data_3i9z_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 3i9z _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 1001 ' ' MET . . . . . . . . . . . . . 29.2 mmm . . . . . 0 C--O 1.233 0.227 0 N-CA-C 111.47 0.174 . . . . 86.76 111.47 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 1002 ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -101.3 165.0 11.51 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 125.374 1.47 . . . . 50.21 111.877 -177.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1003 ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' 3016 ' ' HOH . 23.2 mt-30 -138.69 116.95 11.87 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.455 0.472 . . . . 55.89 109.856 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1004 ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' 1044 ' ' VAL . 5.1 mttp -124.51 144.39 50.14 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.573 1.549 . . . . 36.89 113.613 -171.324 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1005 ' ' THR . . . . . 0.638 ' CG2' ' OD2' ' A' 1043 ' ' ASP . 1.1 m -105.74 78.58 1.35 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.255 0.622 . . . . 36.53 111.36 178.991 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1006 ' ' LEU . . . . . . . . . . . . . 3.8 mt -63.35 130.88 46.36 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 118.82 -1.152 . . . . 35.66 110.856 -177.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -84.57 123.45 30.32 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 114.942 -1.026 . . . . 29.56 108.252 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1008 ' ' VAL . . . . . 0.449 ' N ' ' O ' ' A' 1040 ' ' GLY . 13.7 t -128.69 128.27 67.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 122.538 1.161 . . . . 27.09 113.019 -174.169 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1009 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -108.06 144.33 35.57 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 118.689 -1.204 . . . . 40.69 111.888 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1010 ' ' GLY . . . . . . . . . . . . . . . 109.43 -17.56 31.02 Favored Glycine 0 CA--C 1.508 -0.357 0 C-N-CA 119.832 -1.175 . . . . 3.76 113.384 176.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1011 ' ' MET . . . . . . . . . . . . . 44.8 mtm -71.19 124.15 23.82 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 117.295 -1.762 . . . . 18.9 111.438 178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 86.3 p -134.94 -10.6 2.31 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 117.316 -1.754 . . . . 12.19 113.319 178.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1013 ' ' CYS . . . . . . . . . . . . . 20.5 t -120.72 123.88 43.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.652 1.215 . . . . 6.26 112.307 -174.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -54.39 -37.83 65.48 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 113.123 -1.853 . . . . 13.59 111.476 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1015 ' ' HIS . . . . . . . . . . . . . 83.6 t60 -68.38 -49.69 58.34 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 125.308 1.63 . . . . 7.67 110.574 176.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1016 ' ' CYS . . . . . . . . . . . . . 94.6 m -71.87 -26.47 62.36 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 124.706 1.254 . . . . 12.3 111.004 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1017 ' ' VAL . . . . . . . . . . . . . 1.6 t -63.8 -28.97 46.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 117.256 -1.778 . . . . 26.88 110.624 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1018 ' ' LYS . . . . . . . . . . . . . 7.8 mtmt -48.18 -37.95 17.0 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.795 1.238 . . . . 18.41 111.575 173.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1019 ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.92 61.28 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.165 0.507 . . . . 8.65 111.76 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1020 ' ' VAL . . . . . . . . . . . . . 77.4 t -55.5 -56.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 122.11 0.957 . . . . 17.67 110.879 172.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1021 ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -53.74 -37.56 63.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 113.934 -1.484 . . . . 20.55 110.32 -179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1022 ' ' THR . . . . . . . . . . . . . 5.4 m -74.42 -52.47 11.97 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 126.127 1.771 . . . . 32.91 111.601 -176.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1023 ' ' SER . . . . . . . . . . . . . 14.7 p -68.02 -39.39 83.14 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 118.079 -1.448 . . . . 25.42 113.205 178.517 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1024 ' ' VAL . . . . . . . . . . . . . 3.9 t -68.27 -26.59 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 118.113 -2.867 . . . . 19.07 109.503 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1025 ' ' GLY . . . . . . . . . . . . . . . -67.58 -39.19 90.85 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.069 -0.968 . . . . 23.16 112.495 175.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1026 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -3.01 19.71 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.928 -1.336 . . . . 30.81 111.921 -176.702 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1027 ' ' LEU . . . . . . . . . . . . . 12.5 mt -80.09 118.95 22.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.999 0.74 . . . . 20.61 112.999 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1028 ' ' ASP . . . . . . . . . . . . . 43.1 t0 -51.04 131.34 27.07 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.416 -1.265 . . . . 62.5 108.345 170.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1029 ' ' GLY . . . . . . . . . . . . . . . 116.56 -43.9 1.56 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 109.347 -1.501 . . . . 39.2 109.347 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1030 ' ' VAL . . . . . . . . . . . . . 2.5 t -67.13 109.51 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 128.835 2.854 . . . . 38.65 110.995 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1031 ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.1 -13.27 23.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.328 -0.851 . . . . 32.91 109.787 -179.032 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . 176.94 160.76 0.4 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 113.791 -1.549 . . . . 27.56 110.374 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1033 ' ' VAL . . . . . . . . . . . . . 2.8 p -161.37 144.9 4.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 127.386 2.274 . . . . 22.43 107.968 171.809 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1034 ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -140.16 129.08 23.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.656 -1.979 . . . . 19.13 105.656 178.157 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1035 ' ' VAL . . . . . . . . . . . . . 94.7 t -95.25 123.13 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 113.949 -1.478 . . . . 22.85 109.052 -176.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1036 ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -100.12 84.99 2.93 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.152 -1.019 . . . . 28.93 110.329 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1037 ' ' LEU . . . . . . . . . . . . . 23.1 tp -44.39 -35.39 2.38 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 114.939 1.459 . . . . 16.73 114.939 -178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1038 ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -86.98 -25.88 24.08 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 117.482 -1.687 . . . . 53.53 112.316 -172.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1039 ' ' ALA . . . . . . . . . . . . . . . -93.84 0.26 56.13 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.179 -0.209 . . . . 27.62 110.843 177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1040 ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' 1008 ' ' VAL . . . 56.98 42.22 92.71 Favored Glycine 0 N--CA 1.465 0.632 0 CA-C-O 124.146 1.97 . . . . 24.72 108.787 -178.046 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1041 ' ' LYS . . . . . . . . . . . . . 24.4 mttt -125.54 139.36 53.67 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 113.723 -1.238 . . . . 20.62 112.369 -173.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 35.0 t -120.31 66.59 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 122.824 0.449 . . . . 40.53 110.242 176.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1043 ' ' ASP . . . . . 0.638 ' OD2' ' CG2' ' A' 1005 ' ' THR . 0.9 OUTLIER -54.12 121.43 8.12 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 108.572 -0.899 . . . . 38.52 108.572 177.875 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A 1044 ' ' VAL . . . . . 0.453 ' N ' ' O ' ' A' 1004 ' ' LYS . 14.7 p -124.32 162.88 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 116.55 -1.691 . . . . 21.86 108.26 -179.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1045 ' ' SER . . . . . . . . . . . . . 1.3 p -138.86 138.41 37.45 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 131.227 3.811 . . . . 25.74 110.037 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1046 ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -169.14 176.71 5.15 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 117.55 -1.66 . . . . 49.96 112.688 -171.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 44.2 t0 -96.69 110.1 22.61 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 106.9 -1.518 . . . . 23.51 106.9 172.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1048 ' ' ALA . . . . . . . . . . . . . . . -62.38 -15.99 52.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 126.271 2.232 . . . . 24.32 111.782 -176.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1049 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.55 -11.18 54.69 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.54 -0.725 . . . . 51.84 111.734 174.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1050 ' ' LYS . . . . . . . . . . . . . 8.1 mttt -119.11 -7.04 10.4 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 118.206 -1.397 . . . . 24.72 113.865 -168.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1051 ' ' VAL . . . . . . . . . . . . . 11.5 p -167.2 159.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.349 -1.352 . . . . 26.42 107.349 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 85.2 p -116.55 165.48 13.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.277 0.56 . . . . 10.33 110.795 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1053 ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' 1057 ' ' ALA . 3.1 t -58.26 -39.54 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.924 -0.71 . . . . 23.08 110.903 172.442 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1054 ' ' LYS . . . . . . . . . . . . . 11.3 tmtt? -50.7 -51.87 45.56 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 127.246 2.218 . . . . 32.84 111.211 -177.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1055 ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' 1059 ' ' ALA . 64.7 m-20 -59.45 -62.35 1.95 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 117.605 -1.638 . . . . 42.28 109.156 175.262 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1056 ' ' ILE . . . . . . . . . . . . . 3.6 mt -38.51 -54.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 127.232 2.213 . . . . 19.4 113.574 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1057 ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' 1053 ' ' VAL . . . -57.38 -50.74 72.01 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.693 -0.854 . . . . 22.64 108.693 171.349 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1058 ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' 1055 ' ' ASP . 94.3 m-20 -53.0 -38.79 62.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.872 0.844 . . . . 24.7 110.068 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1059 ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' 1055 ' ' ASP . . . -74.86 -17.94 60.51 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 118.102 -1.439 . . . . 23.37 109.589 -176.649 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1060 ' ' ILE . . . . . . . . . . . . . 33.0 mt -87.37 -31.76 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 30.13 110.488 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -79.56 -24.28 42.22 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 125.23 1.581 . . . . 18.88 110.238 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1062 ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -69.49 -11.77 61.1 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 116.639 -1.648 . . . . 23.19 111.705 176.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -85.6 -13.79 47.68 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.372 0.987 . . . . 8.41 108.738 173.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1064 ' ' GLY . . . . . . . . . . . . . . . 98.48 17.68 28.15 Favored Glycine 0 N--CA 1.426 -2.03 0 C-N-CA 128.147 2.784 . . . . 4.42 116.835 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1065 ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -96.93 174.33 6.84 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 116.674 -2.01 . . . . 20.15 110.579 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1066 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -108.83 112.21 24.35 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.281 -0.887 . . . . 24.41 112.948 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 1067 ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' 1069 ' ' LYS . 59.7 t -85.01 119.43 33.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-O 122.452 1.12 . . . . 28.14 110.637 175.591 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1068 ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' 1069 ' ' LYS . . . -62.56 87.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.36 1.076 . . . . 28.87 110.093 -177.616 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A 1069 ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' 1067 ' ' VAL . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.224 -0.898 . . . . 32.3 111.193 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2001 ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3012 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3014 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3015 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3016 ' ' HOH . . . . . 0.439 ' O ' ' N ' ' A' 1003 ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 3017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3019 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 3020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 1001 ' ' MET . . . . . 0.798 ' HA ' ' O ' ' A' 1046 ' ' PHE . 29.2 mmm . . . . . 0 C--O 1.233 0.227 0 N-CA-C 111.47 0.174 . . . . 86.760000000000005 111.47 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1002 ' ' GLU . . . . . 0.71 ' HB3' ' O ' ' A' 3016 ' ' HOH . 2.6 mt-10 -101.3 165.0 11.51 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 125.374 1.47 . . . . 50.210000000000001 111.877 -177.318 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1003 ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' 3016 ' ' HOH . 23.2 mt-30 -138.69 116.95 11.87 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.455 0.472 . . . . 55.890000000000001 109.856 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1004 ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' 1043 ' ' ASP . 5.1 mttp -124.51 144.39 50.14 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.573 1.549 . . . . 36.890000000000001 113.613 -171.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1005 ' ' THR . . . . . 1.072 HG23 ' OD2' ' A' 1043 ' ' ASP . 1.1 m -105.74 78.58 1.35 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.255 0.622 . . . . 36.530000000000001 111.36 178.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1006 ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' 3014 ' ' HOH . 3.8 mt -63.35 130.88 46.36 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 118.82 -1.152 . . . . 35.659999999999997 110.856 -177.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -84.57 123.45 30.32 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 114.942 -1.026 . . . . 29.559999999999999 108.252 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1008 ' ' VAL . . . . . 0.407 ' CG1' ' HG3' ' A' 1011 ' ' MET . 13.7 t -128.69 128.27 67.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 122.538 1.161 . . . . 27.09 113.019 -174.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1009 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -108.06 144.33 35.57 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 118.689 -1.204 . . . . 40.689999999999998 111.888 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1010 ' ' GLY . . . . . . . . . . . . . . . 109.43 -17.56 31.02 Favored Glycine 0 CA--C 1.508 -0.357 0 C-N-CA 119.832 -1.175 . . . . 3.7599999999999998 113.384 176.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1011 ' ' MET . . . . . 0.407 ' HG3' ' CG1' ' A' 1008 ' ' VAL . 44.8 mtm -71.19 124.15 23.82 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 117.295 -1.762 . . . . 18.899999999999999 111.438 178.745 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 86.3 p -134.94 -10.6 2.31 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 117.316 -1.754 . . . . 12.19 113.319 178.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1013 ' ' CYS . . . . . . . . . . . . . 20.5 t -120.72 123.88 43.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.652 1.215 . . . . 6.2599999999999998 112.307 -174.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -54.39 -37.83 65.48 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 113.123 -1.853 . . . . 13.59 111.476 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1015 ' ' HIS . . . . . 0.553 ' O ' ' HB2' ' A' 1018 ' ' LYS . 83.6 t60 -68.38 -49.69 58.34 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 125.308 1.63 . . . . 7.6699999999999999 110.574 176.179 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1016 ' ' CYS . . . . . . . . . . . . . 94.6 m -71.87 -26.47 62.36 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 124.706 1.254 . . . . 12.300000000000001 111.004 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1017 ' ' VAL . . . . . 0.532 HG21 HD13 ' A' 1037 ' ' LEU . 1.6 t -63.8 -28.97 46.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 117.256 -1.778 . . . . 26.879999999999999 110.624 179.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1018 ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' 1015 ' ' HIS . 7.8 mtmt -48.18 -37.95 17.0 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.795 1.238 . . . . 18.41 111.575 173.488 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1019 ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.92 61.28 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.165 0.507 . . . . 8.6500000000000004 111.76 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1020 ' ' VAL . . . . . . . . . . . . . 77.4 t -55.5 -56.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 122.11 0.957 . . . . 17.670000000000002 110.879 172.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1021 ' ' GLU . . . . . 0.874 ' HG3' HG23 ' A' 1035 ' ' VAL . 12.9 mt-10 -53.74 -37.56 63.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 113.934 -1.484 . . . . 20.550000000000001 110.32 -179.341 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1022 ' ' THR . . . . . . . . . . . . . 5.4 m -74.42 -52.47 11.97 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 126.127 1.771 . . . . 32.909999999999997 111.601 -176.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1023 ' ' SER . . . . . . . . . . . . . 14.7 p -68.02 -39.39 83.14 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 118.079 -1.448 . . . . 25.420000000000002 113.205 178.517 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1024 ' ' VAL . . . . . 0.735 ' O ' HG21 ' A' 1030 ' ' VAL . 3.9 t -68.27 -26.59 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 118.113 -2.867 . . . . 19.07 109.503 177.962 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1025 ' ' GLY . . . . . 0.717 ' HA2' HG11 ' A' 1030 ' ' VAL . . . -67.58 -39.19 90.85 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.069 -0.968 . . . . 23.16 112.495 175.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1026 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -3.01 19.71 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.928 -1.336 . . . . 30.809999999999999 111.921 -176.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1027 ' ' LEU . . . . . 0.55 ' O ' ' HB ' ' A' 1030 ' ' VAL . 12.5 mt -80.09 118.95 22.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.999 0.74 . . . . 20.609999999999999 112.999 178.547 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1028 ' ' ASP . . . . . . . . . . . . . 43.1 t0 -51.04 131.34 27.07 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.416 -1.265 . . . . 62.5 108.345 170.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1029 ' ' GLY . . . . . . . . . . . . . . . 116.56 -43.9 1.56 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 109.347 -1.501 . . . . 39.200000000000003 109.347 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1030 ' ' VAL . . . . . 0.735 HG21 ' O ' ' A' 1024 ' ' VAL . 2.5 t -67.13 109.51 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 128.835 2.854 . . . . 38.649999999999999 110.995 -177.968 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1031 ' ' SER . . . . . 0.592 ' OG ' ' HE1' ' A' 1001 ' ' MET . 0.3 OUTLIER -96.1 -13.27 23.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.328 -0.851 . . . . 32.909999999999997 109.787 -179.032 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . 176.94 160.76 0.4 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 113.791 -1.549 . . . . 27.559999999999999 110.374 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1033 ' ' VAL . . . . . . . . . . . . . 2.8 p -161.37 144.9 4.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 127.386 2.274 . . . . 22.43 107.968 171.809 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1034 ' ' HIS . . . . . 0.728 ' HB3' ' O ' ' A' 3019 ' ' HOH . 0.0 OUTLIER -140.16 129.08 23.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.656 -1.979 . . . . 19.129999999999999 105.656 178.157 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A 1035 ' ' VAL . . . . . 0.874 HG23 ' HG3' ' A' 1021 ' ' GLU . 94.7 t -95.25 123.13 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 113.949 -1.478 . . . . 22.850000000000001 109.052 -176.421 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1036 ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -100.12 84.99 2.93 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.152 -1.019 . . . . 28.93 110.329 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1037 ' ' LEU . . . . . 0.532 HD13 HG21 ' A' 1017 ' ' VAL . 23.1 tp -44.39 -35.39 2.38 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 114.939 1.459 . . . . 16.73 114.939 -178.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1038 ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -86.98 -25.88 24.08 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 117.482 -1.687 . . . . 53.530000000000001 112.316 -172.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1039 ' ' ALA . . . . . 0.624 ' O ' ' HG3' ' A' 1041 ' ' LYS . . . -93.84 0.26 56.13 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.179 -0.209 . . . . 27.620000000000001 110.843 177.097 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . 56.98 42.22 92.71 Favored Glycine 0 N--CA 1.465 0.632 0 CA-C-O 124.146 1.97 . . . . 24.719999999999999 108.787 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1041 ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' 1039 ' ' ALA . 24.4 mttt -125.54 139.36 53.67 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 113.723 -1.238 . . . . 20.620000000000001 112.369 -173.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 35.0 t -120.31 66.59 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 122.824 0.449 . . . . 40.530000000000001 110.242 176.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1043 ' ' ASP . . . . . 1.072 ' OD2' HG23 ' A' 1005 ' ' THR . 0.9 OUTLIER -54.12 121.43 8.12 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 108.572 -0.899 . . . . 38.520000000000003 108.572 177.875 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A 1044 ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' 3015 ' ' HOH . 14.7 p -124.32 162.88 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 116.55 -1.691 . . . . 21.859999999999999 108.26 -179.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1045 ' ' SER . . . . . 0.659 ' HA ' ' O ' ' A' 1002 ' ' GLU . 1.3 p -138.86 138.41 37.45 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 131.227 3.811 . . . . 25.739999999999998 110.037 176.151 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1046 ' ' PHE . . . . . 0.798 ' O ' ' HA ' ' A' 1001 ' ' MET . 0.3 OUTLIER -169.14 176.71 5.15 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 117.55 -1.66 . . . . 49.960000000000001 112.688 -171.712 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 44.2 t0 -96.69 110.1 22.61 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 106.9 -1.518 . . . . 23.510000000000002 106.9 172.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1048 ' ' ALA . . . . . . . . . . . . . . . -62.38 -15.99 52.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 126.271 2.232 . . . . 24.32 111.782 -176.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1049 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.55 -11.18 54.69 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.54 -0.725 . . . . 51.840000000000003 111.734 174.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1050 ' ' LYS . . . . . . . . . . . . . 8.1 mttt -119.11 -7.04 10.4 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 118.206 -1.397 . . . . 24.719999999999999 113.865 -168.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1051 ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' 1046 ' ' PHE . 11.5 p -167.2 159.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.349 -1.352 . . . . 26.420000000000002 107.349 177.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 85.2 p -116.55 165.48 13.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.277 0.56 . . . . 10.33 110.795 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1053 ' ' VAL . . . . . . . . . . . . . 3.1 t -58.26 -39.54 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.924 -0.71 . . . . 23.079999999999998 110.903 172.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1054 ' ' LYS . . . . . 0.622 ' HE2' ' OD2' ' A' 1058 ' ' ASP . 11.3 tmtt? -50.7 -51.87 45.56 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 127.246 2.218 . . . . 32.840000000000003 111.211 -177.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1055 ' ' ASP . . . . . 0.553 ' O ' ' HB2' ' A' 1058 ' ' ASP . 64.7 m-20 -59.45 -62.35 1.95 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 117.605 -1.638 . . . . 42.280000000000001 109.156 175.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1056 ' ' ILE . . . . . . . . . . . . . 3.6 mt -38.51 -54.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 127.232 2.213 . . . . 19.399999999999999 113.574 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1057 ' ' ALA . . . . . . . . . . . . . . . -57.38 -50.74 72.01 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.693 -0.854 . . . . 22.640000000000001 108.693 171.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1058 ' ' ASP . . . . . 0.622 ' OD2' ' HE2' ' A' 1054 ' ' LYS . 94.3 m-20 -53.0 -38.79 62.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.872 0.844 . . . . 24.699999999999999 110.068 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1059 ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' 1055 ' ' ASP . . . -74.86 -17.94 60.51 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 118.102 -1.439 . . . . 23.370000000000001 109.589 -176.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1060 ' ' ILE . . . . . . . . . . . . . 33.0 mt -87.37 -31.76 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 30.129999999999999 110.488 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -79.56 -24.28 42.22 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 125.23 1.581 . . . . 18.879999999999999 110.238 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1062 ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -69.49 -11.77 61.1 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 116.639 -1.648 . . . . 23.190000000000001 111.705 176.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -85.6 -13.79 47.68 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.372 0.987 . . . . 8.4100000000000001 108.738 173.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1064 ' ' GLY . . . . . . . . . . . . . . . 98.48 17.68 28.15 Favored Glycine 0 N--CA 1.426 -2.03 0 C-N-CA 128.147 2.784 . . . . 4.4199999999999999 116.835 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1065 ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -96.93 174.33 6.84 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 116.674 -2.01 . . . . 20.149999999999999 110.579 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1066 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -108.83 112.21 24.35 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.281 -0.887 . . . . 24.41 112.948 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 1067 ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' 1069 ' ' LYS . 59.7 t -85.01 119.43 33.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-O 122.452 1.12 . . . . 28.140000000000001 110.637 175.591 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1068 ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' 1069 ' ' LYS . . . -62.56 87.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.36 1.076 . . . . 28.870000000000001 110.093 -177.616 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A 1069 ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' 1067 ' ' VAL . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.224 -0.898 . . . . 32.299999999999997 111.193 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2001 ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3012 ' ' HOH . . . . . 0.432 ' O ' ' HB2' ' A' 1034 ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 3013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3014 ' ' HOH . . . . . 0.758 ' O ' HD23 ' A' 1006 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 3015 ' ' HOH . . . . . 0.591 ' O ' HG13 ' A' 1044 ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 3016 ' ' HOH . . . . . 0.71 ' O ' ' HB3' ' A' 1002 ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 3017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 3019 ' ' HOH . . . . . 0.728 ' O ' ' HB3' ' A' 1034 ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 3020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 1001 ' ' MET . . . . . 0.798 ' HA ' ' O ' ' A' 1046 ' ' PHE . 29.2 mmm . . . . . 0 C--O 1.233 0.227 0 N-CA-C 111.47 0.174 . . . . 86.76 111.47 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1002 ' ' GLU . . . . . 0.71 ' HB3' ' O ' ' A' 3016 ' ' HOH . 2.6 mt-10 -101.3 165.0 11.51 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 125.374 1.47 . . . . 50.21 111.877 -177.318 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1003 ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' 3016 ' ' HOH . 23.2 mt-30 -138.69 116.95 11.87 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.455 0.472 . . . . 55.89 109.856 178.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1004 ' ' LYS . . . . . 0.643 ' O ' ' HA ' ' A' 1043 ' ' ASP . 5.1 mttp -124.51 144.39 50.14 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 125.573 1.549 . . . . 36.89 113.613 -171.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1005 ' ' THR . . . . . 1.072 HG23 ' OD2' ' A' 1043 ' ' ASP . 1.1 m -105.74 78.58 1.35 Allowed 'General case' 0 C--O 1.236 0.374 0 C-N-CA 123.255 0.622 . . . . 36.53 111.36 178.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1006 ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' 3014 ' ' HOH . 3.8 mt -63.35 130.88 46.36 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 118.82 -1.152 . . . . 35.66 110.856 -177.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1007 ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -84.57 123.45 30.32 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 114.942 -1.026 . . . . 29.56 108.252 177.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1008 ' ' VAL . . . . . 0.407 ' CG1' ' HG3' ' A' 1011 ' ' MET . 13.7 t -128.69 128.27 67.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 122.538 1.161 . . . . 27.09 113.019 -174.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1009 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -108.06 144.33 35.57 Favored 'General case' 0 C--N 1.338 0.089 0 C-N-CA 118.689 -1.204 . . . . 40.69 111.888 175.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1010 ' ' GLY . . . . . . . . . . . . . . . 109.43 -17.56 31.02 Favored Glycine 0 CA--C 1.508 -0.357 0 C-N-CA 119.832 -1.175 . . . . 3.76 113.384 176.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1011 ' ' MET . . . . . 0.407 ' HG3' ' CG1' ' A' 1008 ' ' VAL . 44.8 mtm -71.19 124.15 23.82 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 117.295 -1.762 . . . . 18.9 111.438 178.745 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1012 ' ' SER . . . . . . . . . . . . . 86.3 p -134.94 -10.6 2.31 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 117.316 -1.754 . . . . 12.19 113.319 178.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1013 ' ' CYS . . . . . . . . . . . . . 20.5 t -120.72 123.88 43.77 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 122.652 1.215 . . . . 6.26 112.307 -174.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1014 ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -54.39 -37.83 65.48 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 113.123 -1.853 . . . . 13.59 111.476 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1015 ' ' HIS . . . . . 0.553 ' O ' ' HB2' ' A' 1018 ' ' LYS . 83.6 t60 -68.38 -49.69 58.34 Favored 'General case' 0 N--CA 1.451 -0.382 0 O-C-N 125.308 1.63 . . . . 7.67 110.574 176.179 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1016 ' ' CYS . . . . . . . . . . . . . 94.6 m -71.87 -26.47 62.36 Favored 'General case' 0 C--O 1.222 -0.38 0 O-C-N 124.706 1.254 . . . . 12.3 111.004 -174.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1017 ' ' VAL . . . . . 0.532 HG21 HD13 ' A' 1037 ' ' LEU . 1.6 t -63.8 -28.97 46.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 117.256 -1.778 . . . . 26.88 110.624 179.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1018 ' ' LYS . . . . . 0.553 ' HB2' ' O ' ' A' 1015 ' ' HIS . 7.8 mtmt -48.18 -37.95 17.0 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 124.795 1.238 . . . . 18.41 111.575 173.488 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1019 ' ' ALA . . . . . . . . . . . . . . . -75.23 -32.92 61.28 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.165 0.507 . . . . 8.65 111.76 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1020 ' ' VAL . . . . . . . . . . . . . 77.4 t -55.5 -56.59 11.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 122.11 0.957 . . . . 17.67 110.879 172.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1021 ' ' GLU . . . . . 0.874 ' HG3' HG23 ' A' 1035 ' ' VAL . 12.9 mt-10 -53.74 -37.56 63.49 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 113.934 -1.484 . . . . 20.55 110.32 -179.341 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1022 ' ' THR . . . . . . . . . . . . . 5.4 m -74.42 -52.47 11.97 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 126.127 1.771 . . . . 32.91 111.601 -176.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1023 ' ' SER . . . . . . . . . . . . . 14.7 p -68.02 -39.39 83.14 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 118.079 -1.448 . . . . 25.42 113.205 178.517 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1024 ' ' VAL . . . . . 0.735 ' O ' HG21 ' A' 1030 ' ' VAL . 3.9 t -68.27 -26.59 34.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.583 0 O-C-N 118.113 -2.867 . . . . 19.07 109.503 177.962 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1025 ' ' GLY . . . . . 0.717 ' HA2' HG11 ' A' 1030 ' ' VAL . . . -67.58 -39.19 90.85 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.069 -0.968 . . . . 23.16 112.495 175.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1026 ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.79 -3.01 19.71 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 120.928 -1.336 . . . . 30.81 111.921 -176.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1027 ' ' LEU . . . . . 0.55 ' O ' ' HB ' ' A' 1030 ' ' VAL . 12.5 mt -80.09 118.95 22.26 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.999 0.74 . . . . 20.61 112.999 178.547 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1028 ' ' ASP . . . . . . . . . . . . . 43.1 t0 -51.04 131.34 27.07 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 114.416 -1.265 . . . . 62.5 108.345 170.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1029 ' ' GLY . . . . . . . . . . . . . . . 116.56 -43.9 1.56 Allowed Glycine 0 CA--C 1.53 0.973 0 N-CA-C 109.347 -1.501 . . . . 39.2 109.347 -176.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1030 ' ' VAL . . . . . 0.735 HG21 ' O ' ' A' 1024 ' ' VAL . 2.5 t -67.13 109.51 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.818 0 C-N-CA 128.835 2.854 . . . . 38.65 110.995 -177.968 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1031 ' ' SER . . . . . 0.592 ' OG ' ' HE1' ' A' 1001 ' ' MET . 0.3 OUTLIER -96.1 -13.27 23.76 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.328 -0.851 . . . . 32.91 109.787 -179.032 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A 1032 ' ' ALA . . . . . . . . . . . . . . . 176.94 160.76 0.4 Allowed 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 113.791 -1.549 . . . . 27.56 110.374 179.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1033 ' ' VAL . . . . . . . . . . . . . 2.8 p -161.37 144.9 4.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 C-N-CA 127.386 2.274 . . . . 22.43 107.968 171.809 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1034 ' ' HIS . . . . . 0.728 ' HB3' ' O ' ' A' 3019 ' ' HOH . 0.0 OUTLIER -140.16 129.08 23.36 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 105.656 -1.979 . . . . 19.13 105.656 178.157 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A 1035 ' ' VAL . . . . . 0.874 HG23 ' HG3' ' A' 1021 ' ' GLU . 94.7 t -95.25 123.13 47.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 113.949 -1.478 . . . . 22.85 109.052 -176.421 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1036 ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -100.12 84.99 2.93 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 119.152 -1.019 . . . . 28.93 110.329 175.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1037 ' ' LEU . . . . . 0.532 HD13 HG21 ' A' 1017 ' ' VAL . 23.1 tp -44.39 -35.39 2.38 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 114.939 1.459 . . . . 16.73 114.939 -178.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1038 ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -86.98 -25.88 24.08 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 117.482 -1.687 . . . . 53.53 112.316 -172.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1039 ' ' ALA . . . . . 0.624 ' O ' ' HG3' ' A' 1041 ' ' LYS . . . -93.84 0.26 56.13 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 121.179 -0.209 . . . . 27.62 110.843 177.097 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1040 ' ' GLY . . . . . . . . . . . . . . . 56.98 42.22 92.71 Favored Glycine 0 N--CA 1.465 0.632 0 CA-C-O 124.146 1.97 . . . . 24.72 108.787 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1041 ' ' LYS . . . . . 0.624 ' HG3' ' O ' ' A' 1039 ' ' ALA . 24.4 mttt -125.54 139.36 53.67 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 113.723 -1.238 . . . . 20.62 112.369 -173.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1042 ' ' VAL . . . . . . . . . . . . . 35.0 t -120.31 66.59 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.479 0 C-N-CA 122.824 0.449 . . . . 40.53 110.242 176.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1043 ' ' ASP . . . . . 1.072 ' OD2' HG23 ' A' 1005 ' ' THR . 0.9 OUTLIER -54.12 121.43 8.12 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 108.572 -0.899 . . . . 38.52 108.572 177.875 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A 1044 ' ' VAL . . . . . 0.591 HG13 ' O ' ' A' 3015 ' ' HOH . 14.7 p -124.32 162.88 25.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-O 116.55 -1.691 . . . . 21.86 108.26 -179.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1045 ' ' SER . . . . . 0.659 ' HA ' ' O ' ' A' 1002 ' ' GLU . 1.3 p -138.86 138.41 37.45 Favored 'General case' 0 C--N 1.311 -1.108 0 C-N-CA 131.227 3.811 . . . . 25.74 110.037 176.151 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1046 ' ' PHE . . . . . 0.798 ' O ' ' HA ' ' A' 1001 ' ' MET . 0.3 OUTLIER -169.14 176.71 5.15 Favored 'General case' 0 CA--C 1.519 -0.212 0 C-N-CA 117.55 -1.66 . . . . 49.96 112.688 -171.712 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A 1047 ' ' ASP . . . . . . . . . . . . . 44.2 t0 -96.69 110.1 22.61 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 106.9 -1.518 . . . . 23.51 106.9 172.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1048 ' ' ALA . . . . . . . . . . . . . . . -62.38 -15.99 52.03 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 126.271 2.232 . . . . 24.32 111.782 -176.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1049 ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -85.55 -11.18 54.69 Favored 'General case' 0 N--CA 1.45 -0.439 0 O-C-N 121.54 -0.725 . . . . 51.84 111.734 174.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1050 ' ' LYS . . . . . . . . . . . . . 8.1 mttt -119.11 -7.04 10.4 Favored 'General case' 0 C--O 1.235 0.312 0 C-N-CA 118.206 -1.397 . . . . 24.72 113.865 -168.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1051 ' ' VAL . . . . . 0.424 HG13 ' HD2' ' A' 1046 ' ' PHE . 11.5 p -167.2 159.66 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 N-CA-C 107.349 -1.352 . . . . 26.42 107.349 177.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1052 ' ' SER . . . . . . . . . . . . . 85.2 p -116.55 165.48 13.19 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.277 0.56 . . . . 10.33 110.795 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1053 ' ' VAL . . . . . . . . . . . . . 3.1 t -58.26 -39.54 74.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.924 -0.71 . . . . 23.08 110.903 172.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1054 ' ' LYS . . . . . 0.622 ' HE2' ' OD2' ' A' 1058 ' ' ASP . 11.3 tmtt? -50.7 -51.87 45.56 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 127.246 2.218 . . . . 32.84 111.211 -177.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1055 ' ' ASP . . . . . 0.553 ' O ' ' HB2' ' A' 1058 ' ' ASP . 64.7 m-20 -59.45 -62.35 1.95 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 117.605 -1.638 . . . . 42.28 109.156 175.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1056 ' ' ILE . . . . . . . . . . . . . 3.6 mt -38.51 -54.15 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 C-N-CA 127.232 2.213 . . . . 19.4 113.574 175.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1057 ' ' ALA . . . . . . . . . . . . . . . -57.38 -50.74 72.01 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 108.693 -0.854 . . . . 22.64 108.693 171.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1058 ' ' ASP . . . . . 0.622 ' OD2' ' HE2' ' A' 1054 ' ' LYS . 94.3 m-20 -53.0 -38.79 62.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.872 0.844 . . . . 24.7 110.068 179.282 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1059 ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' 1055 ' ' ASP . . . -74.86 -17.94 60.51 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 118.102 -1.439 . . . . 23.37 109.589 -176.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1060 ' ' ILE . . . . . . . . . . . . . 33.0 mt -87.37 -31.76 6.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.757 -0.656 . . . . 30.13 110.488 -179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1061 ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -79.56 -24.28 42.22 Favored 'General case' 0 CA--C 1.516 -0.332 0 O-C-N 125.23 1.581 . . . . 18.88 110.238 -178.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1062 ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -69.49 -11.77 61.1 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 116.639 -1.648 . . . . 23.19 111.705 176.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1063 ' ' GLN . . . . . . . . . . . . . 92.5 mm-40 -85.6 -13.79 47.68 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 119.372 0.987 . . . . 8.41 108.738 173.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1064 ' ' GLY . . . . . . . . . . . . . . . 98.48 17.68 28.15 Favored Glycine 0 N--CA 1.426 -2.03 0 C-N-CA 128.147 2.784 . . . . 4.42 116.835 -177.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1065 ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -96.93 174.33 6.84 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 116.674 -2.01 . . . . 20.15 110.579 179.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1066 ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -108.83 112.21 24.35 Favored 'General case' 0 C--N 1.328 -0.351 0 O-C-N 121.281 -0.887 . . . . 24.41 112.948 -178.159 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 1067 ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' 1069 ' ' LYS . 59.7 t -85.01 119.43 33.77 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.234 0 CA-C-O 122.452 1.12 . . . . 28.14 110.637 175.591 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1068 ' ' ALA . . . . . 0.418 ' O ' ' O ' ' A' 1069 ' ' LYS . . . -62.56 87.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 122.36 1.076 . . . . 28.87 110.093 -177.616 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A 1069 ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' 1067 ' ' VAL . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 115.224 -0.898 . . . . 32.3 111.193 179.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' CU1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3008 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3009 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3010 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3012 ' ' HOH . . . . . 0.432 ' O ' ' HB2' ' A' 1034 ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 3013 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3014 ' ' HOH . . . . . 0.758 ' O ' HD23 ' A' 1006 ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 3015 ' ' HOH . . . . . 0.591 ' O ' HG13 ' A' 1044 ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 3016 ' ' HOH . . . . . 0.71 ' O ' ' HB3' ' A' 1002 ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 3017 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3018 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 3019 ' ' HOH . . . . . 0.728 ' O ' ' HB3' ' A' 1034 ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 3020 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_