data_1b6w_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 1b6w _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 117.143 -1.408 . . . . 46.14 109.206 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -89.89 -31.68 17.2 Favored 'General case' 0 C--O 1.221 -0.438 0 O-C-N 124.864 1.352 . . . . 42.33 110.763 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.8 mt -78.74 131.9 66.22 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 115.595 -2.442 . . . . 32.6 112.878 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -76.56 145.87 26.73 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 123.229 2.62 . . . . 32.74 110.96 171.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.6 mm -72.61 -32.87 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.912 0 N-CA-C 119.85 3.278 . . . . 38.56 119.85 -175.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . 0.416 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . -67.51 -41.47 31.67 Favored Pre-proline 0 N--CA 1.478 0.948 0 CA-C-O 123.605 1.669 . . . . 31.3 114.103 -173.553 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 69.9 Cg_exo -58.88 -36.25 97.24 Favored 'Trans proline' 0 C--O 1.222 -0.315 0 O-C-N 117.894 -1.687 . . . . 29.16 111.715 173.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.2 mm -66.74 -40.8 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 119.067 0.848 . . . . 26.89 110.138 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.76 -39.26 95.09 Favored Glycine 0 CA--C 1.536 1.368 0 CA-C-N 120.864 1.666 . . . . 25.6 111.266 173.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -66.34 -31.76 72.75 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 120.002 1.901 . . . . 39.89 110.19 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.59 -39.62 84.31 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-O 126.416 3.007 . . . . 20.85 111.226 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -70.08 -41.59 79.17 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 O-C-N 116.926 -3.608 . . . . 20.15 110.036 -176.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -60.11 -42.77 95.44 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.112 1.153 . . . . 51.67 114.112 172.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.18 -25.2 68.23 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.871 -1.143 . . . . 30.27 111.481 175.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.92 -4.91 58.75 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.664 -1.273 . . . . 23.94 109.662 175.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.64 -1.83 23.31 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-O 116.15 -2.472 . . . . 25.96 117.777 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 142.31 57.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 123.296 3.548 . . . . 27.27 108.579 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -81.0 -38.52 27.38 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 123.33 1.538 . . . . 44.8 111.045 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -141.83 149.78 40.77 Favored 'General case' 0 C--O 1.22 -0.469 0 O-C-N 120.531 -1.355 . . . . 50.41 110.073 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -136.42 127.72 42.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 117.014 -1.47 . . . . 27.59 107.37 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -81.64 161.0 23.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 123.082 1.42 . . . . 28.99 110.753 172.671 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.8 -38.06 84.07 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 118.514 -2.617 . . . . 44.08 111.924 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.66 -34.34 77.63 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 117.489 -1.243 . . . . 46.54 113.67 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -40.53 73.75 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 125.18 1.55 . . . . 25.1 110.209 176.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -58.19 -50.29 74.05 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 123.709 1.719 . . . . 43.29 112.621 175.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mt -61.42 -47.75 92.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 117.841 -3.037 . . . . 27.79 112.077 -179.401 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -59.32 -48.47 81.51 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 116.15 -1.881 . . . . 26.49 114.642 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.2 tp -64.03 -31.0 72.03 Favored 'General case' 0 C--O 1.254 1.336 0 CA-C-N 123.137 2.698 . . . . 17.78 109.745 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.12 86.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 118.387 -2.696 . . . . 20.25 110.482 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -64.77 -41.66 95.69 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.304 -2.122 . . . . 41.75 112.688 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 mt -69.6 -37.58 74.72 Favored 'Isoleucine or valine' 0 C--O 1.263 1.77 0 CA-C-O 122.716 1.246 . . . . 24.6 111.074 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.96 -40.98 87.64 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 117.928 -2.982 . . . . 22.13 111.888 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -60.4 -44.93 95.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.182 -0.949 . . . . 37.89 111.121 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -58.67 -50.68 72.98 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.489 -2.007 . . . . 41.78 110.027 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' MSE . . . . . 0.632 ' CG ' ' CE ' ' A' ' 35' ' ' MSE . . . -57.32 -44.47 84.21 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 120.384 1.447 . . . . 31.68 109.932 176.511 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.33 -45.48 74.83 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.351 1.453 . . . . 18.12 112.891 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -69.56 -41.92 75.23 Favored 'General case' 0 C--O 1.206 -1.207 0 CA-C-O 115.919 -1.991 . . . . 36.88 109.283 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -64.93 -42.06 95.0 Favored 'General case' 0 C--O 1.208 -1.12 0 O-C-N 125.147 1.53 . . . . 31.52 110.761 179.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.69 -41.8 93.24 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 O-C-N 120.564 -1.335 . . . . 20.78 112.063 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.55 97.38 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 117.193 -3.442 . . . . 18.13 110.264 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -64.03 -38.93 92.86 Favored 'General case' 0 C--O 1.267 1.991 0 O-C-N 120.812 -1.18 . . . . 36.52 111.53 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -70.6 -38.92 74.04 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 118.473 -2.642 . . . . 38.28 110.883 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.34 80.47 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 119.509 -1.994 . . . . 18.82 111.936 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 mt -61.29 -46.92 95.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 120.122 -1.611 . . . . 23.37 109.699 177.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -62.87 -40.22 96.82 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 119.678 -0.809 . . . . 37.89 110.975 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.98 -45.88 91.68 Favored 'General case' 0 C--O 1.264 1.827 0 C-N-CA 118.601 -1.239 . . . . 29.54 111.974 178.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.23 72.8 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.411 -0.806 . . . . 30.75 110.91 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttm105 -66.38 -40.43 89.69 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 122.608 1.194 . . . . 54.58 109.714 -178.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.06 -23.66 67.24 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.337 -1.301 . . . . 47.52 112.882 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.26 13.31 29.92 Favored 'General case' 0 N--CA 1.438 -1.068 0 O-C-N 120.584 -1.323 . . . . 38.29 112.291 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.01 21.68 73.35 Favored Glycine 0 C--O 1.251 1.206 0 CA-C-N 121.883 2.129 . . . . 39.58 115.761 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 -120.76 153.35 37.14 Favored 'General case' 0 C--O 1.215 -0.751 0 N-CA-C 113.578 0.955 . . . . 33.98 113.578 -174.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -103.54 -20.57 13.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.788 -1.19 . . . . 44.97 107.788 174.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.7 m -87.7 130.22 34.89 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 118.299 -0.858 . . . . 31.15 110.637 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.4 mm -83.98 132.69 30.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 N-CA-C 106.145 -1.798 . . . . 26.1 106.145 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -116.03 171.05 8.04 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 120.748 -1.22 . . . . 39.85 112.03 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.19 72.84 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 119.606 1.094 . . . . 24.64 111.354 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.41 -33.0 74.72 Favored 'General case' 0 C--O 1.257 1.473 0 C-N-CA 118.308 -1.357 . . . . 42.63 114.505 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -63.14 -42.33 99.46 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 118.067 -2.896 . . . . 21.44 112.036 174.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.1 mm -63.63 -46.76 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-O 125.303 2.478 . . . . 20.38 110.807 177.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -60.63 -48.61 81.0 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 118.317 -2.739 . . . . 35.64 109.343 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.5 tp -65.22 -37.4 87.16 Favored 'General case' 0 C--O 1.25 1.116 0 O-C-N 125.337 1.648 . . . . 30.78 113.272 178.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.02 89.53 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-O 117.273 -1.346 . . . . 29.45 112.548 175.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -66.59 -33.85 66.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 122.685 2.493 . . . . 38.79 111.213 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -68.1 -28.01 66.97 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 118.629 0.65 . . . . 52.67 111.89 174.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -88.88 29.73 1.0 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 116.034 1.865 . . . . 63.41 116.034 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -120.96 -25.53 5.35 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 101.676 -3.453 . . . . 67.65 101.676 173.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.247 0 CA-C-O 112.461 -3.638 . . . . 69.83 106.278 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 117.143 -1.408 . . . . 46.14 109.206 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -89.89 -31.68 17.2 Favored 'General case' 0 C--O 1.221 -0.438 0 O-C-N 124.864 1.352 . . . . 42.33 110.763 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.8 mt -78.74 131.9 66.22 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 115.595 -2.442 . . . . 32.6 112.878 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -76.56 145.87 26.73 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 123.229 2.62 . . . . 32.74 110.96 171.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.6 mm -72.61 -32.87 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.912 0 N-CA-C 119.85 3.278 . . . . 38.56 119.85 -175.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . 0.416 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . -67.51 -41.47 31.67 Favored Pre-proline 0 N--CA 1.478 0.948 0 CA-C-O 123.605 1.669 . . . . 31.3 114.103 -173.553 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 69.9 Cg_exo -58.88 -36.25 97.24 Favored 'Trans proline' 0 C--O 1.222 -0.315 0 O-C-N 117.894 -1.687 . . . . 29.16 111.715 173.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.2 mm -66.74 -40.8 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 119.067 0.848 . . . . 26.89 110.138 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.76 -39.26 95.09 Favored Glycine 0 CA--C 1.536 1.368 0 CA-C-N 120.864 1.666 . . . . 25.6 111.266 173.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -66.34 -31.76 72.75 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 120.002 1.901 . . . . 39.89 110.19 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.59 -39.62 84.31 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-O 126.416 3.007 . . . . 20.85 111.226 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -70.08 -41.59 79.17 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 O-C-N 116.926 -3.608 . . . . 20.15 110.036 -176.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -60.11 -42.77 95.44 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.112 1.153 . . . . 51.67 114.112 172.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.18 -25.2 68.23 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.871 -1.143 . . . . 30.27 111.481 175.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.92 -4.91 58.75 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.664 -1.273 . . . . 23.94 109.662 175.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.64 -1.83 23.31 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-O 116.15 -2.472 . . . . 25.96 117.777 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 142.31 57.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 123.296 3.548 . . . . 27.27 108.579 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -81.0 -38.52 27.38 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 123.33 1.538 . . . . 44.8 111.045 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -141.83 149.78 40.77 Favored 'General case' 0 C--O 1.22 -0.469 0 O-C-N 120.531 -1.355 . . . . 50.41 110.073 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -136.42 127.72 42.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 117.014 -1.47 . . . . 27.59 107.37 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -81.64 161.0 23.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 123.082 1.42 . . . . 28.99 110.753 172.671 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.8 -38.06 84.07 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 118.514 -2.617 . . . . 44.08 111.924 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.66 -34.34 77.63 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 117.489 -1.243 . . . . 46.54 113.67 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -40.53 73.75 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 125.18 1.55 . . . . 25.1 110.209 176.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -58.19 -50.29 74.05 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 123.709 1.719 . . . . 43.29 112.621 175.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mt -61.42 -47.75 92.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 117.841 -3.037 . . . . 27.79 112.077 -179.401 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -59.32 -48.47 81.51 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 116.15 -1.881 . . . . 26.49 114.642 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.2 tp -64.03 -31.0 72.03 Favored 'General case' 0 C--O 1.254 1.336 0 CA-C-N 123.137 2.698 . . . . 17.78 109.745 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.12 86.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 118.387 -2.696 . . . . 20.25 110.482 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -64.77 -41.66 95.69 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.304 -2.122 . . . . 41.75 112.688 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 mt -69.6 -37.58 74.72 Favored 'Isoleucine or valine' 0 C--O 1.263 1.77 0 CA-C-O 122.716 1.246 . . . . 24.6 111.074 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.96 -40.98 87.64 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 117.928 -2.982 . . . . 22.13 111.888 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -60.4 -44.93 95.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.182 -0.949 . . . . 37.89 111.121 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -58.67 -50.68 72.98 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.489 -2.007 . . . . 41.78 110.027 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' MSE . . . . . 0.632 ' CG ' ' CE ' ' A' ' 35' ' ' MSE . . . -57.32 -44.47 84.21 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 120.384 1.447 . . . . 31.68 109.932 176.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.33 -45.48 74.83 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.351 1.453 . . . . 18.12 112.891 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -69.56 -41.92 75.23 Favored 'General case' 0 C--O 1.206 -1.207 0 CA-C-O 115.919 -1.991 . . . . 36.88 109.283 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -64.93 -42.06 95.0 Favored 'General case' 0 C--O 1.208 -1.12 0 O-C-N 125.147 1.53 . . . . 31.52 110.761 179.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.69 -41.8 93.24 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 O-C-N 120.564 -1.335 . . . . 20.78 112.063 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.55 97.38 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 117.193 -3.442 . . . . 18.13 110.264 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -64.03 -38.93 92.86 Favored 'General case' 0 C--O 1.267 1.991 0 O-C-N 120.812 -1.18 . . . . 36.52 111.53 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -70.6 -38.92 74.04 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 118.473 -2.642 . . . . 38.28 110.883 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.34 80.47 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 119.509 -1.994 . . . . 18.82 111.936 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 mt -61.29 -46.92 95.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 120.122 -1.611 . . . . 23.37 109.699 177.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -62.87 -40.22 96.82 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 119.678 -0.809 . . . . 37.89 110.975 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.98 -45.88 91.68 Favored 'General case' 0 C--O 1.264 1.827 0 C-N-CA 118.601 -1.239 . . . . 29.54 111.974 178.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.23 72.8 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.411 -0.806 . . . . 30.75 110.91 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttm105 -66.38 -40.43 89.69 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 122.608 1.194 . . . . 54.58 109.714 -178.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.06 -23.66 67.24 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.337 -1.301 . . . . 47.52 112.882 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.26 13.31 29.92 Favored 'General case' 0 N--CA 1.438 -1.068 0 O-C-N 120.584 -1.323 . . . . 38.29 112.291 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.01 21.68 73.35 Favored Glycine 0 C--O 1.251 1.206 0 CA-C-N 121.883 2.129 . . . . 39.58 115.761 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 -120.76 153.35 37.14 Favored 'General case' 0 C--O 1.215 -0.751 0 N-CA-C 113.578 0.955 . . . . 33.98 113.578 -174.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -103.54 -20.57 13.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.788 -1.19 . . . . 44.97 107.788 174.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.7 m -87.7 130.22 34.89 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 118.299 -0.858 . . . . 31.15 110.637 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.4 mm -83.98 132.69 30.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 N-CA-C 106.145 -1.798 . . . . 26.1 106.145 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -116.03 171.05 8.04 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 120.748 -1.22 . . . . 39.85 112.03 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.19 72.84 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 119.606 1.094 . . . . 24.64 111.354 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.41 -33.0 74.72 Favored 'General case' 0 C--O 1.257 1.473 0 C-N-CA 118.308 -1.357 . . . . 42.63 114.505 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -63.14 -42.33 99.46 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 118.067 -2.896 . . . . 21.44 112.036 174.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.1 mm -63.63 -46.76 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-O 125.303 2.478 . . . . 20.38 110.807 177.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -60.63 -48.61 81.0 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 118.317 -2.739 . . . . 35.64 109.343 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.5 tp -65.22 -37.4 87.16 Favored 'General case' 0 C--O 1.25 1.116 0 O-C-N 125.337 1.648 . . . . 30.78 113.272 178.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.02 89.53 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-O 117.273 -1.346 . . . . 29.45 112.548 175.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -66.59 -33.85 66.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 122.685 2.493 . . . . 38.79 111.213 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -68.1 -28.01 66.97 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 118.629 0.65 . . . . 52.67 111.89 174.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -88.88 29.73 1.0 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 116.034 1.865 . . . . 63.41 116.034 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -120.96 -25.53 5.35 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 101.676 -3.453 . . . . 67.65 101.676 173.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.247 0 CA-C-O 112.461 -3.638 . . . . 69.83 106.278 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MSE . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 117.143 -1.408 . . . . 46.140000000000001 109.206 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -89.89 -31.68 17.2 Favored 'General case' 0 C--O 1.221 -0.438 0 O-C-N 124.864 1.352 . . . . 42.329999999999998 110.763 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 39.8 mt -78.74 131.9 66.22 Favored Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 115.595 -2.442 . . . . 32.600000000000001 112.878 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -76.56 145.87 26.73 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 123.229 2.62 . . . . 32.740000000000002 110.96 171.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.6 mm -72.61 -32.87 42.93 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.912 0 N-CA-C 119.85 3.278 . . . . 38.560000000000002 119.85 -175.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.416 ' N ' ' CD ' ' A' ' 7' ' ' PRO . . . -67.51 -41.47 31.67 Favored Pre-proline 0 N--CA 1.478 0.948 0 CA-C-O 123.605 1.669 . . . . 31.300000000000001 114.103 -173.553 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' CD ' ' N ' ' A' ' 6' ' ' ALA . 69.9 Cg_exo -58.88 -36.25 97.24 Favored 'Trans proline' 0 C--O 1.222 -0.315 0 O-C-N 117.894 -1.687 . . . . 29.16 111.715 173.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.2 mm -66.74 -40.8 86.87 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 CA-C-N 119.067 0.848 . . . . 26.890000000000001 110.138 178.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.76 -39.26 95.09 Favored Glycine 0 CA--C 1.536 1.368 0 CA-C-N 120.864 1.666 . . . . 25.600000000000001 111.266 173.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.9 mtm180 -66.34 -31.76 72.75 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 120.002 1.901 . . . . 39.890000000000001 110.19 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 63.6 mt -66.59 -39.62 84.31 Favored 'Isoleucine or valine' 0 C--O 1.246 0.902 0 CA-C-O 126.416 3.007 . . . . 20.850000000000001 111.226 176.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 95.6 mt -70.08 -41.59 79.17 Favored 'Isoleucine or valine' 0 C--O 1.246 0.883 0 O-C-N 116.926 -3.608 . . . . 20.149999999999999 110.036 -176.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -60.11 -42.77 95.44 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 114.112 1.153 . . . . 51.670000000000002 114.112 172.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.18 -25.2 68.23 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.871 -1.143 . . . . 30.27 111.481 175.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.92 -4.91 58.75 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 120.664 -1.273 . . . . 23.940000000000001 109.662 175.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.64 -1.83 23.31 Favored Glycine 0 C--N 1.342 0.904 0 CA-C-O 116.15 -2.472 . . . . 25.960000000000001 117.777 176.099 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 142.31 57.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 123.296 3.548 . . . . 27.27 108.579 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -81.0 -38.52 27.38 Favored 'General case' 0 C--N 1.308 -1.224 0 CA-C-O 123.33 1.538 . . . . 44.799999999999997 111.045 176.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.6 ttp180 -141.83 149.78 40.77 Favored 'General case' 0 C--O 1.22 -0.469 0 O-C-N 120.531 -1.355 . . . . 50.409999999999997 110.073 179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.0 t -136.42 127.72 42.93 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.332 0 CA-C-O 117.014 -1.47 . . . . 27.59 107.37 -176.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -81.64 161.0 23.62 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-O 123.082 1.42 . . . . 28.989999999999998 110.753 172.671 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -60.8 -38.06 84.07 Favored 'General case' 0 C--O 1.237 0.413 0 O-C-N 118.514 -2.617 . . . . 44.079999999999998 111.924 177.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.66 -34.34 77.63 Favored 'General case' 0 C--O 1.243 0.715 0 CA-C-O 117.489 -1.243 . . . . 46.539999999999999 113.67 178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.43 -40.53 73.75 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 125.18 1.55 . . . . 25.100000000000001 110.209 176.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -58.19 -50.29 74.05 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 123.709 1.719 . . . . 43.289999999999999 112.621 175.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.2 mt -61.42 -47.75 92.0 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.599 0 O-C-N 117.841 -3.037 . . . . 27.789999999999999 112.077 -179.401 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 61.6 m -59.32 -48.47 81.51 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-O 116.15 -1.881 . . . . 26.489999999999998 114.642 175.134 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 45.2 tp -64.03 -31.0 72.03 Favored 'General case' 0 C--O 1.254 1.336 0 CA-C-N 123.137 2.698 . . . . 17.780000000000001 109.745 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.15 -41.12 86.58 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 118.387 -2.696 . . . . 20.25 110.482 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -64.77 -41.66 95.69 Favored 'General case' 0 C--N 1.355 0.815 0 O-C-N 119.304 -2.122 . . . . 41.75 112.688 177.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 19.3 mt -69.6 -37.58 74.72 Favored 'Isoleucine or valine' 0 C--O 1.263 1.77 0 CA-C-O 122.716 1.246 . . . . 24.600000000000001 111.074 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 75.7 mt -66.96 -40.98 87.64 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 117.928 -2.982 . . . . 22.129999999999999 111.888 177.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -60.4 -44.93 95.22 Favored 'General case' 0 C--N 1.35 0.604 0 O-C-N 121.182 -0.949 . . . . 37.890000000000001 111.121 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -58.67 -50.68 72.98 Favored 'General case' 0 C--N 1.316 -0.855 0 O-C-N 119.489 -2.007 . . . . 41.780000000000001 110.027 175.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' MSE . . . . . 0.632 ' CG ' ' CE ' ' A' ' 35' ' ' MSE . . . -57.32 -44.47 84.21 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 120.384 1.447 . . . . 31.68 109.932 176.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.33 -45.48 74.83 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 125.351 1.453 . . . . 18.120000000000001 112.891 177.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 45.5 mtm-85 -69.56 -41.92 75.23 Favored 'General case' 0 C--O 1.206 -1.207 0 CA-C-O 115.919 -1.991 . . . . 36.880000000000003 109.283 -177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -64.93 -42.06 95.0 Favored 'General case' 0 C--O 1.208 -1.12 0 O-C-N 125.147 1.53 . . . . 31.52 110.761 179.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.5 mt -64.69 -41.8 93.24 Favored 'Isoleucine or valine' 0 C--N 1.346 0.455 0 O-C-N 120.564 -1.335 . . . . 20.780000000000001 112.063 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.55 97.38 Favored 'General case' 0 N--CA 1.45 -0.452 0 O-C-N 117.193 -3.442 . . . . 18.129999999999999 110.264 -179.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -64.03 -38.93 92.86 Favored 'General case' 0 C--O 1.267 1.991 0 O-C-N 120.812 -1.18 . . . . 36.520000000000003 111.53 -179.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 -70.6 -38.92 74.04 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 118.473 -2.642 . . . . 38.280000000000001 110.883 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.62 -36.34 80.47 Favored 'General case' 0 C--O 1.246 0.89 0 O-C-N 119.509 -1.994 . . . . 18.82 111.936 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 17.8 mt -61.29 -46.92 95.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 120.122 -1.611 . . . . 23.370000000000001 109.699 177.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.6 mttp -62.87 -40.22 96.82 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 119.678 -0.809 . . . . 37.890000000000001 110.975 178.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.0 mt -61.98 -45.88 91.68 Favored 'General case' 0 C--O 1.264 1.827 0 C-N-CA 118.601 -1.239 . . . . 29.539999999999999 111.974 178.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.83 -34.23 72.8 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.411 -0.806 . . . . 30.75 110.91 179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.9 ttm105 -66.38 -40.43 89.69 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-O 122.608 1.194 . . . . 54.579999999999998 109.714 -178.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -65.06 -23.66 67.24 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.337 -1.301 . . . . 47.520000000000003 112.882 178.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -97.26 13.31 29.92 Favored 'General case' 0 N--CA 1.438 -1.068 0 O-C-N 120.584 -1.323 . . . . 38.289999999999999 112.291 176.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.01 21.68 73.35 Favored Glycine 0 C--O 1.251 1.206 0 CA-C-N 121.883 2.129 . . . . 39.579999999999998 115.761 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.1 mtm105 -120.76 153.35 37.14 Favored 'General case' 0 C--O 1.215 -0.751 0 N-CA-C 113.578 0.955 . . . . 33.979999999999997 113.578 -174.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 77.2 mttt -103.54 -20.57 13.97 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 107.788 -1.19 . . . . 44.969999999999999 107.788 174.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 87.7 m -87.7 130.22 34.89 Favored 'General case' 0 C--O 1.245 0.823 0 CA-C-O 118.299 -0.858 . . . . 31.149999999999999 110.637 -178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 35.4 mm -83.98 132.69 30.92 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.812 0 N-CA-C 106.145 -1.798 . . . . 26.100000000000001 106.145 177.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 43.7 mtpt -116.03 171.05 8.04 Favored 'General case' 0 C--N 1.314 -0.954 0 O-C-N 120.748 -1.22 . . . . 39.850000000000001 112.03 -178.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.88 -34.19 72.84 Favored 'General case' 0 CA--C 1.509 -0.598 0 CA-C-N 119.606 1.094 . . . . 24.640000000000001 111.354 178.035 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -66.41 -33.0 74.72 Favored 'General case' 0 C--O 1.257 1.473 0 C-N-CA 118.308 -1.357 . . . . 42.630000000000003 114.505 -179.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -63.14 -42.33 99.46 Favored 'General case' 0 C--O 1.244 0.772 0 O-C-N 118.067 -2.896 . . . . 21.440000000000001 112.036 174.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 42.1 mm -63.63 -46.76 93.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 CA-C-O 125.303 2.478 . . . . 20.379999999999999 110.807 177.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -60.63 -48.61 81.0 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 118.317 -2.739 . . . . 35.640000000000001 109.343 -179.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 18.5 tp -65.22 -37.4 87.16 Favored 'General case' 0 C--O 1.25 1.116 0 O-C-N 125.337 1.648 . . . . 30.780000000000001 113.272 178.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -63.41 -38.02 89.53 Favored 'General case' 0 C--N 1.361 1.103 0 CA-C-O 117.273 -1.346 . . . . 29.449999999999999 112.548 175.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -66.59 -33.85 66.16 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.057 0 CA-C-N 122.685 2.493 . . . . 38.789999999999999 111.213 178.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -68.1 -28.01 66.97 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 118.629 0.65 . . . . 52.670000000000002 111.89 174.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 40.5 mtt180 -88.88 29.73 1.0 Allowed 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 116.034 1.865 . . . . 63.409999999999997 116.034 179.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . . . -120.96 -25.53 5.35 Favored 'General case' 0 C--N 1.307 -1.258 0 N-CA-C 101.676 -3.453 . . . . 67.650000000000006 101.676 173.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.253 1.247 0 CA-C-O 112.461 -3.638 . . . . 69.829999999999998 106.278 -179.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_