N 120.606 -1.309 . . . . 15.119999999999999 110.64 -179.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -61.42 -39.31 90.3 Favored 'General case' 0 C--O 1.255 1.384 0 C-N-CA 119.476 -0.89 . . . . 21.32 110.505 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.21 89.37 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.618 -0.833 . . . . 16.550000000000001 110.181 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . 1.011 ' CD1' ' CD1' ' B' ' 16' ' ' LEU . 15.4 mt -62.85 -36.52 83.53 Favored 'General case' 0 C--O 1.174 -2.907 0 CA-C-N 118.615 0.643 . . . . 16.260000000000002 110.747 -179.905 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -61.21 -44.12 97.79 Favored 'General case' 0 C--O 1.186 -2.244 0 O-C-N 121.554 -0.716 . . . . 13.4 110.567 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -71.79 -32.3 67.49 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 117.93 -1.508 . . . . 34.969999999999999 111.267 -176.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -71.78 -38.38 70.33 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.484 -0.886 . . . . 17.670000000000002 109.89 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.5 mt -66.07 -35.16 79.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.23 -1.544 . . . . 11.390000000000001 110.79 173.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -64.27 -42.0 96.65 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 118.349 -1.341 . . . . 9.2300000000000004 110.067 -179.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -47.71 83.78 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 113.299 0.851 . . . . 10.470000000000001 113.299 175.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . 0.84 ' CD1' ' CD1' ' B' ' 23' ' ' LEU . 80.7 mt -68.35 -25.38 65.06 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 118.928 -0.558 . . . . 15.32 111.275 -179.142 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -71.02 -24.9 62.46 Favored 'General case' 0 C--O 1.284 2.901 0 O-C-N 124.925 1.39 . . . . 17.629999999999999 109.674 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -106.43 23.47 14.12 Favored 'General case' 0 C--O 1.191 -1.992 0 O-C-N 121.351 -0.843 . . . . 18.960000000000001 112.388 -173.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.1 -17.4 44.56 Favored Glycine 0 C--O 1.209 -1.444 0 CA-C-O 115.29 -2.95 . . . . 20.640000000000001 113.249 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.235 -4.394 1 CA-C-N 125.971 4.885 . . . . 13.67 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.591 . . . . . . . . 9.8599999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -69.64 -41.45 75.58 Favored 'General case' 0 C--O 1.303 3.881 0 O-C-N 121.059 -1.025 . . . . 22.649999999999999 112.257 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' TRP . . . . . 1.125 ' CH2' ' CE3' ' A' ' 2' ' ' TRP . 52.6 t-105 -61.92 -53.34 57.15 Favored 'General case' 0 C--N 1.27 -2.848 0 O-C-N 119.919 -1.738 . . . . 29.09 111.487 177.004 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.44 -44.97 55.59 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 107.068 -1.456 . . . . 12.550000000000001 107.068 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.87 91.03 Favored 'General case' 0 C--O 1.281 2.713 0 CA-C-N 120.131 1.332 . . . . 14.91 110.015 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' LEU . . . . . . . . . . . . . 18.5 tp -76.31 -36.58 58.24 Favored 'General case' 0 C--O 1.28 2.678 0 O-C-N 119.755 -1.841 . . . . 24.780000000000001 109.392 -178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.69 -42.03 82.85 Favored 'General case' 0 CA--C 1.475 -1.916 0 O-C-N 117.786 -3.071 . . . . 31.359999999999999 112.499 172.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -69.74 -38.41 76.82 Favored 'General case' 0 C--O 1.274 2.372 0 N-CA-C 106.263 -1.755 . . . . 30.059999999999999 106.263 -177.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . 0.93 ' CD ' ' SG ' ' C' ' 9' ' ' CYS . 77.6 tttt -62.55 -45.85 91.04 Favored 'General case' 0 C--O 1.195 -1.811 0 CA-C-N 118.588 0.631 . . . . 31.879999999999999 110.966 -179.153 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' CYS . . . . . 0.533 ' SG ' ' CD ' ' A' ' 8' ' ' LYS . 96.8 m -64.05 -40.6 96.66 Favored 'General case' 0 C--O 1.18 -2.587 0 C-N-CA 119.227 -0.989 . . . . 21.41 112.055 179.392 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.22 95.97 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 119.503 -0.879 . . . . 20.460000000000001 110.645 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.72 -42.51 91.0 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.37 -1.456 . . . . 18.760000000000002 108.324 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.02 -39.02 93.18 Favored 'General case' 0 C--O 1.27 2.178 0 CA-C-O 116.374 -1.774 . . . . 27.109999999999999 109.397 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . 0.518 ' OE1' ' CE ' ' A' ' 8' ' ' LYS . 23.7 tt0 -62.99 -43.6 98.34 Favored 'General case' 0 C--O 1.278 2.59 0 CA-C-N 121.64 2.018 . . . . 28.350000000000001 111.374 174.955 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 29.0 m -60.13 -50.12 74.93 Favored 'General case' 0 C--O 1.273 2.313 0 CA-C-N 120.821 1.646 . . . . 22.579999999999998 109.297 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . 1.338 ' CE ' ' OE2' ' C' ' 20' ' ' GLU . 77.8 mttt -59.53 -44.25 93.25 Favored 'General case' 1 C--O 1.153 -4.001 0 N-CA-C 113.092 0.775 . . . . 17.43 113.092 -179.947 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . 1.011 ' CD1' ' CD1' ' A' ' 19' ' ' LEU . 14.1 tp -61.34 -41.16 96.59 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.305 -0.628 . . . . 23.460000000000001 109.305 178.732 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -62.77 -42.05 99.51 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-N 120.621 1.555 . . . . 29.120000000000001 110.548 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.56 86.29 Favored 'General case' 0 N--CA 1.389 -3.48 0 CA-C-N 120.747 1.612 . . . . 16.57 110.818 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' LEU . . . . . . . . . . . . . 40.3 tp -68.84 -36.23 77.92 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 123.281 1.515 . . . . 13.380000000000001 111.909 179.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -68.01 -34.22 76.09 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 118.446 -1.302 . . . . 16.850000000000001 109.444 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.96 -48.0 78.21 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 119.923 1.238 . . . . 29.460000000000001 108.518 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -63.82 -36.12 82.86 Favored 'General case' 0 N--CA 1.426 -1.627 0 O-C-N 119.395 -2.065 . . . . 32.509999999999998 113.749 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . 0.84 ' CD1' ' CD1' ' A' ' 26' ' ' LEU . 13.6 tp -61.85 -43.4 98.93 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.221 -0.592 . . . . 11.710000000000001 110.637 174.235 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -63.35 -40.12 96.42 Favored 'General case' 0 CA--C 1.471 -2.094 0 CA-C-O 123.66 1.695 . . . . 9.1999999999999993 110.313 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.99 96.34 Favored 'General case' 0 CA--C 1.476 -1.878 0 O-C-N 117.631 -3.168 . . . . 12.41 113.535 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 41.6 tp -65.76 -41.85 91.57 Favored 'General case' 0 C--O 1.288 3.082 0 O-C-N 120.453 -1.405 . . . . 18.440000000000001 111.899 176.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.68 -41.24 72.29 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 120.041 -1.662 . . . . 14.800000000000001 110.417 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -109.54 -17.7 13.68 Favored 'General case' 0 CA--C 1.469 -2.164 0 CA-C-O 116.711 -1.614 . . . . 11.390000000000001 112.433 -168.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.51 8.38 64.16 Favored Glycine 0 CA--C 1.488 -1.639 0 CA-C-N 121.696 2.044 . . . . 17.73 113.256 -171.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.918 0 CA-C-N 121.143 2.472 . . . . 14.83 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.353 . . . . . . . . 11.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -67.08 -42.44 84.66 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 112.338 0.496 . . . . 33.759999999999998 112.338 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -67.7 -42.14 82.48 Favored 'General case' 0 C--O 1.264 1.823 0 CA-C-O 122.84 1.305 . . . . 21.73 110.729 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mp0 -65.0 -39.19 93.09 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 119.714 -1.866 . . . . 12.93 107.452 -177.324 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.43 88.55 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 120.028 1.285 . . . . 11.52 108.607 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 39.0 tp -70.16 -39.44 75.32 Favored 'General case' 0 C--O 1.272 2.261 0 CA-C-N 120.223 1.374 . . . . 19.469999999999999 107.882 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.15 -39.12 93.74 Favored 'General case' 0 N--CA 1.415 -2.216 0 O-C-N 118.455 -2.653 . . . . 25.449999999999999 111.875 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.99 -44.66 95.41 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 119.882 -1.762 . . . . 27.289999999999999 109.435 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . 0.739 ' NZ ' ' OE1' ' A' ' 13' ' ' GLU . 26.1 tttp -61.09 -42.69 98.98 Favored 'General case' 0 C--O 1.189 -2.12 0 CA-C-N 118.917 0.78 . . . . 31.73 111.81 178.077 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' CYS . . . . . 0.93 ' SG ' ' CD ' ' B' ' 8' ' ' LYS . 53.6 m -64.5 -40.64 96.03 Favored 'General case' 0 C--O 1.179 -2.627 0 N-CA-C 113.093 0.775 . . . . 20.07 113.093 177.564 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.47 89.08 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 120.372 -1.455 . . . . 17.280000000000001 111.239 172.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.95 82.64 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 119.839 1.199 . . . . 14.5 108.197 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 98.8 mt -67.24 -36.88 82.56 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 120.345 1.43 . . . . 22.039999999999999 110.169 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLU . . . . . 0.445 ' OE1' ' CE ' ' B' ' 8' ' ' LYS . 73.3 tt0 -63.53 -43.02 98.36 Favored 'General case' 0 C--O 1.198 -1.646 0 O-C-N 120.992 -1.067 . . . . 33.32 111.262 176.617 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -65.02 -44.72 88.22 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 108.73 -0.841 . . . . 16.98 108.73 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 66.9 tttt -68.36 -33.84 75.0 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.577 -0.897 . . . . 20.579999999999998 108.577 -178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . 1.287 ' CD2' ' CE ' ' B' ' 15' ' ' LYS . 10.0 tt -66.75 -33.29 75.29 Favored 'General case' 0 C--O 1.276 2.467 0 O-C-N 125.08 1.487 . . . . 17.289999999999999 113.467 -179.379 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLN . . . . . 0.755 ' CG ' ' NZ ' ' C' ' 21' ' ' LYS . 70.7 tp60 -71.96 -37.54 69.91 Favored 'General case' 0 C--O 1.281 2.723 0 C-N-CA 117.815 -1.554 . . . . 19.710000000000001 110.861 179.385 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.26 94.37 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.334 1.021 . . . . 12.970000000000001 108.844 175.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.46 -35.36 77.46 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.54 -1.35 . . . . 19.98 110.101 -175.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLU . . . . . 1.338 ' OE2' ' CE ' ' B' ' 15' ' ' LYS . 94.1 mt-10 -64.97 -40.28 94.74 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 119.074 -1.05 . . . . 19.93 110.339 177.063 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' LYS . . . . . 0.755 ' NZ ' ' CG ' ' C' ' 17' ' ' GLN . 50.4 mmtt -74.87 -28.74 60.77 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 124.479 1.112 . . . . 23.27 110.05 177.639 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -58.73 -49.88 75.97 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 118.569 -0.729 . . . . 12.779999999999999 110.454 -174.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 tp -66.48 -39.16 88.62 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 118.751 -1.179 . . . . 20.949999999999999 110.563 174.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -66.65 -35.29 79.8 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 121.679 0.752 . . . . 13.48 111.41 175.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.32 92.31 Favored 'General case' 0 C--O 1.258 1.544 0 CA-C-N 115.733 -0.667 . . . . 12.640000000000001 110.572 178.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' LEU . . . . . 0.721 ' CD1' ' O ' ' C' ' 49' ' ' HOH . 38.3 mt -70.98 -31.6 68.2 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 119.848 -1.783 . . . . 15.039999999999999 111.339 -178.584 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -62.37 -26.92 68.72 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.858 0.863 . . . . 20.539999999999999 109.047 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -106.1 22.41 15.73 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.677 1.126 . . . . 23.670000000000002 110.31 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.28 -64.93 0.58 Allowed Glycine 0 N--CA 1.43 -1.719 0 CA-C-O 118.861 -0.966 . . . . 27.199999999999999 114.849 172.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.032 2 O-C-N 96.679 -15.601 . . . . 30.0 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' HOH . . . . . 0.721 ' O ' ' CD1' ' C' ' 26' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.542 . . . . . . . . 25.420000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.15 -49.03 79.23 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 130.466 3.507 . . . . 41.369999999999997 108.741 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' TRP . . . . . 1.125 ' CE3' ' CH2' ' B' ' 2' ' ' TRP . 60.6 t-105 -68.78 -46.43 68.73 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 122.355 1.074 . . . . 31.16 111.636 -176.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -58.64 -41.37 85.84 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 115.29 -0.868 . . . . 28.030000000000001 109.131 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.18 92.58 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.702 1.371 . . . . 23.960000000000001 114.702 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LEU . . . . . 0.456 HD23 ' CH2' ' B' ' 2' ' ' TRP . 22.1 tp -65.0 -44.8 88.08 Favored 'General case' 0 C--O 1.195 -1.783 0 CA-C-O 122.522 1.153 . . . . 28.460000000000001 110.234 178.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.71 -41.52 86.53 Favored 'General case' 0 CA--C 1.49 -1.343 0 O-C-N 119.813 -1.804 . . . . 32.859999999999999 113.271 177.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -67.62 -40.51 84.67 Favored 'General case' 0 C--O 1.254 1.34 0 CA-C-O 118.022 -0.99 . . . . 38.630000000000003 110.14 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.851 ' HE3' ' OE1' ' B' ' 13' ' ' GLU . 77.8 tttt -59.78 -41.15 90.49 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.588 0.631 . . . . 23.93 112.216 176.348 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' CYS . . . . . 0.766 ' SG ' ' HD3' ' C' ' 8' ' ' LYS . 92.4 m -67.3 -37.04 82.73 Favored 'General case' 0 C--O 1.187 -2.187 0 O-C-N 120.267 -1.52 . . . . 26.890000000000001 113.954 177.432 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.45 87.46 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-O 117.834 -1.079 . . . . 22.309999999999999 111.434 173.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.88 73.81 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 107.324 -1.362 . . . . 22.75 107.324 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 mt -59.93 -40.48 89.03 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.16 -1.016 . . . . 26.149999999999999 111.914 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . 0.573 ' OE1' ' NZ ' ' C' ' 8' ' ' LYS . 88.6 tt0 -65.14 -40.12 93.99 Favored 'General case' 0 C--N 1.261 -3.272 0 O-C-N 119.909 -1.744 . . . . 35.079999999999998 113.001 -178.3 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.4 m -63.66 -43.06 97.83 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 117.71 -1.138 . . . . 22.75 109.875 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.549 ' HB3' HD21 ' B' ' 16' ' ' LEU . 64.2 mttt -67.62 -37.87 83.11 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 118.942 0.792 . . . . 39.380000000000003 110.157 -176.265 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . 0.574 HD12 HD22 ' C' ' 12' ' ' LEU . 23.7 mt -62.82 -48.93 76.94 Favored 'General case' 0 C--O 1.178 -2.687 0 O-C-N 120.606 -1.309 . . . . 15.119999999999999 110.64 -179.864 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -61.42 -39.31 90.3 Favored 'General case' 0 C--O 1.255 1.384 0 C-N-CA 119.476 -0.89 . . . . 21.32 110.505 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.21 89.37 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.618 -0.833 . . . . 16.550000000000001 110.181 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . 1.018 HD12 HD11 ' B' ' 16' ' ' LEU . 15.4 mt -62.85 -36.52 83.53 Favored 'General case' 0 C--O 1.174 -2.907 0 CA-C-N 118.615 0.643 . . . . 18.550000000000001 110.747 -179.905 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' HG3' HD21 ' C' ' 19' ' ' LEU . 21.9 tt0 -61.21 -44.12 97.79 Favored 'General case' 0 C--O 1.186 -2.244 0 O-C-N 121.554 -0.716 . . . . 15.279999999999999 110.567 175.292 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -71.79 -32.3 67.49 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 117.93 -1.508 . . . . 34.969999999999999 111.267 -176.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -71.78 -38.38 70.33 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.484 -0.886 . . . . 17.670000000000002 109.89 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' HG ' ' HG2' ' C' ' 22' ' ' LYS . 57.5 mt -66.07 -35.16 79.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.23 -1.544 . . . . 19.0 110.79 173.544 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -64.27 -42.0 96.65 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 118.349 -1.341 . . . . 9.2300000000000004 110.067 -179.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -47.71 83.78 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 113.299 0.851 . . . . 10.470000000000001 113.299 175.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . 1.125 ' CD1' HD11 ' B' ' 23' ' ' LEU . 80.7 mt -68.35 -25.38 65.06 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 118.928 -0.558 . . . . 17.789999999999999 111.275 -179.142 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -71.02 -24.9 62.46 Favored 'General case' 0 C--O 1.284 2.901 0 O-C-N 124.925 1.39 . . . . 17.629999999999999 109.674 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -106.43 23.47 14.12 Favored 'General case' 0 C--O 1.191 -1.992 0 O-C-N 121.351 -0.843 . . . . 18.960000000000001 112.388 -173.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.1 -17.4 44.56 Favored Glycine 0 C--O 1.209 -1.444 0 CA-C-O 115.29 -2.95 . . . . 20.640000000000001 113.249 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.235 -4.394 1 CA-C-N 125.971 4.885 . . . . 13.67 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.591 . . . . . . . . 9.8599999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -69.64 -41.45 75.58 Favored 'General case' 0 C--O 1.303 3.881 0 O-C-N 121.059 -1.025 . . . . 22.649999999999999 112.257 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' TRP . . . . . 1.125 ' CH2' ' CE3' ' A' ' 2' ' ' TRP . 52.6 t-105 -61.92 -53.34 57.15 Favored 'General case' 0 C--N 1.27 -2.848 0 O-C-N 119.919 -1.738 . . . . 29.09 111.487 177.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.44 -44.97 55.59 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 107.068 -1.456 . . . . 15.16 107.068 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.87 91.03 Favored 'General case' 0 C--O 1.281 2.713 0 CA-C-N 120.131 1.332 . . . . 14.91 110.015 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 5' ' ' LEU . 18.5 tp -76.31 -36.58 58.24 Favored 'General case' 0 C--O 1.28 2.678 0 O-C-N 119.755 -1.841 . . . . 24.780000000000001 109.392 -178.623 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.69 -42.03 82.85 Favored 'General case' 0 CA--C 1.475 -1.916 0 O-C-N 117.786 -3.071 . . . . 31.359999999999999 112.499 172.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -69.74 -38.41 76.82 Favored 'General case' 0 C--O 1.274 2.372 0 N-CA-C 106.263 -1.755 . . . . 30.059999999999999 106.263 -177.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . 0.93 ' CD ' ' SG ' ' C' ' 9' ' ' CYS . 77.6 tttt -62.55 -45.85 91.04 Favored 'General case' 0 C--O 1.195 -1.811 0 CA-C-N 118.588 0.631 . . . . 31.879999999999999 110.966 -179.153 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' CYS . . . . . 0.61 ' SG ' ' HD3' ' A' ' 8' ' ' LYS . 96.8 m -64.05 -40.6 96.66 Favored 'General case' 0 C--O 1.18 -2.587 0 C-N-CA 119.227 -0.989 . . . . 29.800000000000001 112.055 179.392 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.22 95.97 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 119.503 -0.879 . . . . 20.460000000000001 110.645 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.72 -42.51 91.0 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.37 -1.456 . . . . 18.760000000000002 108.324 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.02 -39.02 93.18 Favored 'General case' 0 C--O 1.27 2.178 0 CA-C-O 116.374 -1.774 . . . . 27.109999999999999 109.397 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . 0.851 ' OE1' ' HE3' ' A' ' 8' ' ' LYS . 23.7 tt0 -62.99 -43.6 98.34 Favored 'General case' 0 C--O 1.278 2.59 0 CA-C-N 121.64 2.018 . . . . 28.350000000000001 111.374 174.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 29.0 m -60.13 -50.12 74.93 Favored 'General case' 0 C--O 1.273 2.313 0 CA-C-N 120.821 1.646 . . . . 22.579999999999998 109.297 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 1.581 ' HE2' ' CD2' ' C' ' 16' ' ' LEU . 77.8 mttt -59.53 -44.25 93.25 Favored 'General case' 1 C--O 1.153 -4.001 0 N-CA-C 113.092 0.775 . . . . 21.239999999999998 113.092 -179.947 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . 1.018 HD11 HD12 ' A' ' 19' ' ' LEU . 14.1 tp -61.34 -41.16 96.59 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.305 -0.628 . . . . 23.460000000000001 109.305 178.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -62.77 -42.05 99.51 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-N 120.621 1.555 . . . . 29.120000000000001 110.548 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.56 86.29 Favored 'General case' 0 N--CA 1.389 -3.48 0 CA-C-N 120.747 1.612 . . . . 16.57 110.818 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' LEU . . . . . 1.092 HD21 ' HG2' ' C' ' 20' ' ' GLU . 40.3 tp -68.84 -36.23 77.92 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 123.281 1.515 . . . . 13.380000000000001 111.909 179.982 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -68.01 -34.22 76.09 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 118.446 -1.302 . . . . 16.850000000000001 109.444 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.96 -48.0 78.21 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 119.923 1.238 . . . . 29.460000000000001 108.518 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -63.82 -36.12 82.86 Favored 'General case' 0 N--CA 1.426 -1.627 0 O-C-N 119.395 -2.065 . . . . 32.509999999999998 113.749 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . 1.125 HD11 ' CD1' ' A' ' 26' ' ' LEU . 13.6 tp -61.85 -43.4 98.93 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.221 -0.592 . . . . 11.710000000000001 110.637 174.235 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -63.35 -40.12 96.42 Favored 'General case' 0 CA--C 1.471 -2.094 0 CA-C-O 123.66 1.695 . . . . 9.1999999999999993 110.313 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.99 96.34 Favored 'General case' 0 CA--C 1.476 -1.878 0 O-C-N 117.631 -3.168 . . . . 12.41 113.535 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . 0.671 HD21 ' HG ' ' C' ' 26' ' ' LEU . 41.6 tp -65.76 -41.85 91.57 Favored 'General case' 0 C--O 1.288 3.082 0 O-C-N 120.453 -1.405 . . . . 18.440000000000001 111.899 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.68 -41.24 72.29 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 120.041 -1.662 . . . . 14.800000000000001 110.417 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -109.54 -17.7 13.68 Favored 'General case' 0 CA--C 1.469 -2.164 0 CA-C-O 116.711 -1.614 . . . . 11.390000000000001 112.433 -168.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.51 8.38 64.16 Favored Glycine 0 CA--C 1.488 -1.639 0 CA-C-N 121.696 2.044 . . . . 17.73 113.256 -171.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.918 0 CA-C-N 121.143 2.472 . . . . 14.83 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.353 . . . . . . . . 11.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -67.08 -42.44 84.66 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 112.338 0.496 . . . . 33.759999999999998 112.338 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -67.7 -42.14 82.48 Favored 'General case' 0 C--O 1.264 1.823 0 CA-C-O 122.84 1.305 . . . . 21.73 110.729 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mp0 -65.0 -39.19 93.09 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 119.714 -1.866 . . . . 12.93 107.452 -177.324 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.43 88.55 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 120.028 1.285 . . . . 11.52 108.607 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 39.0 tp -70.16 -39.44 75.32 Favored 'General case' 0 C--O 1.272 2.261 0 CA-C-N 120.223 1.374 . . . . 19.469999999999999 107.882 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.15 -39.12 93.74 Favored 'General case' 0 N--CA 1.415 -2.216 0 O-C-N 118.455 -2.653 . . . . 25.449999999999999 111.875 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.99 -44.66 95.41 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 119.882 -1.762 . . . . 27.289999999999999 109.435 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . 0.766 ' HD3' ' SG ' ' A' ' 9' ' ' CYS . 26.1 tttp -61.09 -42.69 98.98 Favored 'General case' 0 C--O 1.189 -2.12 0 CA-C-N 118.917 0.78 . . . . 31.73 111.81 178.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' CYS . . . . . 0.93 ' SG ' ' CD ' ' B' ' 8' ' ' LYS . 53.6 m -64.5 -40.64 96.03 Favored 'General case' 0 C--O 1.179 -2.627 0 N-CA-C 113.093 0.775 . . . . 22.379999999999999 113.093 177.564 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.47 89.08 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 120.372 -1.455 . . . . 17.280000000000001 111.239 172.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.95 82.64 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 119.839 1.199 . . . . 14.5 108.197 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 16' ' ' LEU . 98.8 mt -67.24 -36.88 82.56 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 120.345 1.43 . . . . 22.039999999999999 110.169 178.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLU . . . . . 0.813 ' OE1' ' HE3' ' B' ' 8' ' ' LYS . 73.3 tt0 -63.53 -43.02 98.36 Favored 'General case' 0 C--O 1.198 -1.646 0 O-C-N 120.992 -1.067 . . . . 33.32 111.262 176.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -65.02 -44.72 88.22 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 108.73 -0.841 . . . . 20.890000000000001 108.73 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' C' ' 48' ' ' HOH . 66.9 tttt -68.36 -33.84 75.0 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.577 -0.897 . . . . 20.579999999999998 108.577 -178.746 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . 1.581 ' CD2' ' HE2' ' B' ' 15' ' ' LYS . 10.0 tt -66.75 -33.29 75.29 Favored 'General case' 0 C--O 1.276 2.467 0 O-C-N 125.08 1.487 . . . . 17.289999999999999 113.467 -179.379 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLN . . . . . 0.934 ' HG3' ' HZ2' ' C' ' 21' ' ' LYS . 70.7 tp60 -71.96 -37.54 69.91 Favored 'General case' 0 C--O 1.281 2.723 0 C-N-CA 117.815 -1.554 . . . . 19.710000000000001 110.861 179.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.26 94.37 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.334 1.021 . . . . 12.970000000000001 108.844 175.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . 0.523 HD12 ' CD1' ' A' ' 16' ' ' LEU . 88.2 mt -68.46 -35.36 77.46 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.54 -1.35 . . . . 19.98 110.101 -175.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLU . . . . . 1.522 ' CD ' ' HE3' ' B' ' 15' ' ' LYS . 94.1 mt-10 -64.97 -40.28 94.74 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 119.074 -1.05 . . . . 19.93 110.339 177.063 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' LYS . . . . . 0.934 ' HZ2' ' HG3' ' C' ' 17' ' ' GLN . 50.4 mmtt -74.87 -28.74 60.77 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 124.479 1.112 . . . . 23.27 110.05 177.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' HG ' ' A' ' 23' ' ' LEU . 79.0 tttt -58.73 -49.88 75.97 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 118.569 -0.729 . . . . 12.779999999999999 110.454 -174.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . 0.688 HD23 HD12 ' B' ' 19' ' ' LEU . 13.7 tp -66.48 -39.16 88.62 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 118.751 -1.179 . . . . 20.949999999999999 110.563 174.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -66.65 -35.29 79.8 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 121.679 0.752 . . . . 18.920000000000002 111.41 175.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.32 92.31 Favored 'General case' 0 C--O 1.258 1.544 0 CA-C-N 115.733 -0.667 . . . . 12.640000000000001 110.572 178.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' LEU . . . . . 0.721 ' CD1' ' O ' ' C' ' 49' ' ' HOH . 38.3 mt -70.98 -31.6 68.2 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 119.848 -1.783 . . . . 15.039999999999999 111.339 -178.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -62.37 -26.92 68.72 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.858 0.863 . . . . 20.539999999999999 109.047 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -106.1 22.41 15.73 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.677 1.126 . . . . 23.670000000000002 110.31 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.28 -64.93 0.58 Allowed Glycine 0 N--CA 1.43 -1.719 0 CA-C-O 118.861 -0.966 . . . . 27.199999999999999 114.849 172.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.032 2 O-C-N 96.679 -15.601 . . . . 30.0 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 33' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 31' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 48' ' ' HOH . . . . . 0.435 ' O ' ' HG3' ' C' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 49' ' ' HOH . . . . . 0.721 ' O ' ' CD1' ' C' ' 26' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.542 . . . . . . . . 25.420000000000002 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -60.15 -49.03 79.23 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 130.466 3.507 . . . . 41.369999999999997 108.741 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' TRP . . . . . 1.125 ' CE3' ' CH2' ' B' ' 2' ' ' TRP . 60.6 t-105 -68.78 -46.43 68.73 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-O 122.355 1.074 . . . . 31.16 111.636 -176.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.3 mp0 -58.64 -41.37 85.84 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 115.29 -0.868 . . . . 28.030000000000001 109.131 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.18 92.58 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 114.702 1.371 . . . . 23.960000000000001 114.702 176.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.456 HD23 ' CH2' ' B' ' 2' ' ' TRP . 22.1 tp -65.0 -44.8 88.08 Favored 'General case' 0 C--O 1.195 -1.783 0 CA-C-O 122.522 1.153 . . . . 28.460000000000001 110.234 178.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -58.71 -41.52 86.53 Favored 'General case' 0 CA--C 1.49 -1.343 0 O-C-N 119.813 -1.804 . . . . 32.859999999999999 113.271 177.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.1 mttt -67.62 -40.51 84.67 Favored 'General case' 0 C--O 1.254 1.34 0 CA-C-O 118.022 -0.99 . . . . 38.630000000000003 110.14 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.851 ' HE3' ' OE1' ' B' ' 13' ' ' GLU . 77.8 tttt -59.78 -41.15 90.49 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.588 0.631 . . . . 23.93 112.216 176.348 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.766 ' SG ' ' HD3' ' C' ' 8' ' ' LYS . 92.4 m -67.3 -37.04 82.73 Favored 'General case' 0 C--O 1.187 -2.187 0 O-C-N 120.267 -1.52 . . . . 26.890000000000001 113.954 177.432 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.03 -37.45 87.46 Favored 'General case' 0 C--O 1.256 1.434 0 CA-C-O 117.834 -1.079 . . . . 22.309999999999999 111.434 173.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.72 -45.88 73.81 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 107.324 -1.362 . . . . 22.75 107.324 177.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.1 mt -59.93 -40.48 89.03 Favored 'General case' 0 C--N 1.312 -1.065 0 C-N-CA 119.16 -1.016 . . . . 26.149999999999999 111.914 179.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.573 ' OE1' ' NZ ' ' C' ' 8' ' ' LYS . 88.6 tt0 -65.14 -40.12 93.99 Favored 'General case' 0 C--N 1.261 -3.272 0 O-C-N 119.909 -1.744 . . . . 35.079999999999998 113.001 -178.3 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 71.4 m -63.66 -43.06 97.83 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 117.71 -1.138 . . . . 22.75 109.875 173.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.549 ' HB3' HD21 ' B' ' 16' ' ' LEU . 64.2 mttt -67.62 -37.87 83.11 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 118.942 0.792 . . . . 39.380000000000003 110.157 -176.265 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.574 HD12 HD22 ' C' ' 12' ' ' LEU . 23.7 mt -62.82 -48.93 76.94 Favored 'General case' 0 C--O 1.178 -2.687 0 O-C-N 120.606 -1.309 . . . . 15.119999999999999 110.64 -179.864 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -61.42 -39.31 90.3 Favored 'General case' 0 C--O 1.255 1.384 0 C-N-CA 119.476 -0.89 . . . . 21.32 110.505 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.8 -43.21 89.37 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.618 -0.833 . . . . 16.550000000000001 110.181 177.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.018 HD12 HD11 ' B' ' 16' ' ' LEU . 15.4 mt -62.85 -36.52 83.53 Favored 'General case' 0 C--O 1.174 -2.907 0 CA-C-N 118.615 0.643 . . . . 18.550000000000001 110.747 -179.905 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.457 ' HG3' HD21 ' C' ' 19' ' ' LEU . 21.9 tt0 -61.21 -44.12 97.79 Favored 'General case' 0 C--O 1.186 -2.244 0 O-C-N 121.554 -0.716 . . . . 15.279999999999999 110.567 175.292 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.0 mmtm -71.79 -32.3 67.49 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 117.93 -1.508 . . . . 34.969999999999999 111.267 -176.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -71.78 -38.38 70.33 Favored 'General case' 0 CA--C 1.508 -0.664 0 C-N-CA 119.484 -0.886 . . . . 17.670000000000002 109.89 179.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.461 ' HG ' ' HG2' ' C' ' 22' ' ' LYS . 57.5 mt -66.07 -35.16 79.79 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.23 -1.544 . . . . 19.0 110.79 173.544 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -64.27 -42.0 96.65 Favored 'General case' 0 C--N 1.371 1.54 0 C-N-CA 118.349 -1.341 . . . . 9.2300000000000004 110.067 -179.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -58.79 -47.71 83.78 Favored 'General case' 0 CA--C 1.505 -0.767 0 N-CA-C 113.299 0.851 . . . . 10.470000000000001 113.299 175.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.125 ' CD1' HD11 ' B' ' 23' ' ' LEU . 80.7 mt -68.35 -25.38 65.06 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 118.928 -0.558 . . . . 17.789999999999999 111.275 -179.142 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -71.02 -24.9 62.46 Favored 'General case' 0 C--O 1.284 2.901 0 O-C-N 124.925 1.39 . . . . 17.629999999999999 109.674 177.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 80.6 m80 -106.43 23.47 14.12 Favored 'General case' 0 C--O 1.191 -1.992 0 O-C-N 121.351 -0.843 . . . . 18.960000000000001 112.388 -173.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 105.1 -17.4 44.56 Favored Glycine 0 C--O 1.209 -1.444 0 CA-C-O 115.29 -2.95 . . . . 20.640000000000001 113.249 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.235 -4.394 1 CA-C-N 125.971 4.885 . . . . 13.67 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.591 . . . . . . . . 9.8599999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -69.64 -41.45 75.58 Favored 'General case' 0 C--O 1.303 3.881 0 O-C-N 121.059 -1.025 . . . . 22.649999999999999 112.257 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' TRP . . . . . 1.125 ' CH2' ' CE3' ' A' ' 2' ' ' TRP . 52.6 t-105 -61.92 -53.34 57.15 Favored 'General case' 0 C--N 1.27 -2.848 0 O-C-N 119.919 -1.738 . . . . 29.09 111.487 177.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -50.44 -44.97 55.59 Favored 'General case' 0 C--O 1.266 1.943 0 N-CA-C 107.068 -1.456 . . . . 15.16 107.068 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.49 -38.87 91.03 Favored 'General case' 0 C--O 1.281 2.713 0 CA-C-N 120.131 1.332 . . . . 14.91 110.015 -175.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 5' ' ' LEU . 18.5 tp -76.31 -36.58 58.24 Favored 'General case' 0 C--O 1.28 2.678 0 O-C-N 119.755 -1.841 . . . . 24.780000000000001 109.392 -178.623 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -57.69 -42.03 82.85 Favored 'General case' 0 CA--C 1.475 -1.916 0 O-C-N 117.786 -3.071 . . . . 31.359999999999999 112.499 172.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 40.6 mtmt -69.74 -38.41 76.82 Favored 'General case' 0 C--O 1.274 2.372 0 N-CA-C 106.263 -1.755 . . . . 30.059999999999999 106.263 -177.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.93 ' CD ' ' SG ' ' C' ' 9' ' ' CYS . 77.6 tttt -62.55 -45.85 91.04 Favored 'General case' 0 C--O 1.195 -1.811 0 CA-C-N 118.588 0.631 . . . . 31.879999999999999 110.966 -179.153 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' CYS . . . . . 0.61 ' SG ' ' HD3' ' A' ' 8' ' ' LYS . 96.8 m -64.05 -40.6 96.66 Favored 'General case' 0 C--O 1.18 -2.587 0 C-N-CA 119.227 -0.989 . . . . 29.800000000000001 112.055 179.392 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.48 -40.22 95.97 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 119.503 -0.879 . . . . 20.460000000000001 110.645 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.72 -42.51 91.0 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.37 -1.456 . . . . 18.760000000000002 108.324 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.02 -39.02 93.18 Favored 'General case' 0 C--O 1.27 2.178 0 CA-C-O 116.374 -1.774 . . . . 27.109999999999999 109.397 176.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . 0.851 ' OE1' ' HE3' ' A' ' 8' ' ' LYS . 23.7 tt0 -62.99 -43.6 98.34 Favored 'General case' 0 C--O 1.278 2.59 0 CA-C-N 121.64 2.018 . . . . 28.350000000000001 111.374 174.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 29.0 m -60.13 -50.12 74.93 Favored 'General case' 0 C--O 1.273 2.313 0 CA-C-N 120.821 1.646 . . . . 22.579999999999998 109.297 178.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 1.581 ' HE2' ' CD2' ' C' ' 16' ' ' LEU . 77.8 mttt -59.53 -44.25 93.25 Favored 'General case' 1 C--O 1.153 -4.001 0 N-CA-C 113.092 0.775 . . . . 21.239999999999998 113.092 -179.947 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . 1.018 HD11 HD12 ' A' ' 19' ' ' LEU . 14.1 tp -61.34 -41.16 96.59 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 109.305 -0.628 . . . . 23.460000000000001 109.305 178.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 60.4 mt-30 -62.77 -42.05 99.51 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-N 120.621 1.555 . . . . 29.120000000000001 110.548 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.56 86.29 Favored 'General case' 0 N--CA 1.389 -3.48 0 CA-C-N 120.747 1.612 . . . . 16.57 110.818 179.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' LEU . . . . . 1.092 HD21 ' HG2' ' C' ' 20' ' ' GLU . 40.3 tp -68.84 -36.23 77.92 Favored 'General case' 0 CA--C 1.561 1.372 0 CA-C-O 123.281 1.515 . . . . 13.380000000000001 111.909 179.982 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -68.01 -34.22 76.09 Favored 'General case' 0 C--O 1.258 1.51 0 C-N-CA 118.446 -1.302 . . . . 16.850000000000001 109.444 179.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.1 ttmt -63.96 -48.0 78.21 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 119.923 1.238 . . . . 29.460000000000001 108.518 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -63.82 -36.12 82.86 Favored 'General case' 0 N--CA 1.426 -1.627 0 O-C-N 119.395 -2.065 . . . . 32.509999999999998 113.749 178.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . 1.125 HD11 ' CD1' ' A' ' 26' ' ' LEU . 13.6 tp -61.85 -43.4 98.93 Favored 'General case' 0 C--N 1.313 -1.001 0 C-N-CA 120.221 -0.592 . . . . 11.710000000000001 110.637 174.235 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 mm-40 -63.35 -40.12 96.42 Favored 'General case' 0 CA--C 1.471 -2.094 0 CA-C-O 123.66 1.695 . . . . 9.1999999999999993 110.313 179.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ALA . . . . . . . . . . . . . . . -64.69 -40.99 96.34 Favored 'General case' 0 CA--C 1.476 -1.878 0 O-C-N 117.631 -3.168 . . . . 12.41 113.535 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.671 HD21 ' HG ' ' C' ' 26' ' ' LEU . 41.6 tp -65.76 -41.85 91.57 Favored 'General case' 0 C--O 1.288 3.082 0 O-C-N 120.453 -1.405 . . . . 18.440000000000001 111.899 176.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.68 -41.24 72.29 Favored 'General case' 0 C--N 1.307 -1.28 0 O-C-N 120.041 -1.662 . . . . 14.800000000000001 110.417 -175.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' HIS . . . . . . . . . . . . . 73.5 m-70 -109.54 -17.7 13.68 Favored 'General case' 0 CA--C 1.469 -2.164 0 CA-C-O 116.711 -1.614 . . . . 11.390000000000001 112.433 -168.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . -97.51 8.38 64.16 Favored Glycine 0 CA--C 1.488 -1.639 0 CA-C-N 121.696 2.044 . . . . 17.73 113.256 -171.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.918 0 CA-C-N 121.143 2.472 . . . . 14.83 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.222 -0.353 . . . . . . . . 11.76 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -67.08 -42.44 84.66 Favored 'General case' 0 C--N 1.302 -1.491 0 N-CA-C 112.338 0.496 . . . . 33.759999999999998 112.338 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' TRP . . . . . . . . . . . . . 67.7 t-105 -67.7 -42.14 82.48 Favored 'General case' 0 C--O 1.264 1.823 0 CA-C-O 122.84 1.305 . . . . 21.73 110.729 178.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 52.5 mp0 -65.0 -39.19 93.09 Favored 'General case' 0 C--O 1.267 1.977 0 O-C-N 119.714 -1.866 . . . . 12.93 107.452 -177.324 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.96 -38.43 88.55 Favored 'General case' 0 C--O 1.249 1.036 0 CA-C-N 120.028 1.285 . . . . 11.52 108.607 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' LEU . . . . . . . . . . . . . 39.0 tp -70.16 -39.44 75.32 Favored 'General case' 0 C--O 1.272 2.261 0 CA-C-N 120.223 1.374 . . . . 19.469999999999999 107.882 -179.502 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -63.15 -39.12 93.74 Favored 'General case' 0 N--CA 1.415 -2.216 0 O-C-N 118.455 -2.653 . . . . 25.449999999999999 111.875 177.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -62.99 -44.66 95.41 Favored 'General case' 0 C--O 1.239 0.551 0 O-C-N 119.882 -1.762 . . . . 27.289999999999999 109.435 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.766 ' HD3' ' SG ' ' A' ' 9' ' ' CYS . 26.1 tttp -61.09 -42.69 98.98 Favored 'General case' 0 C--O 1.189 -2.12 0 CA-C-N 118.917 0.78 . . . . 31.73 111.81 178.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' CYS . . . . . 0.93 ' SG ' ' CD ' ' B' ' 8' ' ' LYS . 53.6 m -64.5 -40.64 96.03 Favored 'General case' 0 C--O 1.179 -2.627 0 N-CA-C 113.093 0.775 . . . . 22.379999999999999 113.093 177.564 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.14 -38.47 89.08 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 120.372 -1.455 . . . . 17.280000000000001 111.239 172.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.16 -38.95 82.64 Favored 'General case' 0 C--O 1.252 1.196 0 CA-C-N 119.839 1.199 . . . . 14.5 108.197 178.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . 0.574 HD22 HD12 ' A' ' 16' ' ' LEU . 98.8 mt -67.24 -36.88 82.56 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-N 120.345 1.43 . . . . 22.039999999999999 110.169 178.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLU . . . . . 0.813 ' OE1' ' HE3' ' B' ' 8' ' ' LYS . 73.3 tt0 -63.53 -43.02 98.36 Favored 'General case' 0 C--O 1.198 -1.646 0 O-C-N 120.992 -1.067 . . . . 33.32 111.262 176.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -65.02 -44.72 88.22 Favored 'General case' 0 N--CA 1.433 -1.28 0 N-CA-C 108.73 -0.841 . . . . 20.890000000000001 108.73 -179.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' C' ' 48' ' ' HOH . 66.9 tttt -68.36 -33.84 75.0 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.577 -0.897 . . . . 20.579999999999998 108.577 -178.746 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . 1.581 ' CD2' ' HE2' ' B' ' 15' ' ' LYS . 10.0 tt -66.75 -33.29 75.29 Favored 'General case' 0 C--O 1.276 2.467 0 O-C-N 125.08 1.487 . . . . 17.289999999999999 113.467 -179.379 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLN . . . . . 0.934 ' HG3' ' HZ2' ' C' ' 21' ' ' LYS . 70.7 tp60 -71.96 -37.54 69.91 Favored 'General case' 0 C--O 1.281 2.723 0 C-N-CA 117.815 -1.554 . . . . 19.710000000000001 110.861 179.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.9 -44.26 94.37 Favored 'General case' 0 N--CA 1.478 0.931 0 O-C-N 124.334 1.021 . . . . 12.970000000000001 108.844 175.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . 0.523 HD12 ' CD1' ' A' ' 16' ' ' LEU . 88.2 mt -68.46 -35.36 77.46 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 120.54 -1.35 . . . . 19.98 110.101 -175.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLU . . . . . 1.522 ' CD ' ' HE3' ' B' ' 15' ' ' LYS . 94.1 mt-10 -64.97 -40.28 94.74 Favored 'General case' 0 C--O 1.249 1.073 0 C-N-CA 119.074 -1.05 . . . . 19.93 110.339 177.063 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' LYS . . . . . 0.934 ' HZ2' ' HG3' ' C' ' 17' ' ' GLN . 50.4 mmtt -74.87 -28.74 60.77 Favored 'General case' 0 CA--C 1.495 -1.136 0 O-C-N 124.479 1.112 . . . . 23.27 110.05 177.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' LYS . . . . . 0.461 ' HG2' ' HG ' ' A' ' 23' ' ' LEU . 79.0 tttt -58.73 -49.88 75.97 Favored 'General case' 0 C--O 1.247 0.952 0 CA-C-O 118.569 -0.729 . . . . 12.779999999999999 110.454 -174.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.688 HD23 HD12 ' B' ' 19' ' ' LEU . 13.7 tp -66.48 -39.16 88.62 Favored 'General case' 0 C--O 1.257 1.477 0 C-N-CA 118.751 -1.179 . . . . 20.949999999999999 110.563 174.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 71.3 mt-10 -66.65 -35.29 79.8 Favored 'General case' 0 CA--C 1.493 -1.226 0 CA-C-O 121.679 0.752 . . . . 18.920000000000002 111.41 175.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ALA . . . . . . . . . . . . . . . -59.22 -43.32 92.31 Favored 'General case' 0 C--O 1.258 1.544 0 CA-C-N 115.733 -0.667 . . . . 12.640000000000001 110.572 178.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.721 ' CD1' ' O ' ' C' ' 49' ' ' HOH . 38.3 mt -70.98 -31.6 68.2 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 119.848 -1.783 . . . . 15.039999999999999 111.339 -178.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -62.37 -26.92 68.72 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 123.858 0.863 . . . . 20.539999999999999 109.047 177.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -106.1 22.41 15.73 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 119.677 1.126 . . . . 23.670000000000002 110.31 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 135.28 -64.93 0.58 Allowed Glycine 0 N--CA 1.43 -1.719 0 CA-C-O 118.861 -0.966 . . . . 27.199999999999999 114.849 172.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.22 -5.032 2 O-C-N 96.679 -15.601 . . . . 30.0 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' EDO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' HOH . . . . . 0.435 ' O ' ' HG3' ' C' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' HOH . . . . . 0.721 ' O ' ' CD1' ' C' ' 26' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_