data_1ql2_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 1ql2 _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 110.83 -0.908 . . . . 167.0 110.83 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.0 p 179.51 -153.61 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 103.048 -2.945 . . . . 56.25 103.048 -177.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 45.7 mt -151.56 117.04 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 104.139 -2.541 . . . . 48.49 104.139 178.63 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.98 83.79 2.24 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 113.276 -1.784 . . . . 115.07 110.698 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.2 m -99.02 48.29 0.96 Allowed 'General case' 0 C--O 1.24 0.59 0 N-CA-C 104.939 -2.245 . . . . 21.98 104.939 176.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -74.9 -58.75 3.09 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.459 -0.792 . . . . 69.79 111.759 -174.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.19 -28.2 59.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.869 -0.789 . . . . 23.09 108.869 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.6 t -64.53 -32.5 58.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.316 -0.856 . . . . 23.96 109.849 -179.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.8 -55.99 18.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.416 -0.913 . . . . 57.08 110.894 176.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 p -65.26 -25.73 67.79 Favored 'General case' 0 C--O 1.25 1.093 0 CA-C-O 120.7 0.286 . . . . 33.45 111.328 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.44 -38.62 69.26 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.577 -0.738 . . . . 60.89 110.128 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.94 -36.11 49.33 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.951 -0.759 . . . . 20.1 108.951 -177.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -63.04 -33.45 75.47 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 112.26 0.467 . . . . 34.92 112.26 179.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -55.52 -48.49 74.58 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 123.495 0.497 . . . . 78.3 111.335 -179.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.46 -39.1 87.35 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.225 -1.15 . . . . 16.94 110.225 176.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -49.87 -41.89 46.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 113.141 0.793 . . . . 14.7 113.141 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.19 -43.18 83.86 Favored Glycine 0 C--O 1.24 0.48 0 N-CA-C 109.411 -1.476 . . . . 9.87 109.411 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -58.4 -42.93 88.25 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.976 -0.612 . . . . 54.44 109.634 179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.4 mtt -56.83 -47.72 79.68 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.931 0.892 . . . . 2.0 112.769 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -69.65 -38.26 77.06 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.365 -0.606 . . . . 12.1 109.365 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -53.81 48.02 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 115.529 1.677 . . . . 43.28 115.529 -176.445 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.0 mm -57.57 -41.87 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.894 -0.322 . . . . 29.18 110.294 -174.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.63 -48.54 35.55 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 115.798 1.079 . . . . 2.0 115.798 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.98 -35.53 40.71 Favored Glycine 0 C--O 1.244 0.745 0 CA-C-N 117.504 0.652 . . . . 10.41 112.768 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -82.36 -30.98 30.02 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 114.943 1.461 . . . . 112.9 114.943 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.9 mt -67.88 -53.54 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 105.777 -1.935 . . . . 33.82 105.777 172.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.7 t -60.74 -27.46 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.026 -0.533 . . . . 35.23 111.844 -175.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.51 -32.41 75.06 Favored Glycine 0 C--O 1.221 -0.705 0 N-CA-C 109.111 -1.595 . . . . 12.44 109.111 173.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.64 -42.25 42.76 Favored 'General case' 0 C--O 1.242 0.684 0 O-C-N 122.327 -0.514 . . . . 13.97 110.318 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 7.1 mt -48.39 -43.96 34.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.99 0.424 . . . . 4.55 111.511 175.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 t -48.82 -32.88 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 114.35 1.241 . . . . 31.11 114.35 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.47 -43.79 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.319 0.581 . . . . 2.0 110.403 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -33.35 71.02 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.312 -0.858 . . . . 24.23 111.353 -179.242 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.42 -25.37 46.04 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.972 0.415 . . . . 48.97 111.38 -178.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -83.32 -58.57 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 108.825 -0.805 . . . . 81.48 108.825 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.61 76.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.385 -0.825 . . . . 25.65 112.167 -177.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.72 -36.35 92.19 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.411 -0.424 . . . . 2.0 112.128 177.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.9 mp -79.83 -23.46 42.02 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.416 0.608 . . . . 2.0 110.554 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.1 mm -72.98 -41.33 59.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 116.101 -0.499 . . . . 37.76 110.632 173.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -56.03 -39.65 72.29 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.421 2.689 . . . . 82.81 109.127 174.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.6 m -79.13 -42.0 27.26 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.901 -1.045 . . . . 37.53 109.999 175.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.1 tpt -52.73 -56.58 14.57 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.321 -0.854 . . . . 17.56 111.582 -176.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.17 -21.47 61.72 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 118.651 2.834 . . . . 2.0 118.651 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -44.57 10.91 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 114.448 1.277 . . . . 160.79 114.448 167.251 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -76.31 -52.77 9.29 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.3 1.963 . . . . 30.32 116.3 -176.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 N-CA-C 114.299 1.222 . . . . 74.75 114.299 -178.939 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 110.709 -0.957 . . . . 167.0 110.709 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 11.1 p 179.85 -154.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 102.592 -3.114 . . . . 56.25 102.592 -177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 15.8 mm -151.97 115.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 103.778 -2.675 . . . . 48.49 103.778 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.52 80.85 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.052 -1.886 . . . . 115.07 111.231 -170.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 91.2 m -98.51 47.94 0.99 Allowed 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.006 -1.479 . . . . 21.98 107.006 177.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -73.47 -58.15 3.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 114.198 -1.365 . . . . 69.79 110.572 -172.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.76 49.37 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.735 -0.666 . . . . 23.09 110.025 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 83.9 t -69.02 -23.6 27.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.75 -0.38 . . . . 23.96 110.51 179.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -64.64 -58.2 6.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.957 -0.697 . . . . 57.08 109.285 175.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.2 p -67.27 -23.71 65.71 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 116.188 -0.46 . . . . 33.45 111.485 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.52 -34.54 69.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.304 -0.628 . . . . 60.89 109.304 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -56.74 -39.21 62.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.071 0.462 . . . . 20.1 109.872 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 47.4 m -67.25 -25.99 66.35 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.65 0.611 . . . . 34.92 112.65 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -56.18 -50.67 70.53 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.68 -0.489 . . . . 78.3 109.68 177.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . -67.67 -38.95 90.44 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.332 -0.937 . . . . 16.94 111.846 176.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -47.95 -46.72 32.61 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 122.679 -0.307 . . . . 14.7 111.27 -177.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.32 -45.02 52.93 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 109.2 -1.56 . . . . 9.87 109.2 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -55.98 -46.97 78.52 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 120.995 0.426 . . . . 54.44 110.698 178.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mtp -55.85 -45.78 78.37 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.435 -0.802 . . . . 2.0 111.514 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -73.21 -34.67 66.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.585 -0.524 . . . . 12.1 109.585 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.88 -54.64 31.61 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 114.476 1.287 . . . . 43.28 114.476 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -53.12 -44.01 50.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 112.37 0.508 . . . . 29.18 112.37 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -49.93 28.47 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 114.719 0.647 . . . . 2.0 114.719 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.48 -38.81 51.8 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 120.715 -0.755 . . . . 10.41 114.384 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -65.48 -49.62 68.36 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 122.519 0.328 . . . . 112.9 110.687 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.67 -49.45 80.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 106.582 -1.636 . . . . 33.82 106.582 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 t -52.84 -39.47 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.385 -0.825 . . . . 35.23 110.803 177.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.9 -33.65 87.8 Favored Glycine 0 C--O 1.226 -0.365 0 N-CA-C 111.38 -0.688 . . . . 12.44 111.38 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.65 -45.08 39.18 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.237 -0.653 . . . . 13.97 109.237 177.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -40.83 48.73 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 121.075 -0.25 . . . . 4.55 110.355 178.922 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.9 t -48.64 -31.93 3.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 114.403 1.26 . . . . 31.11 114.403 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.99 -38.86 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.424 -0.51 . . . . 2.0 112.008 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.8 -26.7 68.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 118.604 -1.239 . . . . 24.23 111.701 177.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.81 52.16 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 120.992 0.425 . . . . 48.97 109.95 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 79.4 t -84.72 -55.68 6.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.46 0.648 . . . . 81.48 109.92 175.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.21 -40.78 82.53 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.054 -0.975 . . . . 25.65 111.283 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -60.43 -40.58 97.83 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 120.899 -0.667 . . . . 2.0 112.379 176.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 46.8 mt -76.11 -29.48 57.9 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 122.214 -0.58 . . . . 2.0 109.604 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.1 -38.74 49.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 108.43 -0.952 . . . . 37.76 108.43 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -54.73 -40.51 69.33 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.783 2.033 . . . . 82.81 107.658 176.118 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.7 m -83.69 -35.51 24.45 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.169 0.803 . . . . 37.53 113.169 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -53.61 -55.59 24.48 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.636 -0.876 . . . . 17.56 108.636 -177.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.74 -27.37 64.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 115.676 1.732 . . . . 2.0 115.676 -176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -85.03 -45.13 12.42 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.685 0.624 . . . . 160.79 112.685 173.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -73.69 -53.46 10.34 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.881 1.437 . . . . 30.32 114.881 -177.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 N-CA-C 115.377 1.621 . . . . 74.75 115.377 -176.857 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.031 0 N-CA-C 110.163 -1.175 . . . . 167.0 110.163 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' VAL . . . . . . . . . . . . . 11.7 p 178.43 -152.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 101.595 -3.483 . . . . 56.25 101.595 -178.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 20.6 mm -152.65 117.93 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 105.126 -2.175 . . . . 48.49 105.126 -179.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -77.01 82.2 3.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 113.165 -1.834 . . . . 115.07 112.167 -170.627 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 55.7 m -97.39 49.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 105.572 -2.01 . . . . 21.98 105.572 176.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -75.12 -59.2 2.84 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.193 -0.912 . . . . 69.79 109.65 -175.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.43 -30.55 61.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.837 -0.619 . . . . 23.09 109.829 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.28 -24.57 29.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.965 -0.561 . . . . 23.96 111.447 -178.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -65.41 -57.93 7.11 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.457 -0.897 . . . . 57.08 109.06 175.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 24.8 p -64.97 -25.05 67.7 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 120.877 0.37 . . . . 33.45 111.114 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.45 69.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.399 -0.819 . . . . 60.89 110.422 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.17 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 119.906 -0.718 . . . . 20.1 110.726 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -68.3 -29.28 68.01 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.737 -0.385 . . . . 34.92 111.673 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -54.9 -50.47 68.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.094 0.473 . . . . 78.3 109.861 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.51 -39.1 93.9 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.644 -0.707 . . . . 16.94 111.875 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -49.16 -45.6 44.09 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.636 1.347 . . . . 14.7 114.636 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.36 -43.06 84.73 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.037 -1.625 . . . . 9.87 109.037 -179.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -65.23 -33.28 75.62 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.622 0.601 . . . . 54.44 112.622 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' MET . . . . . . . . . . . . . 6.1 mmt -62.85 -42.87 99.91 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.185 0.517 . . . . 2.0 110.334 175.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' LYS . . . . . . . . . . . . . 12.8 mtmm -68.18 -43.11 78.89 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.139 -1.059 . . . . 12.1 108.139 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.85 66.75 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 116.689 2.107 . . . . 43.28 116.689 -173.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.89 -40.53 80.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 112.566 0.58 . . . . 29.18 112.566 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.29 -49.1 32.23 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 114.708 0.643 . . . . 2.0 114.708 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.32 -40.16 60.27 Favored Glycine 0 C--O 1.241 0.545 0 C-N-CA 121.062 -0.589 . . . . 10.41 114.273 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -70.77 -43.39 68.85 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.225 0.454 . . . . 112.9 112.225 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 43.1 mm -62.33 -51.64 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 109.091 -0.707 . . . . 33.82 109.091 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 97.8 t -60.49 -29.06 43.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.562 -0.745 . . . . 35.23 110.737 -179.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.79 -35.52 91.03 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.628 -0.989 . . . . 12.44 110.628 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.93 -46.64 42.96 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.537 -0.542 . . . . 13.97 109.537 177.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.44 -37.05 36.11 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.421 -0.585 . . . . 4.55 109.421 -179.958 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 45.5 t -50.4 -34.98 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 115.369 1.618 . . . . 31.11 115.369 179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.17 -37.6 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.328 0.585 . . . . 2.0 109.819 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.03 -33.13 71.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.798 -0.637 . . . . 24.23 109.704 -179.066 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.55 -25.08 41.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.296 0.569 . . . . 48.97 111.619 -178.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -84.08 -58.3 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.664 0.745 . . . . 81.48 109.517 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.12 77.96 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.534 -1.212 . . . . 25.65 110.027 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.67 -38.79 92.45 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.374 -1.49 . . . . 2.0 109.374 -177.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 49.7 mt -81.67 -21.9 37.82 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 112.672 0.619 . . . . 2.0 112.672 -176.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 49.0 mt -82.74 -28.21 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 116.01 -0.541 . . . . 37.76 111.559 172.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -59.19 -43.18 92.21 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.362 3.065 . . . . 82.81 105.126 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 19.4 m -80.65 -39.23 27.71 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.047 -0.979 . . . . 37.53 110.172 174.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' MET . . . . . . . . . . . . . 38.3 tpp -48.71 -54.06 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.945 -0.302 . . . . 17.56 111.167 -177.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.47 -22.26 66.91 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 117.153 2.279 . . . . 2.0 117.153 -177.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -87.29 -43.61 12.04 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.347 0.869 . . . . 160.79 113.347 168.844 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -78.48 -52.53 8.39 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.187 1.18 . . . . 30.32 114.187 -174.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.24 0 N-CA-C 114.684 1.364 . . . . 74.75 114.684 -178.211 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 110.83 -0.908 . . . . 167.0 110.83 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 3' ' ' ILE . 11.0 p 179.51 -153.61 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 103.048 -2.945 . . . . 56.25 103.048 -177.841 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ILE . . . . . 0.681 ' H ' HG22 ' A' ' 2' ' ' VAL . 45.7 mt -151.56 117.04 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 104.139 -2.541 . . . . 48.490000000000002 104.139 178.63 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.98 83.79 2.24 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 113.276 -1.784 . . . . 115.06999999999999 110.698 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.653 ' CG2' ' HB ' ' A' ' 8' ' ' VAL . 32.2 m -99.02 48.29 0.96 Allowed 'General case' 0 C--O 1.24 0.59 0 N-CA-C 104.939 -2.245 . . . . 21.98 104.939 176.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -74.9 -58.75 3.09 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.459 -0.792 . . . . 69.790000000000006 111.759 -174.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.19 -28.2 59.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.869 -0.789 . . . . 23.09 108.869 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' VAL . . . . . 0.653 ' HB ' ' CG2' ' A' ' 5' ' ' THR . 21.6 t -64.53 -32.5 58.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.316 -0.856 . . . . 23.960000000000001 109.849 -179.697 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.8 -55.99 18.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.416 -0.913 . . . . 57.079999999999998 110.894 176.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 p -65.26 -25.73 67.79 Favored 'General case' 0 C--O 1.25 1.093 0 CA-C-O 120.7 0.286 . . . . 33.450000000000003 111.328 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.44 -38.62 69.26 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.577 -0.738 . . . . 60.890000000000001 110.128 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.94 -36.11 49.33 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.951 -0.759 . . . . 20.100000000000001 108.951 -177.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -63.04 -33.45 75.47 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 112.26 0.467 . . . . 34.920000000000002 112.26 179.315 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -55.52 -48.49 74.58 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 123.495 0.497 . . . . 78.299999999999997 111.335 -179.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.46 -39.1 87.35 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.225 -1.15 . . . . 16.940000000000001 110.225 176.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -49.87 -41.89 46.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 113.141 0.793 . . . . 14.699999999999999 113.141 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.19 -43.18 83.86 Favored Glycine 0 C--O 1.24 0.48 0 N-CA-C 109.411 -1.476 . . . . 9.8699999999999992 109.411 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASP . . . . . 0.52 ' O ' HG12 ' A' ' 22' ' ' ILE . 5.3 m-20 -58.4 -42.93 88.25 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.976 -0.612 . . . . 54.439999999999998 109.634 179.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.4 mtt -56.83 -47.72 79.68 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.931 0.892 . . . . 2.0 112.769 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -69.65 -38.26 77.06 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.365 -0.606 . . . . 12.1 109.365 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -53.81 48.02 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 115.529 1.677 . . . . 43.280000000000001 115.529 -176.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 18' ' ' ASP . 11.0 mm -57.57 -41.87 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.894 -0.322 . . . . 29.18 110.294 -174.814 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.63 -48.54 35.55 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 115.798 1.079 . . . . 2.0 115.798 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.98 -35.53 40.71 Favored Glycine 0 C--O 1.244 0.745 0 CA-C-N 117.504 0.652 . . . . 10.41 112.768 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -82.36 -30.98 30.02 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 114.943 1.461 . . . . 112.90000000000001 114.943 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.9 mt -67.88 -53.54 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 105.777 -1.935 . . . . 33.82 105.777 172.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' VAL . . . . . 0.825 ' HA ' HD12 ' A' ' 30' ' ' LEU . 88.7 t -60.74 -27.46 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.026 -0.533 . . . . 35.229999999999997 111.844 -175.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.51 -32.41 75.06 Favored Glycine 0 C--O 1.221 -0.705 0 N-CA-C 109.111 -1.595 . . . . 12.44 109.111 173.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.64 -42.25 42.76 Favored 'General case' 0 C--O 1.242 0.684 0 O-C-N 122.327 -0.514 . . . . 13.970000000000001 110.318 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 27' ' ' VAL . 7.1 mt -48.39 -43.96 34.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.99 0.424 . . . . 4.5499999999999998 111.511 175.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 t -48.82 -32.88 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 114.35 1.241 . . . . 31.109999999999999 114.35 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.47 -43.79 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.319 0.581 . . . . 2.0 110.403 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -33.35 71.02 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.312 -0.858 . . . . 24.23 111.353 -179.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . 0.531 ' O ' HD13 ' A' ' 38' ' ' LEU . . . -78.42 -25.37 46.04 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.972 0.415 . . . . 48.969999999999999 111.38 -178.837 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -83.32 -58.57 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 108.825 -0.805 . . . . 81.480000000000004 108.825 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.61 76.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.385 -0.825 . . . . 25.649999999999999 112.167 -177.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.72 -36.35 92.19 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.411 -0.424 . . . . 2.0 112.128 177.614 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 34' ' ' ALA . 7.9 mp -79.83 -23.46 42.02 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.416 0.608 . . . . 2.0 110.554 177.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.1 mm -72.98 -41.33 59.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 116.101 -0.499 . . . . 37.759999999999998 110.632 173.162 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -56.03 -39.65 72.29 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.421 2.689 . . . . 82.810000000000002 109.127 174.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.6 m -79.13 -42.0 27.26 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.901 -1.045 . . . . 37.530000000000001 109.999 175.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.1 tpt -52.73 -56.58 14.57 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.321 -0.854 . . . . 17.559999999999999 111.582 -176.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.17 -21.47 61.72 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 118.651 2.834 . . . . 2.0 118.651 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -44.57 10.91 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 114.448 1.277 . . . . 160.78999999999999 114.448 167.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -76.31 -52.77 9.29 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.3 1.963 . . . . 30.32 116.3 -176.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 N-CA-C 114.299 1.222 . . . . 74.75 114.299 -178.939 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 110.709 -0.957 . . . . 167.0 110.709 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . 0.68 HG22 ' H ' ' B' ' 3' ' ' ILE . 11.1 p 179.85 -154.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 102.592 -3.114 . . . . 56.25 102.592 -177.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ILE . . . . . 0.68 ' H ' HG22 ' B' ' 2' ' ' VAL . 15.8 mm -151.97 115.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 103.778 -2.675 . . . . 48.490000000000002 103.778 -178.004 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.52 80.85 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.052 -1.886 . . . . 115.06999999999999 111.231 -170.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . 0.633 HG23 ' HB ' ' B' ' 8' ' ' VAL . 91.2 m -98.51 47.94 0.99 Allowed 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.006 -1.479 . . . . 21.98 107.006 177.915 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -73.47 -58.15 3.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 114.198 -1.365 . . . . 69.790000000000006 110.572 -172.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.76 49.37 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.735 -0.666 . . . . 23.09 110.025 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' VAL . . . . . 0.633 ' HB ' HG23 ' B' ' 5' ' ' THR . 83.9 t -69.02 -23.6 27.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.75 -0.38 . . . . 23.960000000000001 110.51 179.338 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 5' ' ' THR . 61.5 mt-10 -64.64 -58.2 6.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.957 -0.697 . . . . 57.079999999999998 109.285 175.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.2 p -67.27 -23.71 65.71 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 116.188 -0.46 . . . . 33.450000000000003 111.485 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.52 -34.54 69.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.304 -0.628 . . . . 60.890000000000001 109.304 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -56.74 -39.21 62.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.071 0.462 . . . . 20.100000000000001 109.872 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 47.4 m -67.25 -25.99 66.35 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.65 0.611 . . . . 34.920000000000002 112.65 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -56.18 -50.67 70.53 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.68 -0.489 . . . . 78.299999999999997 109.68 177.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 18' ' ' ASP . . . -67.67 -38.95 90.44 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.332 -0.937 . . . . 16.940000000000001 111.846 176.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -47.95 -46.72 32.61 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 122.679 -0.307 . . . . 14.699999999999999 111.27 -177.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.32 -45.02 52.93 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 109.2 -1.56 . . . . 9.8699999999999992 109.2 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' B' ' 15' ' ' GLY . 6.9 m-20 -55.98 -46.97 78.52 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 120.995 0.426 . . . . 54.439999999999998 110.698 178.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mtp -55.85 -45.78 78.37 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.435 -0.802 . . . . 2.0 111.514 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -73.21 -34.67 66.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.585 -0.524 . . . . 12.1 109.585 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.88 -54.64 31.61 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 114.476 1.287 . . . . 43.280000000000001 114.476 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -53.12 -44.01 50.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 112.37 0.508 . . . . 29.18 112.37 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -49.93 28.47 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 114.719 0.647 . . . . 2.0 114.719 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.48 -38.81 51.8 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 120.715 -0.755 . . . . 10.41 114.384 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -65.48 -49.62 68.36 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 122.519 0.328 . . . . 112.90000000000001 110.687 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.67 -49.45 80.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 106.582 -1.636 . . . . 33.82 106.582 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 t -52.84 -39.47 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.385 -0.825 . . . . 35.229999999999997 110.803 177.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.9 -33.65 87.8 Favored Glycine 0 C--O 1.226 -0.365 0 N-CA-C 111.38 -0.688 . . . . 12.44 111.38 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.65 -45.08 39.18 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.237 -0.653 . . . . 13.970000000000001 109.237 177.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -40.83 48.73 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 121.075 -0.25 . . . . 4.5499999999999998 110.355 178.922 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.9 t -48.64 -31.93 3.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 114.403 1.26 . . . . 31.109999999999999 114.403 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.99 -38.86 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.424 -0.51 . . . . 2.0 112.008 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.8 -26.7 68.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 118.604 -1.239 . . . . 24.23 111.701 177.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.81 52.16 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 120.992 0.425 . . . . 48.969999999999999 109.95 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 79.4 t -84.72 -55.68 6.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.46 0.648 . . . . 81.480000000000004 109.92 175.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.21 -40.78 82.53 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.054 -0.975 . . . . 25.649999999999999 111.283 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' B' ' 40' ' ' TYR . . . -60.43 -40.58 97.83 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 120.899 -0.667 . . . . 2.0 112.379 176.621 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 46.8 mt -76.11 -29.48 57.9 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 122.214 -0.58 . . . . 2.0 109.604 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.1 -38.74 49.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 108.43 -0.952 . . . . 37.759999999999998 108.43 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' B' ' 37' ' ' GLY . 0.4 OUTLIER -54.73 -40.51 69.33 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.783 2.033 . . . . 82.810000000000002 107.658 176.118 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.7 m -83.69 -35.51 24.45 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.169 0.803 . . . . 37.530000000000001 113.169 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -53.61 -55.59 24.48 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.636 -0.876 . . . . 17.559999999999999 108.636 -177.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.74 -27.37 64.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 115.676 1.732 . . . . 2.0 115.676 -176.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -85.03 -45.13 12.42 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.685 0.624 . . . . 160.78999999999999 112.685 173.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -73.69 -53.46 10.34 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.881 1.437 . . . . 30.32 114.881 -177.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 N-CA-C 115.377 1.621 . . . . 74.75 115.377 -176.857 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.031 0 N-CA-C 110.163 -1.175 . . . . 167.0 110.163 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' VAL . . . . . 0.722 HG22 ' H ' ' C' ' 3' ' ' ILE . 11.7 p 178.43 -152.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 101.595 -3.483 . . . . 56.25 101.595 -178.202 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ILE . . . . . 0.722 ' H ' HG22 ' C' ' 2' ' ' VAL . 20.6 mm -152.65 117.93 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 105.126 -2.175 . . . . 48.490000000000002 105.126 -179.125 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -77.01 82.2 3.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 113.165 -1.834 . . . . 115.06999999999999 112.167 -170.627 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' THR . . . . . 0.741 HG23 ' HB ' ' C' ' 8' ' ' VAL . 55.7 m -97.39 49.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 105.572 -2.01 . . . . 21.98 105.572 176.155 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -75.12 -59.2 2.84 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.193 -0.912 . . . . 69.790000000000006 109.65 -175.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.43 -30.55 61.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.837 -0.619 . . . . 23.09 109.829 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' VAL . . . . . 0.741 ' HB ' HG23 ' C' ' 5' ' ' THR . 21.8 t -68.28 -24.57 29.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.965 -0.561 . . . . 23.960000000000001 111.447 -178.655 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' C' ' 5' ' ' THR . 28.9 mt-10 -65.41 -57.93 7.11 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.457 -0.897 . . . . 57.079999999999998 109.06 175.049 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 24.8 p -64.97 -25.05 67.7 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 120.877 0.37 . . . . 33.450000000000003 111.114 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.45 69.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.399 -0.819 . . . . 60.890000000000001 110.422 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.17 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 119.906 -0.718 . . . . 20.100000000000001 110.726 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -68.3 -29.28 68.01 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.737 -0.385 . . . . 34.920000000000002 111.673 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -54.9 -50.47 68.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.094 0.473 . . . . 78.299999999999997 109.861 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.51 -39.1 93.9 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.644 -0.707 . . . . 16.940000000000001 111.875 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -49.16 -45.6 44.09 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.636 1.347 . . . . 14.699999999999999 114.636 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLY . . . . . 0.453 ' HA2' ' HE2' ' C' ' 20' ' ' LYS . . . -55.36 -43.06 84.73 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.037 -1.625 . . . . 9.8699999999999992 109.037 -179.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -65.23 -33.28 75.62 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.622 0.601 . . . . 54.439999999999998 112.622 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' MET . . . . . . . . . . . . . 6.1 mmt -62.85 -42.87 99.91 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.185 0.517 . . . . 2.0 110.334 175.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' LYS . . . . . 0.453 ' HE2' ' HA2' ' C' ' 17' ' ' GLY . 12.8 mtmm -68.18 -43.11 78.89 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.139 -1.059 . . . . 12.1 108.139 178.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.85 66.75 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 116.689 2.107 . . . . 43.280000000000001 116.689 -173.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.89 -40.53 80.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 112.566 0.58 . . . . 29.18 112.566 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.29 -49.1 32.23 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 114.708 0.643 . . . . 2.0 114.708 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.32 -40.16 60.27 Favored Glycine 0 C--O 1.241 0.545 0 C-N-CA 121.062 -0.589 . . . . 10.41 114.273 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -70.77 -43.39 68.85 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.225 0.454 . . . . 112.90000000000001 112.225 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 43.1 mm -62.33 -51.64 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 109.091 -0.707 . . . . 33.82 109.091 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' VAL . . . . . 0.666 ' HA ' HD22 ' C' ' 30' ' ' LEU . 97.8 t -60.49 -29.06 43.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.562 -0.745 . . . . 35.229999999999997 110.737 -179.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.79 -35.52 91.03 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.628 -0.989 . . . . 12.44 110.628 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.93 -46.64 42.96 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.537 -0.542 . . . . 13.970000000000001 109.537 177.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' C' ' 27' ' ' VAL . 0.2 OUTLIER -50.44 -37.05 36.11 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.421 -0.585 . . . . 4.5499999999999998 109.421 -179.958 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 31' ' ' VAL . . . . . 0.424 HG23 ' O ' ' C' ' 27' ' ' VAL . 45.5 t -50.4 -34.98 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 115.369 1.618 . . . . 31.109999999999999 115.369 179.077 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.17 -37.6 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.328 0.585 . . . . 2.0 109.819 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' LEU . . . . . 0.438 ' H ' ' CD2' ' C' ' 33' ' ' LEU . 0.5 OUTLIER -60.03 -33.13 71.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.798 -0.637 . . . . 24.23 109.704 -179.066 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 34' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' C' ' 38' ' ' LEU . . . -79.55 -25.08 41.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.296 0.569 . . . . 48.969999999999999 111.619 -178.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -84.08 -58.3 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.664 0.745 . . . . 81.480000000000004 109.517 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.12 77.96 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.534 -1.212 . . . . 25.649999999999999 110.027 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.67 -38.79 92.45 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.374 -1.49 . . . . 2.0 109.374 -177.596 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' C' ' 34' ' ' ALA . 49.7 mt -81.67 -21.9 37.82 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 112.672 0.619 . . . . 2.0 112.672 -176.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 39' ' ' ILE . . . . . 0.458 ' HA ' ' CB ' ' C' ' 42' ' ' MET . 49.0 mt -82.74 -28.21 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 116.01 -0.541 . . . . 37.759999999999998 111.559 172.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -59.19 -43.18 92.21 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.362 3.065 . . . . 82.810000000000002 105.126 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 19.4 m -80.65 -39.23 27.71 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.047 -0.979 . . . . 37.530000000000001 110.172 174.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' MET . . . . . 0.458 ' CB ' ' HA ' ' C' ' 39' ' ' ILE . 38.3 tpp -48.71 -54.06 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.945 -0.302 . . . . 17.559999999999999 111.167 -177.689 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.47 -22.26 66.91 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 117.153 2.279 . . . . 2.0 117.153 -177.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -87.29 -43.61 12.04 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.347 0.869 . . . . 160.78999999999999 113.347 168.844 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -78.48 -52.53 8.39 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.187 1.18 . . . . 30.32 114.187 -174.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.24 0 N-CA-C 114.684 1.364 . . . . 74.75 114.684 -178.211 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 110.83 -0.908 . . . . 167.0 110.83 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 3' ' ' ILE . 11.0 p 179.51 -153.61 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 N-CA-C 103.048 -2.945 . . . . 56.25 103.048 -177.841 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.681 ' H ' HG22 ' A' ' 2' ' ' VAL . 45.7 mt -151.56 117.04 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.508 -0.665 0 N-CA-C 104.139 -2.541 . . . . 48.490000000000002 104.139 178.63 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -74.98 83.79 2.24 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 113.276 -1.784 . . . . 115.06999999999999 110.698 -173.773 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.653 ' CG2' ' HB ' ' A' ' 8' ' ' VAL . 32.2 m -99.02 48.29 0.96 Allowed 'General case' 0 C--O 1.24 0.59 0 N-CA-C 104.939 -2.245 . . . . 21.98 104.939 176.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -74.9 -58.75 3.09 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.459 -0.792 . . . . 69.790000000000006 111.759 -174.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -75.19 -28.2 59.93 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 108.869 -0.789 . . . . 23.09 108.869 179.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.653 ' HB ' ' CG2' ' A' ' 5' ' ' THR . 21.6 t -64.53 -32.5 58.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.316 -0.856 . . . . 23.960000000000001 109.849 -179.697 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -63.8 -55.99 18.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 119.416 -0.913 . . . . 57.079999999999998 110.894 176.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 p -65.26 -25.73 67.79 Favored 'General case' 0 C--O 1.25 1.093 0 CA-C-O 120.7 0.286 . . . . 33.450000000000003 111.328 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.44 -38.62 69.26 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-N 115.577 -0.738 . . . . 60.890000000000001 110.128 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 14.1 mt -56.94 -36.11 49.33 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.951 -0.759 . . . . 20.100000000000001 108.951 -177.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -63.04 -33.45 75.47 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 112.26 0.467 . . . . 34.920000000000002 112.26 179.315 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -55.52 -48.49 74.58 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 123.495 0.497 . . . . 78.299999999999997 111.335 -179.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.46 -39.1 87.35 Favored Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.225 -1.15 . . . . 16.940000000000001 110.225 176.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -49.87 -41.89 46.45 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 113.141 0.793 . . . . 14.699999999999999 113.141 -178.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -55.19 -43.18 83.86 Favored Glycine 0 C--O 1.24 0.48 0 N-CA-C 109.411 -1.476 . . . . 9.8699999999999992 109.411 178.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.52 ' O ' HG12 ' A' ' 22' ' ' ILE . 5.3 m-20 -58.4 -42.93 88.25 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 114.976 -0.612 . . . . 54.439999999999998 109.634 179.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 37.4 mtt -56.83 -47.72 79.68 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 123.931 0.892 . . . . 2.0 112.769 179.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 mtpp -69.65 -38.26 77.06 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.365 -0.606 . . . . 12.1 109.365 178.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.01 -53.81 48.02 Favored 'General case' 0 C--O 1.224 -0.257 0 N-CA-C 115.529 1.677 . . . . 43.280000000000001 115.529 -176.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 18' ' ' ASP . 11.0 mm -57.57 -41.87 79.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.894 -0.322 . . . . 29.18 110.294 -174.814 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.63 -48.54 35.55 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 115.798 1.079 . . . . 2.0 115.798 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -51.98 -35.53 40.71 Favored Glycine 0 C--O 1.244 0.745 0 CA-C-N 117.504 0.652 . . . . 10.41 112.768 -178.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -82.36 -30.98 30.02 Favored 'General case' 0 CA--C 1.498 -1.035 0 N-CA-C 114.943 1.461 . . . . 112.90000000000001 114.943 -175.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 28.9 mt -67.88 -53.54 29.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.585 0 N-CA-C 105.777 -1.935 . . . . 33.82 105.777 172.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.825 ' HA ' HD12 ' A' ' 30' ' ' LEU . 88.7 t -60.74 -27.46 40.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.026 -0.533 . . . . 35.229999999999997 111.844 -175.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -68.51 -32.41 75.06 Favored Glycine 0 C--O 1.221 -0.705 0 N-CA-C 109.111 -1.595 . . . . 12.44 109.111 173.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -76.64 -42.25 42.76 Favored 'General case' 0 C--O 1.242 0.684 0 O-C-N 122.327 -0.514 . . . . 13.970000000000001 110.318 175.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' A' ' 27' ' ' VAL . 7.1 mt -48.39 -43.96 34.37 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 120.99 0.424 . . . . 4.5499999999999998 111.511 175.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 4.7 t -48.82 -32.88 4.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 114.35 1.241 . . . . 31.109999999999999 114.35 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.47 -43.79 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.319 0.581 . . . . 2.0 110.403 177.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.33 -33.35 71.02 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.312 -0.858 . . . . 24.23 111.353 -179.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.531 ' O ' HD13 ' A' ' 38' ' ' LEU . . . -78.42 -25.37 46.04 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-O 120.972 0.415 . . . . 48.969999999999999 111.38 -178.837 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 55.1 t -83.32 -58.57 3.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 108.825 -0.805 . . . . 81.480000000000004 108.825 176.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -57.44 -39.61 76.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.385 -0.825 . . . . 25.649999999999999 112.167 -177.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -65.72 -36.35 92.19 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 121.411 -0.424 . . . . 2.0 112.128 177.614 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.531 HD13 ' O ' ' A' ' 34' ' ' ALA . 7.9 mp -79.83 -23.46 42.02 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 117.416 0.608 . . . . 2.0 110.554 177.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 26.1 mm -72.98 -41.33 59.94 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.999 0 CA-C-N 116.101 -0.499 . . . . 37.759999999999998 110.632 173.162 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -56.03 -39.65 72.29 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 128.421 2.689 . . . . 82.810000000000002 109.127 174.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.6 m -79.13 -42.0 27.26 Favored 'General case' 0 C--O 1.241 0.632 0 CA-C-N 114.901 -1.045 . . . . 37.530000000000001 109.999 175.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 13.1 tpt -52.73 -56.58 14.57 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 115.321 -0.854 . . . . 17.559999999999999 111.582 -176.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 mt -60.17 -21.47 61.72 Favored 'General case' 0 C--O 1.239 0.538 0 N-CA-C 118.651 2.834 . . . . 2.0 118.651 178.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.98 -44.57 10.91 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 114.448 1.277 . . . . 160.78999999999999 114.448 167.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 52.8 tptt -76.31 -52.77 9.29 Favored 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 116.3 1.963 . . . . 30.32 116.3 -176.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 N-CA-C 114.299 1.222 . . . . 74.75 114.299 -178.939 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 110.709 -0.957 . . . . 167.0 110.709 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.68 HG22 ' H ' ' B' ' 3' ' ' ILE . 11.1 p 179.85 -154.57 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 102.592 -3.114 . . . . 56.25 102.592 -177.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.68 ' H ' HG22 ' B' ' 2' ' ' VAL . 15.8 mm -151.97 115.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 103.778 -2.675 . . . . 48.490000000000002 103.778 -178.004 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -75.52 80.85 2.54 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 113.052 -1.886 . . . . 115.06999999999999 111.231 -170.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . 0.633 HG23 ' HB ' ' B' ' 8' ' ' VAL . 91.2 m -98.51 47.94 0.99 Allowed 'General case' 0 C--O 1.241 0.638 0 N-CA-C 107.006 -1.479 . . . . 21.98 107.006 177.915 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' SER . . . . . . . . . . . . . 12.9 m -73.47 -58.15 3.51 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 114.198 -1.365 . . . . 69.790000000000006 110.572 -172.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.76 49.37 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.735 -0.666 . . . . 23.09 110.025 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.633 ' HB ' HG23 ' B' ' 5' ' ' THR . 83.9 t -69.02 -23.6 27.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.75 -0.38 . . . . 23.960000000000001 110.51 179.338 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' B' ' 5' ' ' THR . 61.5 mt-10 -64.64 -58.2 6.98 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.957 -0.697 . . . . 57.079999999999998 109.285 175.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 13.2 p -67.27 -23.71 65.71 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 116.188 -0.46 . . . . 33.450000000000003 111.485 -179.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.52 -34.54 69.22 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 109.304 -0.628 . . . . 60.890000000000001 109.304 178.618 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -56.74 -39.21 62.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.582 0 CA-C-O 121.071 0.462 . . . . 20.100000000000001 109.872 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' THR . . . . . . . . . . . . . 47.4 m -67.25 -25.99 66.35 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 112.65 0.611 . . . . 34.920000000000002 112.65 179.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -56.18 -50.67 70.53 Favored 'General case' 0 CA--C 1.513 -0.452 0 N-CA-C 109.68 -0.489 . . . . 78.299999999999997 109.68 177.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' B' ' 18' ' ' ASP . . . -67.67 -38.95 90.44 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.332 -0.937 . . . . 16.940000000000001 111.846 176.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -47.95 -46.72 32.61 Favored 'General case' 0 CA--C 1.508 -0.639 0 O-C-N 122.679 -0.307 . . . . 14.699999999999999 111.27 -177.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -51.32 -45.02 52.93 Favored Glycine 0 N--CA 1.45 -0.419 0 N-CA-C 109.2 -1.56 . . . . 9.8699999999999992 109.2 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' B' ' 15' ' ' GLY . 6.9 m-20 -55.98 -46.97 78.52 Favored 'General case' 0 C--O 1.247 0.923 0 CA-C-O 120.995 0.426 . . . . 54.439999999999998 110.698 178.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' MET . . . . . . . . . . . . . 7.7 mtp -55.85 -45.78 78.37 Favored 'General case' 0 CA--C 1.52 -0.209 0 CA-C-N 115.435 -0.802 . . . . 2.0 111.514 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 mttm -73.21 -34.67 66.07 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.585 -0.524 . . . . 12.1 109.585 -179.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.88 -54.64 31.61 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 114.476 1.287 . . . . 43.280000000000001 114.476 -178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -53.12 -44.01 50.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 N-CA-C 112.37 0.508 . . . . 29.18 112.37 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.0 -49.93 28.47 Favored Glycine 0 N--CA 1.448 -0.524 0 N-CA-C 114.719 0.647 . . . . 2.0 114.719 -177.664 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . -52.48 -38.81 51.8 Favored Glycine 0 C--N 1.329 0.174 0 C-N-CA 120.715 -0.755 . . . . 10.41 114.384 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -65.48 -49.62 68.36 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 122.519 0.328 . . . . 112.90000000000001 110.687 -179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 32.8 mt -64.67 -49.45 80.24 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.376 0 N-CA-C 106.582 -1.636 . . . . 33.82 106.582 -177.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 8.1 t -52.84 -39.47 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 115.385 -0.825 . . . . 35.229999999999997 110.803 177.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . -64.9 -33.65 87.8 Favored Glycine 0 C--O 1.226 -0.365 0 N-CA-C 111.38 -0.688 . . . . 12.44 111.38 177.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -75.65 -45.08 39.18 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.237 -0.653 . . . . 13.970000000000001 109.237 177.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.23 -40.83 48.73 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 121.075 -0.25 . . . . 4.5499999999999998 110.355 178.922 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 40.9 t -48.64 -31.93 3.95 Favored 'Isoleucine or valine' 0 C--O 1.238 0.498 0 N-CA-C 114.403 1.26 . . . . 31.109999999999999 114.403 -179.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.99 -38.86 83.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.423 0 C-N-CA 120.424 -0.51 . . . . 2.0 112.008 179.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.8 -26.7 68.75 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 118.604 -1.239 . . . . 24.23 111.701 177.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.39 -26.81 52.16 Favored 'General case' 0 CA--C 1.51 -0.559 0 CA-C-O 120.992 0.425 . . . . 48.969999999999999 109.95 -179.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 79.4 t -84.72 -55.68 6.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.587 0 CA-C-O 121.46 0.648 . . . . 81.480000000000004 109.92 175.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -58.21 -40.78 82.53 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.054 -0.975 . . . . 25.649999999999999 111.283 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.434 ' O ' ' HB3' ' B' ' 40' ' ' TYR . . . -60.43 -40.58 97.83 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 120.899 -0.667 . . . . 2.0 112.379 176.621 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 46.8 mt -76.11 -29.48 57.9 Favored 'General case' 0 CA--C 1.507 -0.708 0 O-C-N 122.214 -0.58 . . . . 2.0 109.604 -179.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 73.0 mt -74.1 -38.74 49.38 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 N-CA-C 108.43 -0.952 . . . . 37.759999999999998 108.43 176.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' B' ' 37' ' ' GLY . 0.4 OUTLIER -54.73 -40.51 69.33 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 126.783 2.033 . . . . 82.810000000000002 107.658 176.118 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 19.7 m -83.69 -35.51 24.45 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 113.169 0.803 . . . . 37.530000000000001 113.169 175.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 1.2 tmt? -53.61 -55.59 24.48 Favored 'General case' 0 C--O 1.219 -0.522 0 N-CA-C 108.636 -0.876 . . . . 17.559999999999999 108.636 -177.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.1 mt -58.74 -27.37 64.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 115.676 1.732 . . . . 2.0 115.676 -176.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -85.03 -45.13 12.42 Favored 'General case' 0 C--O 1.239 0.513 0 N-CA-C 112.685 0.624 . . . . 160.78999999999999 112.685 173.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 tmtm? -73.69 -53.46 10.34 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.881 1.437 . . . . 30.32 114.881 -177.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.123 0 N-CA-C 115.377 1.621 . . . . 74.75 115.377 -176.857 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.031 0 N-CA-C 110.163 -1.175 . . . . 167.0 110.163 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' VAL . . . . . 0.722 HG22 ' H ' ' C' ' 3' ' ' ILE . 11.7 p 178.43 -152.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.429 0 N-CA-C 101.595 -3.483 . . . . 56.25 101.595 -178.202 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.722 ' H ' HG22 ' C' ' 2' ' ' VAL . 20.6 mm -152.65 117.93 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.511 -0.533 0 N-CA-C 105.126 -2.175 . . . . 48.490000000000002 105.126 -179.125 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -77.01 82.2 3.53 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 113.165 -1.834 . . . . 115.06999999999999 112.167 -170.627 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' THR . . . . . 0.741 HG23 ' HB ' ' C' ' 8' ' ' VAL . 55.7 m -97.39 49.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 105.572 -2.01 . . . . 21.98 105.572 176.155 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -75.12 -59.2 2.84 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.193 -0.912 . . . . 69.790000000000006 109.65 -175.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.43 -30.55 61.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.837 -0.619 . . . . 23.09 109.829 -179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' VAL . . . . . 0.741 ' HB ' HG23 ' C' ' 5' ' ' THR . 21.8 t -68.28 -24.57 29.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.965 -0.561 . . . . 23.960000000000001 111.447 -178.655 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' C' ' 5' ' ' THR . 28.9 mt-10 -65.41 -57.93 7.11 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.457 -0.897 . . . . 57.079999999999998 109.06 175.049 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 24.8 p -64.97 -25.05 67.7 Favored 'General case' 0 C--O 1.248 1.01 0 CA-C-O 120.877 0.37 . . . . 33.450000000000003 111.114 -179.178 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 -35.45 69.25 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.399 -0.819 . . . . 60.890000000000001 110.422 179.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.3 mt -64.17 -29.0 46.14 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 C-N-CA 119.906 -0.718 . . . . 20.100000000000001 110.726 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -68.3 -29.28 68.01 Favored 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 120.737 -0.385 . . . . 34.920000000000002 111.673 175.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ASP . . . . . . . . . . . . . 50.8 m-20 -54.9 -50.47 68.69 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.094 0.473 . . . . 78.299999999999997 109.861 177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . -66.51 -39.1 93.9 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.644 -0.707 . . . . 16.940000000000001 111.875 177.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -49.16 -45.6 44.09 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 114.636 1.347 . . . . 14.699999999999999 114.636 179.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLY . . . . . 0.453 ' HA2' ' HE2' ' C' ' 20' ' ' LYS . . . -55.36 -43.06 84.73 Favored Glycine 0 N--CA 1.448 -0.542 0 N-CA-C 109.037 -1.625 . . . . 9.8699999999999992 109.037 -179.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -65.23 -33.28 75.62 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 112.622 0.601 . . . . 54.439999999999998 112.622 177.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' MET . . . . . . . . . . . . . 6.1 mmt -62.85 -42.87 99.91 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 121.185 0.517 . . . . 2.0 110.334 175.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' LYS . . . . . 0.453 ' HE2' ' HA2' ' C' ' 17' ' ' GLY . 12.8 mtmm -68.18 -43.11 78.89 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.139 -1.059 . . . . 12.1 108.139 178.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.66 -51.85 66.75 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 116.689 2.107 . . . . 43.280000000000001 116.689 -173.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 63.4 mt -58.89 -40.53 80.44 Favored 'Isoleucine or valine' 0 C--O 1.239 0.521 0 N-CA-C 112.566 0.58 . . . . 29.18 112.566 -179.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' GLY . . . . . . . . . . . . . . . -49.29 -49.1 32.23 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 114.708 0.643 . . . . 2.0 114.708 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -53.32 -40.16 60.27 Favored Glycine 0 C--O 1.241 0.545 0 C-N-CA 121.062 -0.589 . . . . 10.41 114.273 -179.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -70.77 -43.39 68.85 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.225 0.454 . . . . 112.90000000000001 112.225 -178.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 43.1 mm -62.33 -51.64 69.89 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.331 0 N-CA-C 109.091 -0.707 . . . . 33.82 109.091 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.666 ' HA ' HD22 ' C' ' 30' ' ' LEU . 97.8 t -60.49 -29.06 43.76 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-N 115.562 -0.745 . . . . 35.229999999999997 110.737 -179.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' GLY . . . . . . . . . . . . . . . -65.79 -35.52 91.03 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 110.628 -0.989 . . . . 12.44 110.628 175.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -73.93 -46.64 42.96 Favored 'General case' 0 C--O 1.239 0.516 0 N-CA-C 109.537 -0.542 . . . . 13.970000000000001 109.537 177.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' LEU . . . . . 0.666 HD22 ' HA ' ' C' ' 27' ' ' VAL . 0.2 OUTLIER -50.44 -37.05 36.11 Favored 'General case' 0 CA--C 1.512 -0.518 0 N-CA-C 109.421 -0.585 . . . . 4.5499999999999998 109.421 -179.958 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' VAL . . . . . 0.424 HG23 ' O ' ' C' ' 27' ' ' VAL . 45.5 t -50.4 -34.98 12.1 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.382 0 N-CA-C 115.369 1.618 . . . . 31.109999999999999 115.369 179.077 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mp -61.17 -37.6 77.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 121.328 0.585 . . . . 2.0 109.819 -179.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.438 ' H ' ' CD2' ' C' ' 33' ' ' LEU . 0.5 OUTLIER -60.03 -33.13 71.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.798 -0.637 . . . . 24.23 109.704 -179.066 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' ALA . . . . . 0.425 ' O ' ' HG ' ' C' ' 38' ' ' LEU . . . -79.55 -25.08 41.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.296 0.569 . . . . 48.969999999999999 111.619 -178.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' VAL . . . . . . . . . . . . . 98.0 t -84.08 -58.3 3.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.664 0.745 . . . . 81.480000000000004 109.517 176.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.12 77.96 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.534 -1.212 . . . . 25.649999999999999 110.027 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . -58.67 -38.79 92.45 Favored Glycine 0 N--CA 1.445 -0.762 0 N-CA-C 109.374 -1.49 . . . . 2.0 109.374 -177.596 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' C' ' 34' ' ' ALA . 49.7 mt -81.67 -21.9 37.82 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 112.672 0.619 . . . . 2.0 112.672 -176.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' ILE . . . . . 0.458 ' HA ' ' CB ' ' C' ' 42' ' ' MET . 49.0 mt -82.74 -28.21 8.4 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-N 116.01 -0.541 . . . . 37.759999999999998 111.559 172.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -59.19 -43.18 92.21 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 129.362 3.065 . . . . 82.810000000000002 105.126 175.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' SER . . . . . . . . . . . . . 19.4 m -80.65 -39.23 27.71 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 115.047 -0.979 . . . . 37.530000000000001 110.172 174.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' MET . . . . . 0.458 ' CB ' ' HA ' ' C' ' 39' ' ' ILE . 38.3 tpp -48.71 -54.06 16.39 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.945 -0.302 . . . . 17.559999999999999 111.167 -177.689 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 20.1 mt -64.47 -22.26 66.91 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 117.153 2.279 . . . . 2.0 117.153 -177.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptp180 -87.29 -43.61 12.04 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 113.347 0.869 . . . . 160.78999999999999 113.347 168.844 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -78.48 -52.53 8.39 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 114.187 1.18 . . . . 30.32 114.187 -174.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.24 0 N-CA-C 114.684 1.364 . . . . 74.75 114.684 -178.211 . . . . . . . . 0 0 . 1 stop_ save_