data_5nnm_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 5nnm _Structure_validation_residue.Date_analyzed 2018-01-19 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' LEU . . . . . 0.579 ' CD1' ' N ' ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.77 0 CA-C-O 115.328 -2.272 . . . . 42.99 114.285 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.279 15.5 tp -60.41 -43.06 97.06 Favored 'General case' 1 N--CA 1.553 4.724 0 N-CA-C 118.724 2.861 . . . . 46.47 118.724 -173.319 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.68 -36.45 93.15 Favored Glycine 1 C--O 1.298 4.13 0 CA-C-O 118.396 -1.225 . . . . 36.35 115.522 172.22 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -62.51 -41.28 98.73 Favored 'General case' 0 CA--C 1.624 3.812 0 C-N-CA 124.881 1.272 . . . . 37.6 109.921 171.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -55.89 -53.06 61.42 Favored 'General case' 1 N--CA 1.555 4.781 0 N-CA-C 115.946 1.832 . . . . 41.21 115.946 172.262 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -59.77 -45.19 93.04 Favored 'General case' 0 CA--C 1.612 3.331 0 N-CA-C 115.497 1.665 . . . . 42.8 115.497 176.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ARG . . . . . 0.798 ' NH1' ' O ' ' A' ' 201' ' ' HOH . 13.7 ttm180 -57.3 -44.31 83.97 Favored 'General case' 1 N--CA 1.552 4.639 0 N-CA-C 116.177 1.917 . . . . 64.52 116.177 175.099 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -78.27 -28.29 47.61 Favored 'General case' 0 CA--C 1.611 3.311 0 C-N-CA 125.072 1.349 . . . . 102.75 113.767 -176.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -69.61 -39.8 77.02 Favored 'General case' 0 N--CA 1.505 2.303 0 C-N-CA 124.882 1.273 . . . . 40.02 113.766 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -60.86 -45.27 95.18 Favored 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 116.421 2.008 . . . . 73.42 116.421 168.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -52.73 -46.12 67.29 Favored 'General case' 1 N--CA 1.542 4.169 0 N-CA-C 115.735 1.754 . . . . 84.23 115.735 171.148 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -47.48 85.9 Favored 'General case' 1 CA--C 1.639 4.398 0 N-CA-C 116.112 1.893 . . . . 64.47 116.112 177.098 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.27 96.7 mt -60.36 -48.78 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.856 0 C-N-CA 126.515 1.926 . . . . 41.24 114.715 168.913 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.32 -38.7 69.53 Favored Glycine 0 CA--C 1.559 2.832 0 N-CA-C 120.931 3.132 . . . . 37.77 120.931 168.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -61.4 -38.51 87.34 Favored 'General case' 0 N--CA 1.511 2.601 0 N-CA-C 116.915 2.191 . . . . 88.34 116.915 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.88 -40.98 75.37 Favored 'General case' 0 C--O 1.292 3.303 0 N-CA-C 116.701 2.111 . . . . 56.72 116.701 173.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -55.13 -37.95 67.59 Favored 'General case' 1 N--CA 1.549 4.518 0 CA-C-N 119.355 0.98 . . . . 42.77 111.843 169.372 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -69.53 -31.48 69.73 Favored 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 119.082 2.993 . . . . 69.65 119.082 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -63.45 -39.59 94.89 Favored 'General case' 0 CA--C 1.619 3.612 0 C-N-CA 125.363 1.465 . . . . 67.44 114.108 169.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.66 -48.07 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.539 4.0 0 C-N-CA 126.541 1.937 . . . . 36.84 114.422 170.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.0 t -58.44 -48.68 84.58 Favored 'Isoleucine or valine' 0 CA--C 1.615 3.458 0 N-CA-C 114.534 1.309 . . . . 35.05 114.534 174.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -61.35 -41.97 97.93 Favored 'General case' 0 N--CA 1.515 2.823 0 O-C-N 120.476 -1.39 . . . . 49.59 114.612 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -61.98 -37.76 86.0 Favored 'General case' 1 C--O 1.309 4.233 0 CA-C-N 119.577 1.08 . . . . 34.82 112.757 175.969 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.53 -43.2 93.92 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.192 0 C-N-CA 124.535 1.134 . . . . 41.09 111.601 175.415 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -65.03 -36.18 83.55 Favored 'General case' 0 N--CA 1.538 3.956 0 N-CA-C 115.356 1.613 . . . . 75.32 115.356 179.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -68.18 -44.32 76.17 Favored 'General case' 0 CA--C 1.604 3.027 0 C-N-CA 125.5 1.52 . . . . 41.74 114.328 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -52.14 -51.67 56.45 Favored 'General case' 1 N--CA 1.573 5.694 0 N-CA-C 114.422 1.267 . . . . 43.11 114.422 168.344 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.89 -31.25 72.07 Favored 'General case' 0 C--O 1.26 1.641 0 N-CA-C 115.931 1.826 . . . . 39.42 115.931 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -71.43 -37.22 71.46 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 116.17 1.915 . . . . 77.66 116.17 174.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -69.54 -12.8 61.94 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 114.581 1.326 . . . . 51.0 114.581 -175.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.14 -26.37 42.82 Favored 'General case' 0 N--CA 1.502 2.16 0 C-N-CA 125.305 1.442 . . . . 51.03 111.489 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -50.46 124.31 18.58 Favored Pre-proline 0 CA--C 1.592 2.581 0 CA-C-N 118.978 0.808 . . . . 83.33 110.189 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -51.48 -29.47 31.67 Favored 'Trans proline' 0 C--N 1.385 2.478 0 N-CA-C 116.216 1.583 . . . . 104.51 116.216 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 . . . . . 0 C--O 1.251 1.138 0 C-N-CA 127.533 2.333 . . . . 154.55 113.225 179.936 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 118.376 2.732 . . . . 103.73 118.376 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . 0.298 18.3 tp -57.14 -43.43 82.45 Favored 'General case' 0 N--CA 1.534 3.733 0 CA-C-N 122.656 2.48 . . . . 51.25 116.497 171.375 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.59 -35.71 91.54 Favored Glycine 0 CA--C 1.55 2.28 0 N-CA-C 117.506 1.762 . . . . 38.69 117.506 170.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASP . . . . . 0.513 ' OD2' ' NH2' ' B' ' 7' ' ' ARG . 74.5 m-20 -63.25 -41.44 99.07 Favored 'General case' 1 N--CA 1.546 4.344 0 C-N-CA 125.425 1.49 . . . . 65.0 110.956 170.089 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -55.96 -50.54 70.52 Favored 'General case' 1 N--CA 1.55 4.542 0 N-CA-C 116.562 2.06 . . . . 41.59 116.562 170.925 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -63.58 -40.16 96.23 Favored 'General case' 1 CA--C 1.639 4.387 0 N-CA-C 113.547 0.943 . . . . 44.89 113.547 178.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ARG . . . . . 0.513 ' NH2' ' OD2' ' B' ' 4' ' ' ASP . 11.3 ttm180 -58.75 -46.3 87.75 Favored 'General case' 0 CA--C 1.602 2.958 0 N-CA-C 116.989 2.218 . . . . 79.06 116.989 172.053 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -79.35 -27.56 42.01 Favored 'General case' 0 CA--C 1.596 2.714 0 N-CA-C 115.992 1.849 . . . . 84.75 115.992 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -65.45 -41.29 93.59 Favored 'General case' 0 CA--C 1.584 2.257 0 C-N-CA 124.532 1.133 . . . . 56.35 113.577 170.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.68 -45.64 89.15 Favored 'General case' 0 C--O 1.258 1.537 0 N-CA-C 114.82 1.415 . . . . 105.45 114.82 173.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -58.84 -39.06 80.12 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 124.822 1.249 . . . . 107.1 112.771 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -59.99 -51.14 70.94 Favored 'General case' 0 CA--C 1.592 2.592 0 N-CA-C 115.972 1.842 . . . . 117.64 115.972 174.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.42 -48.41 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.584 0 N-CA-C 115.936 1.828 . . . . 47.88 115.936 172.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.09 -42.36 48.17 Favored Glycine 0 CA--C 1.559 2.799 0 N-CA-C 121.083 3.193 . . . . 43.85 121.083 162.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -37.78 83.54 Favored 'General case' 0 CA--C 1.589 2.443 0 N-CA-C 116.434 2.013 . . . . 66.74 116.434 172.669 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.81 -40.54 65.75 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 118.505 2.78 . . . . 74.1 118.505 171.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -54.84 -34.66 63.13 Favored 'General case' 0 N--CA 1.514 2.774 0 C-N-CA 124.518 1.127 . . . . 38.89 109.496 169.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LYS . . . . . 0.417 ' NZ ' ' O ' ' B' ' 602' ' ' HOH . 5.3 mttp -71.8 -33.69 68.76 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 117.857 2.54 . . . . 94.89 117.857 175.951 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ARG . . . . . 0.755 ' NH1' ' O ' ' B' ' 601' ' ' HOH . 56.1 mtt85 -61.82 -42.04 98.53 Favored 'General case' 0 CA--C 1.584 2.272 0 N-CA-C 113.568 0.951 . . . . 52.03 113.568 171.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 99.0 mt -56.76 -48.45 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.062 0 C-N-CA 126.165 1.786 . . . . 37.9 115.347 169.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.03 -47.2 80.59 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.421 0 N-CA-C 115.86 1.8 . . . . 39.35 115.86 172.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.27 -37.03 85.91 Favored 'General case' 0 C--O 1.29 3.212 0 N-CA-C 118.697 2.851 . . . . 77.21 118.697 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -60.76 -40.69 93.42 Favored 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 115.036 1.495 . . . . 54.45 115.036 172.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 92.7 mt -60.14 -42.11 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.096 0 C-N-CA 125.267 1.427 . . . . 41.68 110.937 174.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -65.83 -36.42 83.43 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 115.456 1.65 . . . . 74.88 115.456 178.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -67.49 -44.93 77.31 Favored 'General case' 0 N--CA 1.511 2.577 0 N-CA-C 115.916 1.821 . . . . 72.37 115.916 173.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -53.18 -50.21 65.09 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 123.849 0.86 . . . . 52.25 113.271 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.57 -30.15 66.77 Favored 'General case' 0 CA--C 1.587 2.377 0 N-CA-C 114.956 1.465 . . . . 58.52 114.956 -176.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -73.11 -33.74 65.74 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.684 1.194 . . . . 132.0 113.016 173.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.29 -16.0 63.78 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 117.419 2.377 . . . . 78.08 117.419 -179.314 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 95.2 mt -79.85 -27.57 40.14 Favored 'General case' 0 CA--C 1.583 2.239 0 N-CA-C 116.935 2.198 . . . . 61.5 116.935 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.518 2.933 0 N-CA-C 118.612 2.819 . . . . 65.13 118.612 -171.747 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 501' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 502' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 503' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . 0.798 ' O ' ' NH1' ' A' ' 7' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 601' ' ' HOH . . . . . 0.755 ' O ' ' NH1' ' B' ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 602' ' ' HOH . . . . . 0.417 ' O ' ' NZ ' ' B' ' 18' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LEU . . . . . 0.737 ' N ' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.77 0 CA-C-O 115.328 -2.272 . . . . 42.990000000000002 114.285 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.279 15.5 tp -60.41 -43.06 97.06 Favored 'General case' 1 N--CA 1.553 4.724 0 N-CA-C 118.724 2.861 . . . . 46.469999999999999 118.724 -173.319 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.68 -36.45 93.15 Favored Glycine 1 C--O 1.298 4.13 0 CA-C-O 118.396 -1.225 . . . . 36.350000000000001 115.522 172.22 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -62.51 -41.28 98.73 Favored 'General case' 0 CA--C 1.624 3.812 0 C-N-CA 124.881 1.272 . . . . 37.600000000000001 109.921 171.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -55.89 -53.06 61.42 Favored 'General case' 1 N--CA 1.555 4.781 0 N-CA-C 115.946 1.832 . . . . 41.210000000000001 115.946 172.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -59.77 -45.19 93.04 Favored 'General case' 0 CA--C 1.612 3.331 0 N-CA-C 115.497 1.665 . . . . 42.799999999999997 115.497 176.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -57.3 -44.31 83.97 Favored 'General case' 1 N--CA 1.552 4.639 0 N-CA-C 116.177 1.917 . . . . 64.519999999999996 116.177 175.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -78.27 -28.29 47.61 Favored 'General case' 0 CA--C 1.611 3.311 0 C-N-CA 125.072 1.349 . . . . 102.75 113.767 -176.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -69.61 -39.8 77.02 Favored 'General case' 0 N--CA 1.505 2.303 0 C-N-CA 124.882 1.273 . . . . 40.020000000000003 113.766 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -60.86 -45.27 95.18 Favored 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 116.421 2.008 . . . . 73.420000000000002 116.421 168.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -52.73 -46.12 67.29 Favored 'General case' 1 N--CA 1.542 4.169 0 N-CA-C 115.735 1.754 . . . . 84.230000000000004 115.735 171.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -47.48 85.9 Favored 'General case' 1 CA--C 1.639 4.398 0 N-CA-C 116.112 1.893 . . . . 64.469999999999999 116.112 177.098 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.27 96.7 mt -60.36 -48.78 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.856 0 C-N-CA 126.515 1.926 . . . . 41.240000000000002 114.715 168.913 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.32 -38.7 69.53 Favored Glycine 0 CA--C 1.559 2.832 0 N-CA-C 120.931 3.132 . . . . 37.770000000000003 120.931 168.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -61.4 -38.51 87.34 Favored 'General case' 0 N--CA 1.511 2.601 0 N-CA-C 116.915 2.191 . . . . 88.340000000000003 116.915 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.88 -40.98 75.37 Favored 'General case' 0 C--O 1.292 3.303 0 N-CA-C 116.701 2.111 . . . . 56.719999999999999 116.701 173.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -55.13 -37.95 67.59 Favored 'General case' 1 N--CA 1.549 4.518 0 CA-C-N 119.355 0.98 . . . . 42.770000000000003 111.843 169.372 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -69.53 -31.48 69.73 Favored 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 119.082 2.993 . . . . 69.650000000000006 119.082 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -63.45 -39.59 94.89 Favored 'General case' 0 CA--C 1.619 3.612 0 C-N-CA 125.363 1.465 . . . . 67.439999999999998 114.108 169.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.66 -48.07 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.539 4.0 0 C-N-CA 126.541 1.937 . . . . 36.840000000000003 114.422 170.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.0 t -58.44 -48.68 84.58 Favored 'Isoleucine or valine' 0 CA--C 1.615 3.458 0 N-CA-C 114.534 1.309 . . . . 35.049999999999997 114.534 174.934 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -61.35 -41.97 97.93 Favored 'General case' 0 N--CA 1.515 2.823 0 O-C-N 120.476 -1.39 . . . . 49.590000000000003 114.612 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -61.98 -37.76 86.0 Favored 'General case' 1 C--O 1.309 4.233 0 CA-C-N 119.577 1.08 . . . . 38.689999999999998 112.757 175.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.53 -43.2 93.92 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.192 0 C-N-CA 124.535 1.134 . . . . 41.090000000000003 111.601 175.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -65.03 -36.18 83.55 Favored 'General case' 0 N--CA 1.538 3.956 0 N-CA-C 115.356 1.613 . . . . 75.319999999999993 115.356 179.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -68.18 -44.32 76.17 Favored 'General case' 0 CA--C 1.604 3.027 0 C-N-CA 125.5 1.52 . . . . 41.740000000000002 114.328 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -52.14 -51.67 56.45 Favored 'General case' 1 N--CA 1.573 5.694 0 N-CA-C 114.422 1.267 . . . . 43.109999999999999 114.422 168.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.89 -31.25 72.07 Favored 'General case' 0 C--O 1.26 1.641 0 N-CA-C 115.931 1.826 . . . . 39.420000000000002 115.931 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -71.43 -37.22 71.46 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 116.17 1.915 . . . . 77.659999999999997 116.17 174.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -69.54 -12.8 61.94 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 114.581 1.326 . . . . 51.0 114.581 -175.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.14 -26.37 42.82 Favored 'General case' 0 N--CA 1.502 2.16 0 C-N-CA 125.305 1.442 . . . . 51.030000000000001 111.489 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -50.46 124.31 18.58 Favored Pre-proline 0 CA--C 1.592 2.581 0 CA-C-N 118.978 0.808 . . . . 83.329999999999998 110.189 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -51.48 -29.47 31.67 Favored 'Trans proline' 0 C--N 1.385 2.478 0 N-CA-C 116.216 1.583 . . . . 104.51000000000001 116.216 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 . . . . . 0 C--O 1.251 1.138 0 C-N-CA 127.533 2.333 . . . . 154.55000000000001 113.225 179.936 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 118.376 2.732 . . . . 103.73 118.376 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . 0.298 18.3 tp -57.14 -43.43 82.45 Favored 'General case' 0 N--CA 1.534 3.733 0 CA-C-N 122.656 2.48 . . . . 51.25 116.497 171.375 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.59 -35.71 91.54 Favored Glycine 0 CA--C 1.55 2.28 0 N-CA-C 117.506 1.762 . . . . 38.689999999999998 117.506 170.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASP . . . . . 0.513 ' OD2' ' NH2' ' B' ' 7' ' ' ARG . 74.5 m-20 -63.25 -41.44 99.07 Favored 'General case' 1 N--CA 1.546 4.344 0 C-N-CA 125.425 1.49 . . . . 65.0 110.956 170.089 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -55.96 -50.54 70.52 Favored 'General case' 1 N--CA 1.55 4.542 0 N-CA-C 116.562 2.06 . . . . 41.590000000000003 116.562 170.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -63.58 -40.16 96.23 Favored 'General case' 1 CA--C 1.639 4.387 0 N-CA-C 113.547 0.943 . . . . 44.890000000000001 113.547 178.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ARG . . . . . 0.513 ' NH2' ' OD2' ' B' ' 4' ' ' ASP . 11.3 ttm180 -58.75 -46.3 87.75 Favored 'General case' 0 CA--C 1.602 2.958 0 N-CA-C 116.989 2.218 . . . . 79.060000000000002 116.989 172.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -79.35 -27.56 42.01 Favored 'General case' 0 CA--C 1.596 2.714 0 N-CA-C 115.992 1.849 . . . . 84.75 115.992 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -65.45 -41.29 93.59 Favored 'General case' 0 CA--C 1.584 2.257 0 C-N-CA 124.532 1.133 . . . . 56.350000000000001 113.577 170.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.68 -45.64 89.15 Favored 'General case' 0 C--O 1.258 1.537 0 N-CA-C 114.82 1.415 . . . . 105.45 114.82 173.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -58.84 -39.06 80.12 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 124.822 1.249 . . . . 107.09999999999999 112.771 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -59.99 -51.14 70.94 Favored 'General case' 0 CA--C 1.592 2.592 0 N-CA-C 115.972 1.842 . . . . 117.64 115.972 174.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.42 -48.41 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.584 0 N-CA-C 115.936 1.828 . . . . 47.880000000000003 115.936 172.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.09 -42.36 48.17 Favored Glycine 0 CA--C 1.559 2.799 0 N-CA-C 121.083 3.193 . . . . 43.850000000000001 121.083 162.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -37.78 83.54 Favored 'General case' 0 CA--C 1.589 2.443 0 N-CA-C 116.434 2.013 . . . . 66.739999999999995 116.434 172.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.81 -40.54 65.75 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 118.505 2.78 . . . . 74.099999999999994 118.505 171.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -54.84 -34.66 63.13 Favored 'General case' 0 N--CA 1.514 2.774 0 C-N-CA 124.518 1.127 . . . . 38.890000000000001 109.496 169.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -71.8 -33.69 68.76 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 117.857 2.54 . . . . 94.890000000000001 117.857 175.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ARG . . . . . 0.594 ' NH1' ' O ' ' B' ' 601' ' ' HOH . 56.1 mtt85 -61.82 -42.04 98.53 Favored 'General case' 0 CA--C 1.584 2.272 0 N-CA-C 113.568 0.951 . . . . 52.030000000000001 113.568 171.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 99.0 mt -56.76 -48.45 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.062 0 C-N-CA 126.165 1.786 . . . . 37.899999999999999 115.347 169.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.03 -47.2 80.59 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.421 0 N-CA-C 115.86 1.8 . . . . 39.350000000000001 115.86 172.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.27 -37.03 85.91 Favored 'General case' 0 C--O 1.29 3.212 0 N-CA-C 118.697 2.851 . . . . 77.209999999999994 118.697 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -60.76 -40.69 93.42 Favored 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 115.036 1.495 . . . . 54.450000000000003 115.036 172.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 92.7 mt -60.14 -42.11 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.096 0 C-N-CA 125.267 1.427 . . . . 41.68 110.937 174.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -65.83 -36.42 83.43 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 115.456 1.65 . . . . 74.879999999999995 115.456 178.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -67.49 -44.93 77.31 Favored 'General case' 0 N--CA 1.511 2.577 0 N-CA-C 115.916 1.821 . . . . 72.370000000000005 115.916 173.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -53.18 -50.21 65.09 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 123.849 0.86 . . . . 52.25 113.271 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.57 -30.15 66.77 Favored 'General case' 0 CA--C 1.587 2.377 0 N-CA-C 114.956 1.465 . . . . 58.520000000000003 114.956 -176.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -73.11 -33.74 65.74 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.684 1.194 . . . . 132.0 113.016 173.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.29 -16.0 63.78 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 117.419 2.377 . . . . 78.079999999999998 117.419 -179.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 95.2 mt -79.85 -27.57 40.14 Favored 'General case' 0 CA--C 1.583 2.239 0 N-CA-C 116.935 2.198 . . . . 61.5 116.935 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.518 2.933 0 N-CA-C 118.612 2.819 . . . . 65.129999999999995 118.612 -171.747 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 501' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 502' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 503' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 601' ' ' HOH . . . . . 0.594 ' O ' ' NH1' ' B' ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.737 ' N ' HD12 ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.77 0 CA-C-O 115.328 -2.272 . . . . 42.990000000000002 114.285 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . 0.279 15.5 tp -60.41 -43.06 97.06 Favored 'General case' 1 N--CA 1.553 4.724 0 N-CA-C 118.724 2.861 . . . . 46.469999999999999 118.724 -173.319 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -64.68 -36.45 93.15 Favored Glycine 1 C--O 1.298 4.13 0 CA-C-O 118.396 -1.225 . . . . 36.350000000000001 115.522 172.22 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.4 m-20 -62.51 -41.28 98.73 Favored 'General case' 0 CA--C 1.624 3.812 0 C-N-CA 124.881 1.272 . . . . 37.600000000000001 109.921 171.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 87.9 t80 -55.89 -53.06 61.42 Favored 'General case' 1 N--CA 1.555 4.781 0 N-CA-C 115.946 1.832 . . . . 41.210000000000001 115.946 172.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -59.77 -45.19 93.04 Favored 'General case' 0 CA--C 1.612 3.331 0 N-CA-C 115.497 1.665 . . . . 42.799999999999997 115.497 176.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -57.3 -44.31 83.97 Favored 'General case' 1 N--CA 1.552 4.639 0 N-CA-C 116.177 1.917 . . . . 64.519999999999996 116.177 175.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -78.27 -28.29 47.61 Favored 'General case' 0 CA--C 1.611 3.311 0 C-N-CA 125.072 1.349 . . . . 102.75 113.767 -176.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -69.61 -39.8 77.02 Favored 'General case' 0 N--CA 1.505 2.303 0 C-N-CA 124.882 1.273 . . . . 40.020000000000003 113.766 175.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -60.86 -45.27 95.18 Favored 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 116.421 2.008 . . . . 73.420000000000002 116.421 168.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -52.73 -46.12 67.29 Favored 'General case' 1 N--CA 1.542 4.169 0 N-CA-C 115.735 1.754 . . . . 84.230000000000004 115.735 171.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.21 -47.48 85.9 Favored 'General case' 1 CA--C 1.639 4.398 0 N-CA-C 116.112 1.893 . . . . 64.469999999999999 116.112 177.098 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . 0.27 96.7 mt -60.36 -48.78 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.516 2.856 0 C-N-CA 126.515 1.926 . . . . 41.240000000000002 114.715 168.913 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -55.32 -38.7 69.53 Favored Glycine 0 CA--C 1.559 2.832 0 N-CA-C 120.931 3.132 . . . . 37.770000000000003 120.931 168.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 mtmm -61.4 -38.51 87.34 Favored 'General case' 0 N--CA 1.511 2.601 0 N-CA-C 116.915 2.191 . . . . 88.340000000000003 116.915 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -69.88 -40.98 75.37 Favored 'General case' 0 C--O 1.292 3.303 0 N-CA-C 116.701 2.111 . . . . 56.719999999999999 116.701 173.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.0 m-85 -55.13 -37.95 67.59 Favored 'General case' 1 N--CA 1.549 4.518 0 CA-C-N 119.355 0.98 . . . . 42.770000000000003 111.843 169.372 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.8 mtpp -69.53 -31.48 69.73 Favored 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 119.082 2.993 . . . . 69.650000000000006 119.082 174.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 63.4 mtt85 -63.45 -39.59 94.89 Favored 'General case' 0 CA--C 1.619 3.612 0 C-N-CA 125.363 1.465 . . . . 67.439999999999998 114.108 169.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 82.8 mt -58.66 -48.07 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.539 4.0 0 C-N-CA 126.541 1.937 . . . . 36.840000000000003 114.422 170.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 78.0 t -58.44 -48.68 84.58 Favored 'Isoleucine or valine' 0 CA--C 1.615 3.458 0 N-CA-C 114.534 1.309 . . . . 35.049999999999997 114.534 174.934 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 9.4 tp-100 -61.35 -41.97 97.93 Favored 'General case' 0 N--CA 1.515 2.823 0 O-C-N 120.476 -1.39 . . . . 49.590000000000003 114.612 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -61.98 -37.76 86.0 Favored 'General case' 1 C--O 1.309 4.233 0 CA-C-N 119.577 1.08 . . . . 38.689999999999998 112.757 175.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 85.5 mt -60.53 -43.2 93.92 Favored 'Isoleucine or valine' 1 N--CA 1.543 4.192 0 C-N-CA 124.535 1.134 . . . . 41.090000000000003 111.601 175.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 69.0 mttt -65.03 -36.18 83.55 Favored 'General case' 0 N--CA 1.538 3.956 0 N-CA-C 115.356 1.613 . . . . 75.319999999999993 115.356 179.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -68.18 -44.32 76.17 Favored 'General case' 0 CA--C 1.604 3.027 0 C-N-CA 125.5 1.52 . . . . 41.740000000000002 114.328 174.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -52.14 -51.67 56.45 Favored 'General case' 1 N--CA 1.573 5.694 0 N-CA-C 114.422 1.267 . . . . 43.109999999999999 114.422 168.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 60.1 mt -65.89 -31.25 72.07 Favored 'General case' 0 C--O 1.26 1.641 0 N-CA-C 115.931 1.826 . . . . 39.420000000000002 115.931 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -71.43 -37.22 71.46 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 116.17 1.915 . . . . 77.659999999999997 116.17 174.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -69.54 -12.8 61.94 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 114.581 1.326 . . . . 51.0 114.581 -175.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 94.8 mt -79.14 -26.37 42.82 Favored 'General case' 0 N--CA 1.502 2.16 0 C-N-CA 125.305 1.442 . . . . 51.030000000000001 111.489 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.5 t -50.46 124.31 18.58 Favored Pre-proline 0 CA--C 1.592 2.581 0 CA-C-N 118.978 0.808 . . . . 83.329999999999998 110.189 -177.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -51.48 -29.47 31.67 Favored 'Trans proline' 0 C--N 1.385 2.478 0 N-CA-C 116.216 1.583 . . . . 104.51000000000001 116.216 -178.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.7 ttt-85 . . . . . 0 C--O 1.251 1.138 0 C-N-CA 127.533 2.333 . . . . 154.55000000000001 113.225 179.936 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 N-CA-C 118.376 2.732 . . . . 103.73 118.376 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . 0.298 18.3 tp -57.14 -43.43 82.45 Favored 'General case' 0 N--CA 1.534 3.733 0 CA-C-N 122.656 2.48 . . . . 51.25 116.497 171.375 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -61.59 -35.71 91.54 Favored Glycine 0 CA--C 1.55 2.28 0 N-CA-C 117.506 1.762 . . . . 38.689999999999998 117.506 170.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASP . . . . . 0.513 ' OD2' ' NH2' ' B' ' 7' ' ' ARG . 74.5 m-20 -63.25 -41.44 99.07 Favored 'General case' 1 N--CA 1.546 4.344 0 C-N-CA 125.425 1.49 . . . . 65.0 110.956 170.089 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -55.96 -50.54 70.52 Favored 'General case' 1 N--CA 1.55 4.542 0 N-CA-C 116.562 2.06 . . . . 41.590000000000003 116.562 170.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -63.58 -40.16 96.23 Favored 'General case' 1 CA--C 1.639 4.387 0 N-CA-C 113.547 0.943 . . . . 44.890000000000001 113.547 178.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ARG . . . . . 0.513 ' NH2' ' OD2' ' B' ' 4' ' ' ASP . 11.3 ttm180 -58.75 -46.3 87.75 Favored 'General case' 0 CA--C 1.602 2.958 0 N-CA-C 116.989 2.218 . . . . 79.060000000000002 116.989 172.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 43.9 mttt -79.35 -27.56 42.01 Favored 'General case' 0 CA--C 1.596 2.714 0 N-CA-C 115.992 1.849 . . . . 84.75 115.992 -179.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 38.7 m -65.45 -41.29 93.59 Favored 'General case' 0 CA--C 1.584 2.257 0 C-N-CA 124.532 1.133 . . . . 56.350000000000001 113.577 170.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 31.0 ttpt -63.68 -45.64 89.15 Favored 'General case' 0 C--O 1.258 1.537 0 N-CA-C 114.82 1.415 . . . . 105.45 114.82 173.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -58.84 -39.06 80.12 Favored 'General case' 0 C--O 1.265 1.873 0 C-N-CA 124.822 1.249 . . . . 107.09999999999999 112.771 179.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 4.3 tttt -59.99 -51.14 70.94 Favored 'General case' 0 CA--C 1.592 2.592 0 N-CA-C 115.972 1.842 . . . . 117.64 115.972 174.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.42 -48.41 88.96 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.584 0 N-CA-C 115.936 1.828 . . . . 47.880000000000003 115.936 172.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . -51.09 -42.36 48.17 Favored Glycine 0 CA--C 1.559 2.799 0 N-CA-C 121.083 3.193 . . . . 43.850000000000001 121.083 162.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -37.78 83.54 Favored 'General case' 0 CA--C 1.589 2.443 0 N-CA-C 116.434 2.013 . . . . 66.739999999999995 116.434 172.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -72.81 -40.54 65.75 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 118.505 2.78 . . . . 74.099999999999994 118.505 171.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -54.84 -34.66 63.13 Favored 'General case' 0 N--CA 1.514 2.774 0 C-N-CA 124.518 1.127 . . . . 38.890000000000001 109.496 169.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 5.3 mttp -71.8 -33.69 68.76 Favored 'General case' 0 N--CA 1.513 2.683 0 N-CA-C 117.857 2.54 . . . . 94.890000000000001 117.857 175.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ARG . . . . . 0.594 ' NH1' ' O ' ' B' ' 601' ' ' HOH . 56.1 mtt85 -61.82 -42.04 98.53 Favored 'General case' 0 CA--C 1.584 2.272 0 N-CA-C 113.568 0.951 . . . . 52.030000000000001 113.568 171.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 99.0 mt -56.76 -48.45 80.98 Favored 'Isoleucine or valine' 0 CA--C 1.605 3.062 0 C-N-CA 126.165 1.786 . . . . 37.899999999999999 115.347 169.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 74.4 t -56.03 -47.2 80.59 Favored 'Isoleucine or valine' 0 CA--C 1.588 2.421 0 N-CA-C 115.86 1.8 . . . . 39.350000000000001 115.86 172.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -65.27 -37.03 85.91 Favored 'General case' 0 C--O 1.29 3.212 0 N-CA-C 118.697 2.851 . . . . 77.209999999999994 118.697 173.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -60.76 -40.69 93.42 Favored 'General case' 0 CA--C 1.594 2.654 0 N-CA-C 115.036 1.495 . . . . 54.450000000000003 115.036 172.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 92.7 mt -60.14 -42.11 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.521 3.096 0 C-N-CA 125.267 1.427 . . . . 41.68 110.937 174.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -65.83 -36.42 83.43 Favored 'General case' 0 C--O 1.265 1.875 0 N-CA-C 115.456 1.65 . . . . 74.879999999999995 115.456 178.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -67.49 -44.93 77.31 Favored 'General case' 0 N--CA 1.511 2.577 0 N-CA-C 115.916 1.821 . . . . 72.370000000000005 115.916 173.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -53.18 -50.21 65.09 Favored 'General case' 0 N--CA 1.505 2.301 0 C-N-CA 123.849 0.86 . . . . 52.25 113.271 171.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.57 -30.15 66.77 Favored 'General case' 0 CA--C 1.587 2.377 0 N-CA-C 114.956 1.465 . . . . 58.520000000000003 114.956 -176.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -73.11 -33.74 65.74 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 124.684 1.194 . . . . 132.0 113.016 173.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -68.29 -16.0 63.78 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 117.419 2.377 . . . . 78.079999999999998 117.419 -179.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' LEU . . . . . . . . . . . . . 95.2 mt -79.85 -27.57 40.14 Favored 'General case' 0 CA--C 1.583 2.239 0 N-CA-C 116.935 2.198 . . . . 61.5 116.935 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.518 2.933 0 N-CA-C 118.612 2.819 . . . . 65.129999999999995 118.612 -171.747 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 501' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 502' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 503' ' ' CO3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 601' ' ' HOH . . . . . 0.594 ' O ' ' NH1' ' B' ' 19' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 602' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 603' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 604' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 605' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 606' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 607' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 608' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 609' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 610' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_