data_3h0f_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 3h0f _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 ' 84' ' ' VAL . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.516 2.846 0 N-CA-C 109.174 -0.676 . . . . 50.03 109.174 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . 0.298 46.6 m -83.29 128.87 34.87 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-N 120.955 1.707 . . . . 45.59 114.719 13.918 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.0 mp -92.49 129.33 38.45 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 112.562 -2.108 . . . . 37.2 115.416 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -110.44 150.72 28.44 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.444 0.465 . . . . 27.62 111.29 171.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.5 p -110.85 143.43 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 C-N-CA 124.507 1.123 . . . . 20.53 109.16 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.89 126.36 30.9 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.542 -0.91 . . . . 15.98 108.542 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.94 -28.83 25.6 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.904 0.705 . . . . 15.72 112.904 178.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -140.04 166.41 24.72 Favored 'General case' 0 C--O 1.206 -1.22 0 N-CA-C 113.027 0.751 . . . . 22.04 113.027 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.8 145.9 44.65 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.778 0.431 . . . . 25.66 110.812 172.718 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -144.33 133.79 23.32 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 107.689 -1.226 . . . . 14.71 107.689 179.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -114.7 124.99 53.21 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.251 -1.018 . . . . 38.85 108.251 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.98 151.85 38.46 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.191 0.932 . . . . 16.75 112.639 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -147.13 -2.18 0.62 Allowed 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 113.989 1.107 . . . . 20.26 113.989 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . 0.811 ' CG2' ' N ' ' A' ' 98' ' ' GLU . 1.4 m -122.55 -168.9 1.81 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 104.279 -2.489 . . . . 23.44 104.279 -174.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' GLU . . . . . 0.811 ' N ' ' CG2' ' A' ' 97' ' ' THR . 2.4 pt-20 -96.08 -18.62 20.03 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 116.945 2.202 . . . . 41.9 116.945 -179.452 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -110.3 -4.6 15.58 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 118.602 -1.239 . . . . 35.44 112.124 -175.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -84.84 157.35 20.97 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.022 -1.071 . . . . 19.23 112.306 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 tp -111.58 134.02 53.44 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 114.916 -1.038 . . . . 13.94 112.346 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.6 m -79.65 137.14 37.0 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 125.238 1.415 . . . . 11.69 111.555 172.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -156.49 172.48 18.46 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 120.837 -1.164 . . . . 12.37 109.443 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 93.8 m-70 -126.22 165.17 19.43 Favored 'General case' 0 CA--C 1.469 -2.149 0 N-CA-C 108.665 -0.865 . . . . 14.36 108.665 -172.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -56.33 125.28 21.2 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 123.891 0.744 . . . . 37.04 109.114 174.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.11 -18.96 47.75 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 119.837 2.695 . . . . 18.94 119.837 176.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -55.8 145.25 24.93 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 118.735 1.267 . . . . 22.87 109.853 172.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -110.39 154.84 23.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.612 0.72 . . . . 32.93 110.745 173.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -134.91 144.56 47.55 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 114.277 -1.329 . . . . 19.11 110.661 -170.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -95.67 124.84 39.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 103.962 -2.607 . . . . 30.27 103.962 162.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.0 mm -86.11 108.58 17.71 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 N-CA-C 108.564 -0.902 . . . . 26.59 108.564 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.7 mt -79.64 -30.41 41.29 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.725 0.774 . . . . 31.83 112.581 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -154.18 114.74 3.96 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 121.626 -0.672 . . . . 40.79 109.584 -175.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 85.4 p -121.0 40.18 3.62 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 113.105 0.78 . . . . 42.02 113.105 -175.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.4 p -99.89 1.35 42.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 116.093 1.886 . . . . 45.95 116.093 -173.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -109.48 26.08 11.05 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 114.041 1.126 . . . . 57.18 114.041 -175.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.9 -71.72 0.28 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 114.798 0.679 . . . . 42.82 114.798 168.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -41.26 10.86 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.113 1.523 . . . . 39.42 115.113 -179.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -104.31 121.94 44.39 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.245 0.341 . . . . 28.98 110.287 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 54.5 m0 -115.08 143.97 44.37 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.678 0.992 . . . . 22.64 113.678 174.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -80.33 124.78 29.15 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 112.563 0.579 . . . . 30.32 112.563 171.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.02 158.69 42.91 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.954 0.901 . . . . 16.62 109.432 -173.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -121.45 133.01 55.06 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 105.688 -1.967 . . . . 33.66 105.688 166.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.5 t -85.58 124.83 32.58 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 108.447 -0.945 . . . . 14.24 108.447 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.66 -21.01 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.752 1.019 . . . . 13.89 113.752 171.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.2 m -72.86 -54.29 9.17 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.929 1.455 . . . . 12.95 114.929 174.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.1 p -103.23 -8.49 20.34 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.448 -0.783 . . . . 12.59 109.434 -170.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 68.56 32.92 75.5 Favored Glycine 0 C--O 1.202 -1.854 0 CA-C-N 115.438 -0.801 . . . . 15.1 115.07 -176.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 58.2 mt-10 -120.45 161.32 21.45 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 115.29 1.589 . . . . 34.97 115.29 -171.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 96.0 m -126.94 135.4 50.85 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.885 0.741 . . . . 14.54 111.186 -166.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 170.98 -178.37 43.46 Favored Glycine 0 C--O 1.214 -1.13 0 N-CA-C 111.356 -0.698 . . . . 13.01 111.356 175.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -77.39 142.43 39.28 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.404 -0.919 . . . . 30.79 111.493 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 46.6 pt -130.89 154.1 81.86 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 108.523 -0.917 . . . . 15.47 108.523 173.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -80.14 139.36 13.34 Favored 'Trans proline' 0 N--CA 1.443 -1.45 0 C-N-CA 114.534 -3.177 . . . . 16.38 109.662 177.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.2 p -70.0 -20.56 63.28 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 116.791 2.145 . . . . 18.33 116.791 -177.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -84.82 4.93 30.81 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 119.418 -0.913 . . . . 19.67 111.136 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -103.6 -5.88 22.24 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.331 0.652 . . . . 19.34 111.332 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.66 154.08 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 113.467 0.914 . . . . 23.72 113.467 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -131.19 154.12 81.89 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 106.641 -1.614 . . . . 30.75 106.641 173.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.2 147.71 79.31 Favored 'Trans proline' 0 C--N 1.356 0.936 0 O-C-N 122.765 0.876 . . . . 34.4 110.803 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.1 t -66.69 -48.94 78.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 N-CA-C 115.454 1.65 . . . . 43.35 115.454 -168.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 123.674 1.702 . . . . 50.44 112.715 -175.758 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' PG5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 84' ' ' VAL . . . . . 0.947 HG12 ' HA ' ' A' ' 85' ' ' THR . 1.5 t . . . . . 0 N--CA 1.516 2.846 0 N-CA-C 109.174 -0.676 . . . . 50.030000000000001 109.174 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . 0.947 ' HA ' HG12 ' A' ' 84' ' ' VAL 0.298 46.6 m -83.29 128.87 34.87 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-N 120.955 1.707 . . . . 45.590000000000003 114.719 13.918 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 84' ' ' VAL . 5.0 mp -92.49 129.33 38.45 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 112.562 -2.108 . . . . 37.200000000000003 115.416 -179.179 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -110.44 150.72 28.44 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.444 0.465 . . . . 27.620000000000001 111.29 171.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.5 p -110.85 143.43 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 C-N-CA 124.507 1.123 . . . . 20.530000000000001 109.16 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.89 126.36 30.9 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.542 -0.91 . . . . 15.98 108.542 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.94 -28.83 25.6 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.904 0.705 . . . . 15.720000000000001 112.904 178.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -140.04 166.41 24.72 Favored 'General case' 0 C--O 1.206 -1.22 0 N-CA-C 113.027 0.751 . . . . 22.039999999999999 113.027 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.8 145.9 44.65 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.778 0.431 . . . . 25.66 110.812 172.718 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -144.33 133.79 23.32 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 107.689 -1.226 . . . . 14.710000000000001 107.689 179.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -114.7 124.99 53.21 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.251 -1.018 . . . . 38.850000000000001 108.251 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.98 151.85 38.46 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.191 0.932 . . . . 16.75 112.639 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -147.13 -2.18 0.62 Allowed 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 113.989 1.107 . . . . 20.260000000000002 113.989 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . 0.941 HG22 ' N ' ' A' ' 98' ' ' GLU . 1.4 m -122.55 -168.9 1.81 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 104.279 -2.489 . . . . 23.440000000000001 104.279 -174.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' GLU . . . . . 0.941 ' N ' HG22 ' A' ' 97' ' ' THR . 2.4 pt-20 -96.08 -18.62 20.03 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 116.945 2.202 . . . . 41.899999999999999 116.945 -179.452 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASP . . . . . 0.416 ' H ' HG22 ' A' ' 97' ' ' THR . 67.1 m-20 -110.3 -4.6 15.58 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 118.602 -1.239 . . . . 35.439999999999998 112.124 -175.263 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -84.84 157.35 20.97 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.022 -1.071 . . . . 19.23 112.306 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 tp -111.58 134.02 53.44 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 114.916 -1.038 . . . . 13.94 112.346 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.6 m -79.65 137.14 37.0 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 125.238 1.415 . . . . 11.69 111.555 172.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -156.49 172.48 18.46 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 120.837 -1.164 . . . . 12.369999999999999 109.443 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HIS . . . . . 0.424 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 93.8 m-70 -126.22 165.17 19.43 Favored 'General case' 0 CA--C 1.469 -2.149 0 N-CA-C 108.665 -0.865 . . . . 14.359999999999999 108.665 -172.74 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -56.33 125.28 21.2 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 123.891 0.744 . . . . 37.039999999999999 109.114 174.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.11 -18.96 47.75 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 119.837 2.695 . . . . 18.940000000000001 119.837 176.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 104' ' ' HIS . 6.5 mt-10 -55.8 145.25 24.93 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 118.735 1.267 . . . . 22.870000000000001 109.853 172.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -110.39 154.84 23.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.612 0.72 . . . . 32.93 110.745 173.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -134.91 144.56 47.55 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 114.277 -1.329 . . . . 19.109999999999999 110.661 -170.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -95.67 124.84 39.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 103.962 -2.607 . . . . 30.27 103.962 162.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.0 mm -86.11 108.58 17.71 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 N-CA-C 108.564 -0.902 . . . . 26.59 108.564 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.7 mt -79.64 -30.41 41.29 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.725 0.774 . . . . 31.829999999999998 112.581 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -154.18 114.74 3.96 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 121.626 -0.672 . . . . 40.789999999999999 109.584 -175.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 85.4 p -121.0 40.18 3.62 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 113.105 0.78 . . . . 42.020000000000003 113.105 -175.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.4 p -99.89 1.35 42.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 116.093 1.886 . . . . 45.950000000000003 116.093 -173.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -109.48 26.08 11.05 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 114.041 1.126 . . . . 57.18 114.041 -175.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.9 -71.72 0.28 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 114.798 0.679 . . . . 42.82 114.798 168.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -41.26 10.86 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.113 1.523 . . . . 39.420000000000002 115.113 -179.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -104.31 121.94 44.39 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.245 0.341 . . . . 28.98 110.287 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 54.5 m0 -115.08 143.97 44.37 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.678 0.992 . . . . 22.640000000000001 113.678 174.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -80.33 124.78 29.15 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 112.563 0.579 . . . . 30.32 112.563 171.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.02 158.69 42.91 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.954 0.901 . . . . 16.620000000000001 109.432 -173.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 129' ' ' GLU . 5.1 ttm-85 -121.45 133.01 55.06 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 105.688 -1.967 . . . . 33.659999999999997 105.688 166.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.5 t -85.58 124.83 32.58 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 108.447 -0.945 . . . . 14.24 108.447 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.66 -21.01 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.752 1.019 . . . . 13.890000000000001 113.752 171.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.2 m -72.86 -54.29 9.17 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.929 1.455 . . . . 12.949999999999999 114.929 174.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.1 p -103.23 -8.49 20.34 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.448 -0.783 . . . . 12.59 109.434 -170.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 68.56 32.92 75.5 Favored Glycine 0 C--O 1.202 -1.854 0 CA-C-N 115.438 -0.801 . . . . 15.1 115.07 -176.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 58.2 mt-10 -120.45 161.32 21.45 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 115.29 1.589 . . . . 34.969999999999999 115.29 -171.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 96.0 m -126.94 135.4 50.85 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.885 0.741 . . . . 14.539999999999999 111.186 -166.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 170.98 -178.37 43.46 Favored Glycine 0 C--O 1.214 -1.13 0 N-CA-C 111.356 -0.698 . . . . 13.01 111.356 175.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -77.39 142.43 39.28 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.404 -0.919 . . . . 30.789999999999999 111.493 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 46.6 pt -130.89 154.1 81.86 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 108.523 -0.917 . . . . 15.470000000000001 108.523 173.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -80.14 139.36 13.34 Favored 'Trans proline' 0 N--CA 1.443 -1.45 0 C-N-CA 114.534 -3.177 . . . . 16.379999999999999 109.662 177.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.2 p -70.0 -20.56 63.28 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 116.791 2.145 . . . . 18.329999999999998 116.791 -177.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -84.82 4.93 30.81 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 119.418 -0.913 . . . . 19.670000000000002 111.136 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -103.6 -5.88 22.24 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.331 0.652 . . . . 19.34 111.332 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.66 154.08 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 113.467 0.914 . . . . 23.719999999999999 113.467 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -131.19 154.12 81.89 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 106.641 -1.614 . . . . 30.75 106.641 173.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.2 147.71 79.31 Favored 'Trans proline' 0 C--N 1.356 0.936 0 O-C-N 122.765 0.876 . . . . 34.399999999999999 110.803 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.1 t -66.69 -48.94 78.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 N-CA-C 115.454 1.65 . . . . 43.350000000000001 115.454 -168.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 123.674 1.702 . . . . 50.439999999999998 112.715 -175.758 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PG5 . . . . . 0.449 ' H31' ' H52' ' A' ' 1' ' ' PG5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' HOH . . . . . 0.45 ' O ' HG23 ' A' ' 97' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.947 HG12 ' HA ' ' A' ' 85' ' ' THR . 1.5 t . . . . . 0 N--CA 1.516 2.846 0 N-CA-C 109.174 -0.676 . . . . 50.030000000000001 109.174 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . 0.947 ' HA ' HG12 ' A' ' 84' ' ' VAL 0.298 46.6 m -83.29 128.87 34.87 Favored 'General case' 0 C--O 1.253 1.24 0 CA-C-N 120.955 1.707 . . . . 45.590000000000003 114.719 13.918 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.44 HD13 ' HA ' ' A' ' 84' ' ' VAL . 5.0 mp -92.49 129.33 38.45 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 112.562 -2.108 . . . . 37.200000000000003 115.416 -179.179 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -110.44 150.72 28.44 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.444 0.465 . . . . 27.620000000000001 111.29 171.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 11.5 p -110.85 143.43 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 C-N-CA 124.507 1.123 . . . . 20.530000000000001 109.16 178.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.89 126.36 30.9 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 108.542 -0.91 . . . . 15.98 108.542 178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.94 -28.83 25.6 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 112.904 0.705 . . . . 15.720000000000001 112.904 178.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -140.04 166.41 24.72 Favored 'General case' 0 C--O 1.206 -1.22 0 N-CA-C 113.027 0.751 . . . . 22.039999999999999 113.027 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.8 145.9 44.65 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.778 0.431 . . . . 25.66 110.812 172.718 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -144.33 133.79 23.32 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 107.689 -1.226 . . . . 14.710000000000001 107.689 179.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -114.7 124.99 53.21 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 108.251 -1.018 . . . . 38.850000000000001 108.251 -179.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.98 151.85 38.46 Favored 'General case' 0 CA--C 1.545 0.762 0 O-C-N 124.191 0.932 . . . . 16.75 112.639 -179.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 18.1 p-90 -147.13 -2.18 0.62 Allowed 'General case' 0 C--O 1.213 -0.824 0 N-CA-C 113.989 1.107 . . . . 20.260000000000002 113.989 179.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . 0.941 HG22 ' N ' ' A' ' 98' ' ' GLU . 1.4 m -122.55 -168.9 1.81 Allowed 'General case' 0 CA--C 1.506 -0.728 0 N-CA-C 104.279 -2.489 . . . . 23.440000000000001 104.279 -174.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.941 ' N ' HG22 ' A' ' 97' ' ' THR . 2.4 pt-20 -96.08 -18.62 20.03 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 116.945 2.202 . . . . 41.899999999999999 116.945 -179.452 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.416 ' H ' HG22 ' A' ' 97' ' ' THR . 67.1 m-20 -110.3 -4.6 15.58 Favored 'General case' 0 N--CA 1.433 -1.3 0 C-N-CA 118.602 -1.239 . . . . 35.439999999999998 112.124 -175.263 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.3 p-10 -84.84 157.35 20.97 Favored 'General case' 0 N--CA 1.441 -0.903 0 C-N-CA 119.022 -1.071 . . . . 19.23 112.306 -178.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 38.9 tp -111.58 134.02 53.44 Favored 'General case' 0 CA--C 1.556 1.179 0 CA-C-N 114.916 -1.038 . . . . 13.94 112.346 179.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 71.6 m -79.65 137.14 37.0 Favored 'General case' 0 C--O 1.211 -0.96 0 C-N-CA 125.238 1.415 . . . . 11.69 111.555 172.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 24.7 p90 -156.49 172.48 18.46 Favored 'General case' 0 C--N 1.316 -0.866 0 O-C-N 120.837 -1.164 . . . . 12.369999999999999 109.443 -177.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.424 ' H ' ' HG3' ' A' ' 107' ' ' GLU . 93.8 m-70 -126.22 165.17 19.43 Favored 'General case' 0 CA--C 1.469 -2.149 0 N-CA-C 108.665 -0.865 . . . . 14.359999999999999 108.665 -172.74 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -56.33 125.28 21.2 Favored 'General case' 0 C--O 1.258 1.51 0 O-C-N 123.891 0.744 . . . . 37.039999999999999 109.114 174.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.11 -18.96 47.75 Favored Glycine 0 CA--C 1.532 1.135 0 N-CA-C 119.837 2.695 . . . . 18.940000000000001 119.837 176.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.424 ' HG3' ' H ' ' A' ' 104' ' ' HIS . 6.5 mt-10 -55.8 145.25 24.93 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 118.735 1.267 . . . . 22.870000000000001 109.853 172.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -110.39 154.84 23.0 Favored 'General case' 0 N--CA 1.447 -0.591 0 CA-C-O 121.612 0.72 . . . . 32.93 110.745 173.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -134.91 144.56 47.55 Favored 'General case' 0 CA--C 1.497 -1.071 0 CA-C-N 114.277 -1.329 . . . . 19.109999999999999 110.661 -170.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -95.67 124.84 39.88 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 103.962 -2.607 . . . . 30.27 103.962 162.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ILE . . . . . . . . . . . . . 32.0 mm -86.11 108.58 17.71 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.96 0 N-CA-C 108.564 -0.902 . . . . 26.59 108.564 179.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 14.7 mt -79.64 -30.41 41.29 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 121.725 0.774 . . . . 31.829999999999998 112.581 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -154.18 114.74 3.96 Favored 'General case' 0 N--CA 1.44 -0.96 0 O-C-N 121.626 -0.672 . . . . 40.789999999999999 109.584 -175.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 85.4 p -121.0 40.18 3.62 Favored 'General case' 0 C--O 1.242 0.69 0 N-CA-C 113.105 0.78 . . . . 42.020000000000003 113.105 -175.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 17.4 p -99.89 1.35 42.76 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 116.093 1.886 . . . . 45.950000000000003 116.093 -173.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -109.48 26.08 11.05 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 114.041 1.126 . . . . 57.18 114.041 -175.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 67.9 -71.72 0.28 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 114.798 0.679 . . . . 42.82 114.798 168.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -91.61 -41.26 10.86 Favored 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 115.113 1.523 . . . . 39.420000000000002 115.113 -179.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' TRP . . . . . . . . . . . . . 95.3 m95 -104.31 121.94 44.39 Favored 'General case' 0 C--O 1.214 -0.792 0 O-C-N 123.245 0.341 . . . . 28.98 110.287 -179.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' TRP . . . . . . . . . . . . . 54.5 m0 -115.08 143.97 44.37 Favored 'General case' 0 CA--C 1.513 -0.454 0 N-CA-C 113.678 0.992 . . . . 22.640000000000001 113.678 174.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -80.33 124.78 29.15 Favored 'General case' 0 C--O 1.213 -0.834 0 N-CA-C 112.563 0.579 . . . . 30.32 112.563 171.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -134.02 158.69 42.91 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.954 0.901 . . . . 16.620000000000001 109.432 -173.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.419 ' HA ' ' O ' ' A' ' 129' ' ' GLU . 5.1 ttm-85 -121.45 133.01 55.06 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 105.688 -1.967 . . . . 33.659999999999997 105.688 166.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 11.5 t -85.58 124.83 32.58 Favored 'General case' 0 N--CA 1.441 -0.923 0 N-CA-C 108.447 -0.945 . . . . 14.24 108.447 179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 32.4 mt -67.66 -21.01 65.38 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 113.752 1.019 . . . . 13.890000000000001 113.752 171.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 49.2 m -72.86 -54.29 9.17 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 114.929 1.455 . . . . 12.949999999999999 114.929 174.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 30.1 p -103.23 -8.49 20.34 Favored 'General case' 0 C--O 1.244 0.774 0 O-C-N 121.448 -0.783 . . . . 12.59 109.434 -170.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 68.56 32.92 75.5 Favored Glycine 0 C--O 1.202 -1.854 0 CA-C-N 115.438 -0.801 . . . . 15.1 115.07 -176.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 123' ' ' ARG . 58.2 mt-10 -120.45 161.32 21.45 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 115.29 1.589 . . . . 34.969999999999999 115.29 -171.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 96.0 m -126.94 135.4 50.85 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.885 0.741 . . . . 14.539999999999999 111.186 -166.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . 170.98 -178.37 43.46 Favored Glycine 0 C--O 1.214 -1.13 0 N-CA-C 111.356 -0.698 . . . . 13.01 111.356 175.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -77.39 142.43 39.28 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 119.404 -0.919 . . . . 30.789999999999999 111.493 -179.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 46.6 pt -130.89 154.1 81.86 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 108.523 -0.917 . . . . 15.470000000000001 108.523 173.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' PRO . . . . . . . . . . . . . 34.3 Cg_endo -80.14 139.36 13.34 Favored 'Trans proline' 0 N--CA 1.443 -1.45 0 C-N-CA 114.534 -3.177 . . . . 16.379999999999999 109.662 177.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.2 p -70.0 -20.56 63.28 Favored 'General case' 0 CA--C 1.537 0.46 0 N-CA-C 116.791 2.145 . . . . 18.329999999999998 116.791 -177.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 15.6 p-10 -84.82 4.93 30.81 Favored 'General case' 0 CA--C 1.512 -0.487 0 C-N-CA 119.418 -0.913 . . . . 19.670000000000002 111.136 -179.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -103.6 -5.88 22.24 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 123.331 0.652 . . . . 19.34 111.332 -177.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' VAL . . . . . . . . . . . . . 32.5 m -122.66 154.08 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.126 0 N-CA-C 113.467 0.914 . . . . 23.719999999999999 113.467 177.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -131.19 154.12 81.89 Favored Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 106.641 -1.614 . . . . 30.75 106.641 173.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -67.2 147.71 79.31 Favored 'Trans proline' 0 C--N 1.356 0.936 0 O-C-N 122.765 0.876 . . . . 34.399999999999999 110.803 176.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.1 t -66.69 -48.94 78.61 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.546 0 N-CA-C 115.454 1.65 . . . . 43.350000000000001 115.454 -168.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 N--CA 1.499 2.006 0 CA-C-O 123.674 1.702 . . . . 50.439999999999998 112.715 -175.758 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PG5 . . . . . 0.449 ' H31' ' H52' ' A' ' 1' ' ' PG5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' HOH . . . . . 0.45 ' O ' HG23 ' A' ' 97' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_