data_1qr8_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 1qr8 _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' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 120.885 0.374 . . . . 89.950000000000003 111.79 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.68 -82.69 1.63 Allowed Glycine 0 C--N 1.331 0.288 0 N-CA-C 109.541 -1.424 . . . . 89.620000000000005 109.541 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 mp -71.1 -25.68 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.669 -0.863 . . . . 87.560000000000002 108.669 179.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.82 -32.33 23.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.537 0.94 . . . . 83.120000000000005 113.537 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.72 -8.53 52.85 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.852 -0.795 . . . . 80.040000000000006 108.852 179.879 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.79 -39.78 11.03 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.786 -0.643 . . . . 76.510000000000005 110.378 -179.975 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.91 -11.13 60.63 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.262 -0.881 . . . . 63.520000000000003 110.376 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -86.41 -40.26 15.55 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 106.726 -1.583 . . . . 61.869999999999997 106.726 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.84 -43.4 79.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.205 -0.907 . . . . 53.479999999999997 109.282 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.35 -36.95 81.59 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.213 -0.662 . . . . 43.549999999999997 109.213 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.3 tp -72.69 -38.35 67.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.379 -0.373 . . . . 38.979999999999997 110.793 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -65.16 -38.04 89.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.982 -0.748 . . . . 54.130000000000003 108.982 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.72 -35.6 80.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.38 -0.373 . . . . 31.59 111.561 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.96 -40.95 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.309 -0.626 . . . . 31.170000000000002 109.309 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.09 -37.7 88.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.615 -0.72 . . . . 42.07 110.875 179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.54 -35.83 60.61 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.249 0.343 . . . . 31.530000000000001 111.032 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -62.16 -37.52 85.53 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 107.858 -1.164 . . . . 36.280000000000001 107.858 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.34 -32.72 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.684 -0.689 . . . . 31.32 110.313 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -72.44 -31.96 65.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.769 -0.826 . . . . 45.039999999999999 108.769 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -36.07 65.66 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.315 -0.994 . . . . 32.259999999999998 108.315 178.89 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -43.02 90.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.711 -0.677 . . . . 30.649999999999999 110.9 179.799 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -71.67 -22.51 61.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.384 . . . . 42.009999999999998 111.162 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -75.53 -39.51 58.22 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.948 -0.389 . . . . 29.079999999999998 109.948 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.7 p -71.65 -31.12 66.5 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.544 -0.298 . . . . 28.140000000000001 111.758 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.7 -37.06 73.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.208 -0.664 . . . . 26.760000000000002 109.208 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -66.69 -40.1 88.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.598 -1.26 . . . . 50.729999999999997 107.598 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.73 -39.81 96.95 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.42 -0.895 . . . . 29.460000000000001 111.086 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.12 -43.03 88.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.405 -0.591 . . . . 28.649999999999999 109.405 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.71 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.636 0.976 . . . . 35.25 113.636 -179.75 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.53 -22.1 62.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.872 0.368 . . . . 56.57 110.089 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.5 -37.61 36.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 49.549999999999997 111.342 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLN . . . . . 0.41 ' NE2' ' NH1' ' A' ' 38' ' ' ARG . 15.2 mt-30 -71.87 -42.79 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.994 -1.114 . . . . 55.479999999999997 107.994 178.903 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.07 -61.84 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 67.109999999999999 112.642 -179.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.97 68.95 3.21 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.289 0.566 . . . . 86.950000000000003 111.806 -179.546 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 99.3 p 169.39 30.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.241 -1.762 . . . . 82.569999999999993 106.241 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.79 -123.3 6.0 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.196 -0.911 . . . . 81.019999999999996 111.438 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 28.5 -151.0 0.0 OUTLIER Glycine 0 CA--C 1.52 0.363 0 N-CA-C 119.246 2.458 . . . . 78.689999999999998 119.246 179.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . 0.475 ' N ' ' CE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER 81.03 -1.82 1.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.381 1.072 . . . . 72.450000000000003 110.706 -179.459 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.34 -33.66 4.77 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 109.774 -1.33 . . . . 65.239999999999995 109.774 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.26 -0.81 76.34 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.69 -0.767 . . . . 56.829999999999998 111.398 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' TRP . . . . . 0.475 ' CE3' ' N ' ' A' ' 38' ' ' ARG . 1.2 m-90 -97.67 11.78 35.89 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.647 0.261 . . . . 48.299999999999997 111.364 -179.926 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.7 mmt -58.27 -44.02 88.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.225 0.454 . . . . 57.840000000000003 112.225 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' OE2' ' NH1' ' A' ' 46' ' ' ARG . 34.9 tp10 -68.64 -35.38 77.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 33.280000000000001 110.961 -179.933 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -62.94 -43.89 97.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.425 -0.583 . . . . 28.690000000000001 109.425 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.0 -42.63 99.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.631 -0.713 . . . . 31.800000000000001 110.194 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' NH1' ' OE2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -56.93 -46.36 82.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 43.950000000000003 111.775 -179.774 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -65.4 -40.57 93.58 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.243 -0.435 . . . . 40.799999999999997 110.858 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mm -62.95 -48.15 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.837 -0.431 . . . . 29.609999999999999 109.837 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -57.98 -49.14 77.83 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.25 -0.432 . . . . 34.170000000000002 110.354 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -58.27 -42.28 86.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.611 0.967 . . . . 32.0 113.611 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -74.85 -29.11 60.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 39.009999999999998 111.981 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.5 m -72.13 -35.33 69.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.614 -1.254 . . . . 27.460000000000001 107.614 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -41.12 85.28 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.726 -0.67 . . . . 34.380000000000003 110.588 179.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mp -64.4 -39.97 94.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.386 -0.37 . . . . 36.200000000000003 110.573 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.2 mt -68.25 -45.12 83.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 111.921 0.341 . . . . 36.950000000000003 111.921 -179.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -57.79 -38.96 76.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.082 -0.71 . . . . 46.469999999999999 109.082 179.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 m -67.38 -39.82 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 34.82 110.229 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -41.53 87.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 37.75 110.878 -180.0 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.35 -43.15 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 44.630000000000003 111.238 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.81 -43.1 99.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.629 0.603 . . . . 60.420000000000002 112.629 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -72.29 -21.45 61.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.883 0.373 . . . . 62.450000000000003 111.792 -179.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -83.33 -37.26 23.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.313 -0.625 . . . . 68.769999999999996 109.313 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -65.56 -41.18 93.24 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.835 -1.543 . . . . 75.189999999999998 106.835 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -48.85 -94.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.388 1.255 . . . . 85.120000000000005 114.388 -179.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -77.11 50.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 116.505 2.039 . . . . 90.650000000000006 116.505 -178.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.53 -17.96 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 102.74 -3.059 . . . . 96.670000000000002 102.74 176.981 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.24 -19.48 53.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.609 -1.178 . . . . 99.849999999999994 110.518 179.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.927 -1.035 . . . . 100.0 109.965 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 120.885 0.374 . . . . 89.950000000000003 111.79 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.68 -82.69 1.63 Allowed Glycine 0 C--N 1.331 0.288 0 N-CA-C 109.541 -1.424 . . . . 89.620000000000005 109.541 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 mp -71.1 -25.68 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.669 -0.863 . . . . 87.560000000000002 108.669 179.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.82 -32.33 23.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.537 0.94 . . . . 83.120000000000005 113.537 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -70.72 -8.53 52.85 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.852 -0.795 . . . . 80.040000000000006 108.852 179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.79 -39.78 11.03 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.786 -0.643 . . . . 76.510000000000005 110.378 -179.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -69.91 -11.13 60.63 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.262 -0.881 . . . . 63.520000000000003 110.376 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -86.41 -40.26 15.55 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 106.726 -1.583 . . . . 61.869999999999997 106.726 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.84 -43.4 79.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.205 -0.907 . . . . 53.479999999999997 109.282 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.35 -36.95 81.59 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.213 -0.662 . . . . 43.549999999999997 109.213 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 23.3 tp -72.69 -38.35 67.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.379 -0.373 . . . . 38.979999999999997 110.793 179.283 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -65.16 -38.04 89.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.982 -0.748 . . . . 54.130000000000003 108.982 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . 0.555 ' O ' ' HG3' ' A' ' 17' ' ' GLN . . . -66.72 -35.6 80.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.38 -0.373 . . . . 31.59 111.561 179.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.96 -40.95 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.309 -0.626 . . . . 31.170000000000002 109.309 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 95.9 mt-10 -63.09 -37.7 88.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.615 -0.72 . . . . 42.07 110.875 179.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.54 -35.83 60.61 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.249 0.343 . . . . 31.530000000000001 111.032 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 9.1 mt-30 -62.16 -37.52 85.53 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 107.858 -1.164 . . . . 36.280000000000001 107.858 178.833 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 51.3 tp60 -63.34 -32.72 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.684 -0.689 . . . . 31.32 110.313 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -72.44 -31.96 65.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.769 -0.826 . . . . 45.039999999999999 108.769 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -36.07 65.66 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.315 -0.994 . . . . 32.259999999999998 108.315 178.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -43.02 90.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.711 -0.677 . . . . 30.649999999999999 110.9 179.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -71.67 -22.51 61.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.384 . . . . 42.009999999999998 111.162 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -75.53 -39.51 58.22 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.948 -0.389 . . . . 29.079999999999998 109.948 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.7 p -71.65 -31.12 66.5 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.544 -0.298 . . . . 28.140000000000001 111.758 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.7 -37.06 73.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.208 -0.664 . . . . 26.760000000000002 109.208 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -66.69 -40.1 88.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.598 -1.26 . . . . 50.729999999999997 107.598 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.73 -39.81 96.95 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.42 -0.895 . . . . 29.460000000000001 111.086 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.12 -43.03 88.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.405 -0.591 . . . . 28.649999999999999 109.405 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.71 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.636 0.976 . . . . 35.25 113.636 -179.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -70.53 -22.1 62.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.872 0.368 . . . . 56.57 110.089 179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.5 -37.61 36.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 49.549999999999997 111.342 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HB3' ' CZ3' ' A' ' 41' ' ' TRP . 82.6 mt-30 -71.87 -42.79 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.994 -1.114 . . . . 55.479999999999997 107.994 178.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . . . -52.07 -61.84 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 67.109999999999999 112.642 -179.859 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 35' ' ' SER . 0.0 OUTLIER -76.97 68.95 3.21 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.289 0.566 . . . . 86.950000000000003 111.806 -179.546 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 34' ' ' ARG . 99.3 p 169.39 30.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.241 -1.762 . . . . 82.569999999999993 106.241 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.79 -123.3 6.0 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.196 -0.911 . . . . 81.019999999999996 111.438 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . 0.61 ' O ' ' HB2' ' A' ' 38' ' ' ARG . . . 28.5 -151.0 0.0 OUTLIER Glycine 0 CA--C 1.52 0.363 0 N-CA-C 119.246 2.458 . . . . 78.689999999999998 119.246 179.291 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . 0.673 ' H ' ' HE3' ' A' ' 41' ' ' TRP . 0.0 OUTLIER 81.03 -1.82 1.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.381 1.072 . . . . 72.450000000000003 110.706 -179.459 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.34 -33.66 4.77 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 109.774 -1.33 . . . . 65.239999999999995 109.774 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.26 -0.81 76.34 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.69 -0.767 . . . . 56.829999999999998 111.398 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' TRP . . . . . 0.673 ' HE3' ' H ' ' A' ' 38' ' ' ARG . 1.2 m-90 -97.67 11.78 35.89 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.647 0.261 . . . . 48.299999999999997 111.364 -179.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.7 mmt -58.27 -44.02 88.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.225 0.454 . . . . 57.840000000000003 112.225 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' OE2' ' NH1' ' A' ' 46' ' ' ARG . 34.9 tp10 -68.64 -35.38 77.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 33.280000000000001 110.961 -179.933 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -62.94 -43.89 97.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.425 -0.583 . . . . 28.690000000000001 109.425 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.0 -42.63 99.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.631 -0.713 . . . . 31.800000000000001 110.194 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' NH1' ' OE2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -56.93 -46.36 82.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 43.950000000000003 111.775 -179.774 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -65.4 -40.57 93.58 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.243 -0.435 . . . . 40.799999999999997 110.858 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mm -62.95 -48.15 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.837 -0.431 . . . . 29.609999999999999 109.837 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -57.98 -49.14 77.83 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.25 -0.432 . . . . 34.170000000000002 110.354 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . 0.478 ' O ' HD13 ' A' ' 54' ' ' LEU . 49.2 m-20 -58.27 -42.28 86.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.611 0.967 . . . . 32.0 113.611 -179.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 55' ' ' ILE . 17.9 m-85 -74.85 -29.11 60.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 39.009999999999998 111.981 -179.728 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.5 m -72.13 -35.33 69.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.614 -1.254 . . . . 27.460000000000001 107.614 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -41.12 85.28 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.726 -0.67 . . . . 34.380000000000003 110.588 179.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 50' ' ' ASN . 3.2 mp -64.4 -39.97 94.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.386 -0.37 . . . . 36.200000000000003 110.573 -179.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 51' ' ' TYR . 51.2 mt -68.25 -45.12 83.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 111.921 0.341 . . . . 36.950000000000003 111.921 -179.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HIS . . . . . 0.599 ' HE1' ' O ' ' A' ' 107' ' ' HOH . 37.6 m170 -57.79 -38.96 76.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.082 -0.71 . . . . 46.469999999999999 109.082 179.581 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 m -67.38 -39.82 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 34.82 110.229 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -41.53 87.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 37.75 110.878 -180.0 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.35 -43.15 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 44.630000000000003 111.238 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.81 -43.1 99.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.629 0.603 . . . . 60.420000000000002 112.629 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -72.29 -21.45 61.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.883 0.373 . . . . 62.450000000000003 111.792 -179.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -83.33 -37.26 23.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.313 -0.625 . . . . 68.769999999999996 109.313 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -65.56 -41.18 93.24 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.835 -1.543 . . . . 75.189999999999998 106.835 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -48.85 -94.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.388 1.255 . . . . 85.120000000000005 114.388 -179.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.11 50.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 116.505 2.039 . . . . 90.650000000000006 116.505 -178.141 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -109.53 -17.96 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 102.74 -3.059 . . . . 96.670000000000002 102.74 176.981 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.24 -19.48 53.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.609 -1.178 . . . . 99.849999999999994 110.518 179.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.927 -1.035 . . . . 100.0 109.965 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 107' ' ' HOH . . . . . 0.599 ' O ' ' HE1' ' A' ' 56' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.43 ' O ' ' HB3' ' A' ' 56' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 120.885 0.374 . . . . 89.950000000000003 111.79 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.68 -82.69 1.63 Allowed Glycine 0 C--N 1.331 0.288 0 N-CA-C 109.541 -1.424 . . . . 89.620000000000005 109.541 -179.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 mp -71.1 -25.68 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.669 -0.863 . . . . 87.560000000000002 108.669 179.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.8 t -75.82 -32.33 23.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 113.537 0.94 . . . . 83.120000000000005 113.537 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.607 HE21 ' HA ' ' A' ' 5' ' ' GLN . 0.9 OUTLIER -70.72 -8.53 52.85 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 108.852 -0.795 . . . . 80.040000000000006 108.852 179.879 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.79 -39.78 11.03 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.786 -0.643 . . . . 76.510000000000005 110.378 -179.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -69.91 -11.13 60.63 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.262 -0.881 . . . . 63.520000000000003 110.376 -179.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -86.41 -40.26 15.55 Favored 'General case' 0 CA--C 1.517 -0.314 0 N-CA-C 106.726 -1.583 . . . . 61.869999999999997 106.726 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.84 -43.4 79.6 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.205 -0.907 . . . . 53.479999999999997 109.282 179.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.8 mt -61.35 -36.95 81.59 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.213 -0.662 . . . . 43.549999999999997 109.213 179.897 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.427 ' O ' ' HG3' ' A' ' 15' ' ' GLU . 23.3 tp -72.69 -38.35 67.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.379 -0.373 . . . . 38.979999999999997 110.793 179.283 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 68.5 mtp85 -65.16 -38.04 89.29 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 108.982 -0.748 . . . . 54.130000000000003 108.982 179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.555 ' O ' ' HG3' ' A' ' 17' ' ' GLN . . . -66.72 -35.6 80.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.38 -0.373 . . . . 31.59 111.561 179.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.3 mt -70.96 -40.95 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 N-CA-C 109.309 -0.626 . . . . 31.170000000000002 109.309 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 11' ' ' LEU . 95.9 mt-10 -63.09 -37.7 88.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.615 -0.72 . . . . 42.07 110.875 179.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.54 -35.83 60.61 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.249 0.343 . . . . 31.530000000000001 111.032 -179.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.555 ' HG3' ' O ' ' A' ' 13' ' ' ALA . 9.1 mt-30 -62.16 -37.52 85.53 Favored 'General case' 0 C--N 1.333 -0.133 0 N-CA-C 107.858 -1.164 . . . . 36.280000000000001 107.858 178.833 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -63.34 -32.72 74.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.684 -0.689 . . . . 31.32 110.313 179.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.4 m170 -72.44 -31.96 65.89 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.769 -0.826 . . . . 45.039999999999999 108.769 179.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.52 -36.07 65.66 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.315 -0.994 . . . . 32.259999999999998 108.315 178.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.71 -43.02 90.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.711 -0.677 . . . . 30.649999999999999 110.9 179.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.593 HE22 ' HE1' ' A' ' 56' ' ' HIS . 25.9 mt-30 -71.67 -22.51 61.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.356 -0.384 . . . . 42.009999999999998 111.162 179.757 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -75.53 -39.51 58.22 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.948 -0.389 . . . . 29.079999999999998 109.948 178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 74.7 p -71.65 -31.12 66.5 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.544 -0.298 . . . . 28.140000000000001 111.758 -179.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 43.9 t -69.7 -37.06 73.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 N-CA-C 109.208 -0.664 . . . . 26.760000000000002 109.208 179.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.5 ttp180 -66.69 -40.1 88.38 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.598 -1.26 . . . . 50.729999999999997 107.598 178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -64.73 -39.81 96.95 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.42 -0.895 . . . . 29.460000000000001 111.086 179.806 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 75.1 mt -67.12 -43.03 88.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 N-CA-C 109.405 -0.591 . . . . 28.649999999999999 109.405 179.816 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.92 -42.71 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 113.636 0.976 . . . . 35.25 113.636 -179.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.416 HE21 HH22 ' A' ' 34' ' ' ARG . 34.4 tt0 -70.53 -22.1 62.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.872 0.368 . . . . 56.57 110.089 179.607 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 12.9 mt -79.5 -37.61 36.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 49.549999999999997 111.342 179.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.885 HE22 HH11 ' A' ' 38' ' ' ARG . 15.2 mt-30 -71.87 -42.79 66.43 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 107.994 -1.114 . . . . 55.479999999999997 107.994 178.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.442 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . . . -52.07 -61.84 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 67.109999999999999 112.642 -179.859 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.416 HH22 HE21 ' A' ' 30' ' ' GLN . 0.0 OUTLIER -76.97 68.95 3.21 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-O 121.289 0.566 . . . . 86.950000000000003 111.806 -179.546 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 34' ' ' ARG . 99.3 p 169.39 30.38 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 106.241 -1.762 . . . . 82.569999999999993 106.241 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.79 -123.3 6.0 Favored Glycine 0 C--N 1.332 0.356 0 CA-C-N 115.196 -0.911 . . . . 81.019999999999996 111.438 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.61 ' O ' ' HB2' ' A' ' 38' ' ' ARG . . . 28.5 -151.0 0.0 OUTLIER Glycine 0 CA--C 1.52 0.363 0 N-CA-C 119.246 2.458 . . . . 78.689999999999998 119.246 179.291 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.885 HH11 HE22 ' A' ' 32' ' ' GLN . 0.0 OUTLIER 81.03 -1.82 1.77 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 124.381 1.072 . . . . 72.450000000000003 110.706 -179.459 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.34 -33.66 4.77 Favored Glycine 0 N--CA 1.451 -0.361 0 N-CA-C 109.774 -1.33 . . . . 65.239999999999995 109.774 179.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -90.26 -0.81 76.34 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.69 -0.767 . . . . 56.829999999999998 111.398 179.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.673 ' HE3' ' H ' ' A' ' 38' ' ' ARG . 1.2 m-90 -97.67 11.78 35.89 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.647 0.261 . . . . 48.299999999999997 111.364 -179.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 32.7 mmt -58.27 -44.02 88.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.225 0.454 . . . . 57.840000000000003 112.225 -179.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.449 ' OE2' ' NH1' ' A' ' 46' ' ' ARG . 34.9 tp10 -68.64 -35.38 77.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 33.280000000000001 110.961 -179.933 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.0 t90 -62.94 -43.89 97.55 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.425 -0.583 . . . . 28.690000000000001 109.425 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -62.0 -42.63 99.36 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.631 -0.713 . . . . 31.800000000000001 110.194 179.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.449 ' NH1' ' OE2' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -56.93 -46.36 82.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.052 -0.522 . . . . 43.950000000000003 111.775 -179.774 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -65.4 -40.57 93.58 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.243 -0.435 . . . . 40.799999999999997 110.858 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mm -62.95 -48.15 89.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 N-CA-C 109.837 -0.431 . . . . 29.609999999999999 109.837 179.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -57.98 -49.14 77.83 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 116.25 -0.432 . . . . 34.170000000000002 110.354 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.478 ' O ' HD13 ' A' ' 54' ' ' LEU . 49.2 m-20 -58.27 -42.28 86.15 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 113.611 0.967 . . . . 32.0 113.611 -179.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 55' ' ' ILE . 17.9 m-85 -74.85 -29.11 60.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.867 0.365 . . . . 39.009999999999998 111.981 -179.728 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 87.5 m -72.13 -35.33 69.08 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 107.614 -1.254 . . . . 27.460000000000001 107.614 179.09 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -41.12 85.28 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.726 -0.67 . . . . 34.380000000000003 110.588 179.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.478 HD13 ' O ' ' A' ' 50' ' ' ASN . 3.2 mp -64.4 -39.97 94.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.386 -0.37 . . . . 36.200000000000003 110.573 -179.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 51' ' ' TYR . 51.2 mt -68.25 -45.12 83.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 111.921 0.341 . . . . 36.950000000000003 111.921 -179.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.593 ' HE1' HE22 ' A' ' 22' ' ' GLN . 1.6 m-70 -57.79 -38.96 76.43 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.082 -0.71 . . . . 46.469999999999999 109.082 179.581 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.2 m -67.38 -39.82 85.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 34.82 110.229 179.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -66.81 -41.53 87.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 37.75 110.878 -180.0 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.1 mt -67.35 -43.15 88.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.5 . . . . 44.630000000000003 111.238 179.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -61.81 -43.1 99.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.629 0.603 . . . . 60.420000000000002 112.629 -179.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -72.29 -21.45 61.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.883 0.373 . . . . 62.450000000000003 111.792 -179.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.3 m -83.33 -37.26 23.63 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.313 -0.625 . . . . 68.769999999999996 109.313 179.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -65.56 -41.18 93.24 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 106.835 -1.543 . . . . 75.189999999999998 106.835 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -48.85 -94.3 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.388 1.255 . . . . 85.120000000000005 114.388 -179.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLN . . . . . 0.78 HE21 ' HB3' ' A' ' 68' ' ' LYS . 1.1 tp60 -77.11 50.89 0.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 116.505 2.039 . . . . 90.650000000000006 116.505 -178.141 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 66' ' ' GLN . 0.0 OUTLIER -109.53 -17.96 13.62 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 102.74 -3.059 . . . . 96.670000000000002 102.74 176.981 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -78.24 -19.48 53.65 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 114.609 -1.178 . . . . 99.849999999999994 110.518 179.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.78 ' HB3' HE21 ' A' ' 65' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 117.927 -1.035 . . . . 100.0 109.965 179.808 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . 0.43 ' O ' ' HB3' ' A' ' 56' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_