data_1j55_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 1j55 _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' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 105.035 -2.209 . . . . 32.88 105.035 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.1 p -80.84 172.52 13.64 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 123.731 0.644 . . . . 20.27 110.558 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.54 -43.53 93.68 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 118.868 -1.133 . . . . 19.66 111.694 178.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.4 tp -70.04 -40.13 75.33 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 120.879 -0.328 . . . . 18.2 111.056 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -63.6 -35.93 82.14 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 119.365 -0.934 . . . . 24.27 109.333 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.1 m -64.94 -41.8 95.2 Favored 'General case' 0 C--O 1.257 1.462 0 CA-C-N 115.945 -0.571 . . . . 17.51 110.024 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.18 97.04 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.839 -0.8 . . . . 15.13 108.839 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 mtp -62.46 -41.56 98.85 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 120.301 -0.56 . . . . 24.28 110.503 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.41 -31.67 81.09 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 118.537 -1.792 . . . . 16.65 111.382 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.9 ttm -69.3 -34.49 74.78 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.991 -0.604 . . . . 27.36 112.387 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 97.4 mt -71.33 -41.58 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 107.311 -1.366 . . . . 19.9 107.311 179.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -61.79 -40.28 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 118.575 -1.25 . . . . 16.81 109.234 178.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.26 -50.96 71.58 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 107.705 -1.22 . . . . 20.49 107.705 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -55.42 -51.72 54.02 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 C-N-CA 120.223 -0.591 . . . . 16.99 110.623 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -53.76 -47.51 70.61 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 115.132 1.53 . . . . 18.84 115.132 179.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.6 p -63.67 -29.31 70.55 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 113.044 0.757 . . . . 27.05 113.044 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -67.63 -18.25 64.9 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.796 1.036 . . . . 34.93 113.796 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -119.5 -12.01 9.39 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 115.552 1.686 . . . . 21.52 115.552 -177.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -87.9 -1.98 58.32 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 114.982 1.475 . . . . 20.83 114.982 -175.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.7 1.8 55.63 Favored Glycine 0 C--O 1.21 -1.386 0 N-CA-C 119.326 2.49 . . . . 24.16 119.326 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -82.86 -18.97 38.45 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.563 1.682 . . . . 30.83 115.069 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -158.62 149.96 20.76 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 120.921 -1.112 . . . . 27.46 112.431 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.99 -148.8 42.38 Favored Glycine 0 C--O 1.211 -1.29 0 N-CA-C 109.991 -1.244 . . . . 20.42 109.991 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t -57.39 138.09 55.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.333 0.567 . . . . 21.24 111.619 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.4 p -78.27 -5.03 50.77 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 109.561 -0.533 . . . . 21.31 109.561 178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -103.77 3.1 33.69 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 119.886 -0.725 . . . . 31.23 112.722 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . 0.461 ' OG1' ' NE2' ' A' ' 68' ' ' GLN . 14.2 p -138.6 164.62 29.01 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 117.419 -1.712 . . . . 15.99 112.701 179.214 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.2 mt -104.56 127.95 52.42 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.01 -0.995 . . . . 15.94 109.334 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.1 p -87.27 -178.07 6.12 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 101.385 -3.561 . . . . 15.21 101.385 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -63.39 -37.09 85.94 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 122.034 0.921 . . . . 29.9 109.047 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.4 -44.36 90.56 Favored Glycine 0 C--O 1.247 0.967 0 C-N-CA 119.412 -1.375 . . . . 15.5 113.385 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -65.5 -40.85 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.962 -0.385 . . . . 16.98 109.962 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.4 -43.03 99.58 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 109.976 -0.379 . . . . 16.28 109.976 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -55.8 -47.79 76.53 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.686 -0.634 . . . . 26.36 109.829 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.46 -47.77 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.742 -0.208 . . . . 19.37 111.007 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.3 tt -55.9 -44.87 78.62 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 119.779 -0.768 . . . . 17.45 110.993 177.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 98.0 mmm -64.45 -44.62 90.57 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 114.581 1.326 . . . . 18.1 114.581 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -65.36 -34.34 78.1 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.821 0.737 . . . . 31.72 111.042 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -86.46 -36.0 19.32 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 117.279 2.325 . . . . 31.64 117.279 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -103.89 -29.95 10.64 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 116.875 2.176 . . . . 20.57 116.875 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -129.22 53.33 11.25 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 108.396 -0.964 . . . . 18.26 108.396 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -56.95 141.92 93.64 Favored 'Trans proline' 0 C--N 1.355 0.894 0 O-C-N 122.36 0.663 . . . . 26.37 111.931 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.53 -11.71 54.81 Favored Glycine 0 C--O 1.217 -0.944 0 CA-C-N 114.789 -1.096 . . . . 29.95 113.842 178.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -65.29 -44.57 87.57 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 118.466 1.133 . . . . 30.55 112.39 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 108.688 -0.856 . . . . 35.35 108.688 178.683 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.032 0 CA-C-O 123.183 1.468 . . . . 46.6 113.218 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -44.68 -42.78 7.85 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 117.63 2.455 . . . . 35.21 117.63 -176.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.16 -43.26 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 120.042 -0.663 . . . . 30.96 112.364 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -67.76 -38.55 83.59 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 119.437 -0.905 . . . . 33.23 109.332 -179.618 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -65.97 -38.84 89.6 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 108.753 -0.832 . . . . 36.83 108.753 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -47.34 86.11 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.19 -1.041 . . . . 21.34 108.19 -179.197 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.22 -44.91 92.28 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 118.52 -1.272 . . . . 23.2 111.867 -178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -61.83 -32.94 73.3 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.057 -0.52 . . . . 33.19 110.434 179.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -70.2 -41.06 74.18 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.199 0.523 . . . . 22.41 112.229 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.19 -29.14 31.64 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 115.899 1.814 . . . . 20.37 115.899 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -63.1 100.48 0.22 Allowed 'General case' 0 C--O 1.198 -1.639 0 CA-C-N 115.657 -0.701 . . . . 21.55 111.129 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.8 -22.11 29.67 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.736 1.013 . . . . 25.43 113.736 179.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -108.22 7.15 27.27 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 115.269 1.581 . . . . 28.71 115.269 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.7 27.65 73.36 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 119.598 2.599 . . . . 25.05 119.598 177.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 31.0 p30 -96.04 6.7 48.25 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.188 1.494 . . . . 21.98 111.177 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 67.69 21.05 9.41 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.759 1.392 . . . . 21.65 114.759 179.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLN . . . . . 0.461 ' NE2' ' OG1' ' A' ' 27' ' ' THR . 17.1 mt-30 -139.71 159.51 42.0 Favored 'General case' 0 C--O 1.253 1.266 0 N-CA-C 108.783 -0.821 . . . . 26.87 108.783 179.129 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 36.0 t -108.73 115.17 48.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 O-C-N 124.011 0.819 . . . . 13.27 109.214 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -92.41 179.3 5.57 Favored 'General case' 0 C--O 1.256 1.414 0 C-N-CA 119.201 -1.0 . . . . 17.57 108.729 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -61.81 -42.18 98.69 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 117.06 -1.856 . . . . 16.61 114.659 -177.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 m -57.63 -46.14 84.52 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-N 119.2 0.909 . . . . 21.44 111.505 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -63.2 -41.39 99.15 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.44 1.087 . . . . 17.07 110.593 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -65.08 -47.92 75.55 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.356 -0.838 . . . . 16.53 112.196 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 tp -66.58 -28.18 42.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 O-C-N 120.535 -1.353 . . . . 18.99 111.925 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 t -66.89 -39.45 83.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 106.589 -1.634 . . . . 20.41 106.589 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -64.03 -46.3 85.06 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-N 115.874 -0.603 . . . . 21.49 111.884 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.1 t -58.33 -41.04 80.25 Favored 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-O 121.474 0.654 . . . . 16.3 111.347 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.28 96.82 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.542 -0.754 . . . . 16.47 111.994 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.62 80.03 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 123.741 0.651 . . . . 18.56 110.354 -178.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.59 -45.8 93.75 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 CA-C-O 121.626 0.727 . . . . 24.25 110.336 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -63.49 -43.33 97.57 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.068 -0.514 . . . . 14.99 110.323 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.9 t -62.25 -39.68 93.66 Favored 'General case' 0 C--O 1.21 -0.994 0 C-N-CA 120.776 -0.37 . . . . 21.34 110.064 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.97 89.33 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 120.421 -0.511 . . . . 18.76 110.418 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 85.4 m -64.12 -48.01 77.75 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 122.009 -0.432 . . . . 26.65 110.767 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -64.18 -38.65 91.81 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 112.563 0.579 . . . . 16.44 112.563 -179.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.5 ttpt -64.63 -36.73 85.19 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 122.348 1.07 . . . . 32.29 110.536 178.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -64.72 -45.9 84.58 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 118.993 -1.083 . . . . 25.83 112.744 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -76.79 -22.61 53.45 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 119.55 -0.86 . . . . 27.96 111.758 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.59 -43.23 97.55 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 106.846 -1.538 . . . . 30.73 106.846 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -38.71 62.5 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 112.956 0.724 . . . . 37.1 112.956 179.199 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.22 -19.81 48.69 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.848 -1.168 . . . . 30.89 107.848 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.47 5.95 2.79 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 120.512 2.965 . . . . 38.14 120.512 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.6 tp . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 112.301 0.482 . . . . 44.93 112.301 173.798 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 105.035 -2.209 . . . . 32.880000000000003 105.035 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.1 p -80.84 172.52 13.64 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 123.731 0.644 . . . . 20.27 110.558 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.54 -43.53 93.68 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 118.868 -1.133 . . . . 19.66 111.694 178.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.4 tp -70.04 -40.13 75.33 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 120.879 -0.328 . . . . 18.199999999999999 111.056 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -63.6 -35.93 82.14 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 119.365 -0.934 . . . . 24.27 109.333 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.1 m -64.94 -41.8 95.2 Favored 'General case' 0 C--O 1.257 1.462 0 CA-C-N 115.945 -0.571 . . . . 17.510000000000002 110.024 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.18 97.04 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.839 -0.8 . . . . 15.130000000000001 108.839 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 mtp -62.46 -41.56 98.85 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 120.301 -0.56 . . . . 24.280000000000001 110.503 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.41 -31.67 81.09 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 118.537 -1.792 . . . . 16.649999999999999 111.382 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.9 ttm -69.3 -34.49 74.78 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.991 -0.604 . . . . 27.359999999999999 112.387 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . 0.622 HG21 HD12 ' A' ' 75' ' ' ILE . 97.4 mt -71.33 -41.58 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 107.311 -1.366 . . . . 19.899999999999999 107.311 179.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -61.79 -40.28 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 118.575 -1.25 . . . . 16.809999999999999 109.234 178.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.26 -50.96 71.58 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 107.705 -1.22 . . . . 20.489999999999998 107.705 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -55.42 -51.72 54.02 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 C-N-CA 120.223 -0.591 . . . . 16.989999999999998 110.623 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -53.76 -47.51 70.61 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 115.132 1.53 . . . . 18.84 115.132 179.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.6 p -63.67 -29.31 70.55 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 113.044 0.757 . . . . 27.050000000000001 113.044 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -67.63 -18.25 64.9 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.796 1.036 . . . . 34.93 113.796 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -119.5 -12.01 9.39 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 115.552 1.686 . . . . 21.52 115.552 -177.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -87.9 -1.98 58.32 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 114.982 1.475 . . . . 20.829999999999998 114.982 -175.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.7 1.8 55.63 Favored Glycine 0 C--O 1.21 -1.386 0 N-CA-C 119.326 2.49 . . . . 24.16 119.326 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -82.86 -18.97 38.45 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.563 1.682 . . . . 30.829999999999998 115.069 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -158.62 149.96 20.76 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 120.921 -1.112 . . . . 27.460000000000001 112.431 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.99 -148.8 42.38 Favored Glycine 0 C--O 1.211 -1.29 0 N-CA-C 109.991 -1.244 . . . . 20.420000000000002 109.991 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t -57.39 138.09 55.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.333 0.567 . . . . 21.239999999999998 111.619 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.4 p -78.27 -5.03 50.77 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 109.561 -0.533 . . . . 21.309999999999999 109.561 178.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -103.77 3.1 33.69 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 119.886 -0.725 . . . . 31.23 112.722 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.2 p -138.6 164.62 29.01 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 117.419 -1.712 . . . . 15.99 112.701 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.2 mt -104.56 127.95 52.42 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.01 -0.995 . . . . 15.94 109.334 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.1 p -87.27 -178.07 6.12 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 101.385 -3.561 . . . . 15.210000000000001 101.385 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -63.39 -37.09 85.94 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 122.034 0.921 . . . . 29.899999999999999 109.047 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.4 -44.36 90.56 Favored Glycine 0 C--O 1.247 0.967 0 C-N-CA 119.412 -1.375 . . . . 15.5 113.385 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -65.5 -40.85 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.962 -0.385 . . . . 16.98 109.962 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.4 -43.03 99.58 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 109.976 -0.379 . . . . 16.280000000000001 109.976 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -55.8 -47.79 76.53 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.686 -0.634 . . . . 26.359999999999999 109.829 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.46 -47.77 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.742 -0.208 . . . . 19.370000000000001 111.007 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . 0.448 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.3 tt -55.9 -44.87 78.62 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 119.779 -0.768 . . . . 17.449999999999999 110.993 177.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 98.0 mmm -64.45 -44.62 90.57 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 114.581 1.326 . . . . 18.100000000000001 114.581 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -65.36 -34.34 78.1 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.821 0.737 . . . . 31.719999999999999 111.042 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -86.46 -36.0 19.32 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 117.279 2.325 . . . . 31.640000000000001 117.279 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -103.89 -29.95 10.64 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 116.875 2.176 . . . . 20.57 116.875 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -129.22 53.33 11.25 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 108.396 -0.964 . . . . 18.260000000000002 108.396 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -56.95 141.92 93.64 Favored 'Trans proline' 0 C--N 1.355 0.894 0 O-C-N 122.36 0.663 . . . . 26.370000000000001 111.931 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.53 -11.71 54.81 Favored Glycine 0 C--O 1.217 -0.944 0 CA-C-N 114.789 -1.096 . . . . 29.949999999999999 113.842 178.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -65.29 -44.57 87.57 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 118.466 1.133 . . . . 30.550000000000001 112.39 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 108.688 -0.856 . . . . 35.350000000000001 108.688 178.683 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.032 0 CA-C-O 123.183 1.468 . . . . 46.600000000000001 113.218 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -44.68 -42.78 7.85 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 117.63 2.455 . . . . 35.210000000000001 117.63 -176.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.16 -43.26 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 120.042 -0.663 . . . . 30.960000000000001 112.364 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASP . . . . . 0.755 ' OD1' ' HD2' ' A' ' 59' ' ' LYS . 5.5 t70 -67.76 -38.55 83.59 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 119.437 -0.905 . . . . 33.229999999999997 109.332 -179.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -65.97 -38.84 89.6 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 108.753 -0.832 . . . . 36.829999999999998 108.753 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -47.34 86.11 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.19 -1.041 . . . . 21.34 108.19 -179.197 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.22 -44.91 92.28 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 118.52 -1.272 . . . . 23.199999999999999 111.867 -178.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . 0.755 ' HD2' ' OD1' ' A' ' 55' ' ' ASP . 14.3 mttt -61.83 -32.94 73.3 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.057 -0.52 . . . . 33.189999999999998 110.434 179.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -70.2 -41.06 74.18 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.199 0.523 . . . . 22.41 112.229 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.19 -29.14 31.64 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 115.899 1.814 . . . . 20.370000000000001 115.899 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -63.1 100.48 0.22 Allowed 'General case' 0 C--O 1.198 -1.639 0 CA-C-N 115.657 -0.701 . . . . 21.550000000000001 111.129 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.8 -22.11 29.67 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.736 1.013 . . . . 25.43 113.736 179.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -108.22 7.15 27.27 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 115.269 1.581 . . . . 28.710000000000001 115.269 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.7 27.65 73.36 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 119.598 2.599 . . . . 25.050000000000001 119.598 177.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 31.0 p30 -96.04 6.7 48.25 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.188 1.494 . . . . 21.98 111.177 177.056 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 66' ' ' ASP . . . 67.69 21.05 9.41 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.759 1.392 . . . . 21.649999999999999 114.759 179.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 34.5 mt-30 -139.71 159.51 42.0 Favored 'General case' 0 C--O 1.253 1.266 0 N-CA-C 108.783 -0.821 . . . . 26.870000000000001 108.783 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 36.0 t -108.73 115.17 48.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 O-C-N 124.011 0.819 . . . . 13.27 109.214 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -92.41 179.3 5.57 Favored 'General case' 0 C--O 1.256 1.414 0 C-N-CA 119.201 -1.0 . . . . 17.57 108.729 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -61.81 -42.18 98.69 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 117.06 -1.856 . . . . 16.609999999999999 114.659 -177.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 m -57.63 -46.14 84.52 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-N 119.2 0.909 . . . . 21.440000000000001 111.505 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -63.2 -41.39 99.15 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.44 1.087 . . . . 17.07 110.593 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -65.08 -47.92 75.55 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.356 -0.838 . . . . 16.530000000000001 112.196 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . 0.622 HD12 HG21 ' A' ' 11' ' ' ILE . 1.2 tp -66.58 -28.18 42.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 O-C-N 120.535 -1.353 . . . . 18.989999999999998 111.925 -177.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 t -66.89 -39.45 83.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 106.589 -1.634 . . . . 20.41 106.589 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -64.03 -46.3 85.06 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-N 115.874 -0.603 . . . . 21.489999999999998 111.884 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.1 t -58.33 -41.04 80.25 Favored 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-O 121.474 0.654 . . . . 16.300000000000001 111.347 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.28 96.82 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.542 -0.754 . . . . 16.469999999999999 111.994 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.62 80.03 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 123.741 0.651 . . . . 18.559999999999999 110.354 -178.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.59 -45.8 93.75 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 CA-C-O 121.626 0.727 . . . . 24.25 110.336 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -63.49 -43.33 97.57 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.068 -0.514 . . . . 14.99 110.323 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.9 t -62.25 -39.68 93.66 Favored 'General case' 0 C--O 1.21 -0.994 0 C-N-CA 120.776 -0.37 . . . . 21.34 110.064 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.97 89.33 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 120.421 -0.511 . . . . 18.760000000000002 110.418 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 85.4 m -64.12 -48.01 77.75 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 122.009 -0.432 . . . . 26.649999999999999 110.767 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -64.18 -38.65 91.81 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 112.563 0.579 . . . . 16.440000000000001 112.563 -179.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 128' ' ' HOH . 2.5 ttpt -64.63 -36.73 85.19 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 122.348 1.07 . . . . 32.289999999999999 110.536 178.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -64.72 -45.9 84.58 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 118.993 -1.083 . . . . 25.829999999999998 112.744 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -76.79 -22.61 53.45 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 119.55 -0.86 . . . . 27.960000000000001 111.758 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.59 -43.23 97.55 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 106.846 -1.538 . . . . 30.73 106.846 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . 0.881 ' HA ' ' HE3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -74.61 -38.71 62.5 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 112.956 0.724 . . . . 37.100000000000001 112.956 179.199 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.22 -19.81 48.69 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.848 -1.168 . . . . 30.890000000000001 107.848 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.47 5.95 2.79 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 120.512 2.965 . . . . 38.140000000000001 120.512 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 94' ' ' LEU . 21.6 tp . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 112.301 0.482 . . . . 44.93 112.301 173.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . 0.489 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 105.035 -2.209 . . . . 32.880000000000003 105.035 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 71.1 p -80.84 172.52 13.64 Favored 'General case' 0 CA--C 1.506 -0.744 0 O-C-N 123.731 0.644 . . . . 20.27 110.558 -179.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -64.54 -43.53 93.68 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 118.868 -1.133 . . . . 19.66 111.694 178.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.4 tp -70.04 -40.13 75.33 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 120.879 -0.328 . . . . 18.199999999999999 111.056 -178.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 76.1 mt-10 -63.6 -35.93 82.14 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 119.365 -0.934 . . . . 24.27 109.333 177.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 82.1 m -64.94 -41.8 95.2 Favored 'General case' 0 C--O 1.257 1.462 0 CA-C-N 115.945 -0.571 . . . . 17.510000000000002 110.024 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.45 -44.18 97.04 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.839 -0.8 . . . . 15.130000000000001 108.839 179.245 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.7 mtp -62.46 -41.56 98.85 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 120.301 -0.56 . . . . 24.280000000000001 110.503 178.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -65.41 -31.67 81.09 Favored Glycine 0 CA--C 1.531 1.074 0 C-N-CA 118.537 -1.792 . . . . 16.649999999999999 111.382 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 21.9 ttm -69.3 -34.49 74.78 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-N 114.991 -0.604 . . . . 27.359999999999999 112.387 -179.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.622 HG21 HD12 ' A' ' 75' ' ' ILE . 97.4 mt -71.33 -41.58 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 N-CA-C 107.311 -1.366 . . . . 19.899999999999999 107.311 179.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 8.6 mt -61.79 -40.28 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 C-N-CA 118.575 -1.25 . . . . 16.809999999999999 109.234 178.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -60.26 -50.96 71.58 Favored 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 107.705 -1.22 . . . . 20.489999999999998 107.705 -178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 48.3 t -55.42 -51.72 54.02 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.84 0 C-N-CA 120.223 -0.591 . . . . 16.989999999999998 110.623 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -53.76 -47.51 70.61 Favored 'General case' 0 C--O 1.247 0.967 0 N-CA-C 115.132 1.53 . . . . 18.84 115.132 179.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.6 p -63.67 -29.31 70.55 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 113.044 0.757 . . . . 27.050000000000001 113.044 -179.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 90.5 mtt-85 -67.63 -18.25 64.9 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 113.796 1.036 . . . . 34.93 113.796 178.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -119.5 -12.01 9.39 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 115.552 1.686 . . . . 21.52 115.552 -177.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p -87.9 -1.98 58.32 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 114.982 1.475 . . . . 20.829999999999998 114.982 -175.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.7 1.8 55.63 Favored Glycine 0 C--O 1.21 -1.386 0 N-CA-C 119.326 2.49 . . . . 24.16 119.326 -177.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.7 p -82.86 -18.97 38.45 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.563 1.682 . . . . 30.829999999999998 115.069 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -158.62 149.96 20.76 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 120.921 -1.112 . . . . 27.460000000000001 112.431 176.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.99 -148.8 42.38 Favored Glycine 0 C--O 1.211 -1.29 0 N-CA-C 109.991 -1.244 . . . . 20.420000000000002 109.991 -179.731 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 11.6 t -57.39 138.09 55.37 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 117.333 0.567 . . . . 21.239999999999998 111.619 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.4 p -78.27 -5.03 50.77 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 109.561 -0.533 . . . . 21.309999999999999 109.561 178.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -103.77 3.1 33.69 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 119.886 -0.725 . . . . 31.23 112.722 178.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.2 p -138.6 164.62 29.01 Favored 'General case' 0 C--O 1.238 0.482 0 C-N-CA 117.419 -1.712 . . . . 15.99 112.701 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 80.2 mt -104.56 127.95 52.42 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.01 -0.995 . . . . 15.94 109.334 178.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 52.1 p -87.27 -178.07 6.12 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 101.385 -3.561 . . . . 15.210000000000001 101.385 176.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -63.39 -37.09 85.94 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-O 122.034 0.921 . . . . 29.899999999999999 109.047 178.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -66.4 -44.36 90.56 Favored Glycine 0 C--O 1.247 0.967 0 C-N-CA 119.412 -1.375 . . . . 15.5 113.385 -179.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -65.5 -40.85 93.52 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.962 -0.385 . . . . 16.98 109.962 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.3 tp -61.4 -43.03 99.58 Favored 'General case' 0 C--O 1.213 -0.853 0 N-CA-C 109.976 -0.379 . . . . 16.280000000000001 109.976 178.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -55.8 -47.79 76.53 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.686 -0.634 . . . . 26.359999999999999 109.829 178.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.46 -47.77 87.93 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.742 -0.208 . . . . 19.370000000000001 111.007 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 HD23 ' C ' ' A' ' 36' ' ' LEU . 7.3 tt -55.9 -44.87 78.62 Favored 'General case' 0 CA--C 1.559 1.291 0 C-N-CA 119.779 -0.768 . . . . 17.449999999999999 110.993 177.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 98.0 mmm -64.45 -44.62 90.57 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 114.581 1.326 . . . . 18.100000000000001 114.581 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -65.36 -34.34 78.1 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 118.821 0.737 . . . . 31.719999999999999 111.042 179.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.2 mmtm -86.46 -36.0 19.32 Favored 'General case' 0 CA--C 1.549 0.934 0 N-CA-C 117.279 2.325 . . . . 31.640000000000001 117.279 179.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -103.89 -29.95 10.64 Favored 'General case' 0 C--O 1.243 0.762 0 N-CA-C 116.875 2.176 . . . . 20.57 116.875 -177.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -129.22 53.33 11.25 Favored Pre-proline 0 C--N 1.324 -0.539 0 N-CA-C 108.396 -0.964 . . . . 18.260000000000002 108.396 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -56.95 141.92 93.64 Favored 'Trans proline' 0 C--N 1.355 0.894 0 O-C-N 122.36 0.663 . . . . 26.370000000000001 111.931 -179.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 83.53 -11.71 54.81 Favored Glycine 0 C--O 1.217 -0.944 0 CA-C-N 114.789 -1.096 . . . . 29.949999999999999 113.842 178.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -65.29 -44.57 87.57 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 118.466 1.133 . . . . 30.550000000000001 112.39 -179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 95.3 mt . . . . . 0 C--N 1.323 -0.577 0 N-CA-C 108.688 -0.856 . . . . 35.350000000000001 108.688 178.683 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.552 1.032 0 CA-C-O 123.183 1.468 . . . . 46.600000000000001 113.218 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -44.68 -42.78 7.85 Favored 'General case' 0 N--CA 1.44 -0.96 0 N-CA-C 117.63 2.455 . . . . 35.210000000000001 117.63 -176.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.16 -43.26 88.64 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 C-N-CA 120.042 -0.663 . . . . 30.960000000000001 112.364 -178.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.755 ' OD1' ' HD2' ' A' ' 59' ' ' LYS . 5.5 t70 -67.76 -38.55 83.59 Favored 'General case' 0 C--O 1.21 -0.988 0 C-N-CA 119.437 -0.905 . . . . 33.229999999999997 109.332 -179.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt -65.97 -38.84 89.6 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 108.753 -0.832 . . . . 36.829999999999998 108.753 178.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -61.48 -47.34 86.11 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.19 -1.041 . . . . 21.34 108.19 -179.197 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.22 -44.91 92.28 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 118.52 -1.272 . . . . 23.199999999999999 111.867 -178.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.755 ' HD2' ' OD1' ' A' ' 55' ' ' ASP . 14.3 mttt -61.83 -32.94 73.3 Favored 'General case' 0 C--O 1.219 -0.537 0 CA-C-N 116.057 -0.52 . . . . 33.189999999999998 110.434 179.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -70.2 -41.06 74.18 Favored 'General case' 0 C--O 1.245 0.84 0 CA-C-O 121.199 0.523 . . . . 22.41 112.229 179.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 12.8 mt -82.19 -29.14 31.64 Favored 'General case' 0 C--O 1.245 0.859 0 N-CA-C 115.899 1.814 . . . . 20.370000000000001 115.899 -177.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -63.1 100.48 0.22 Allowed 'General case' 0 C--O 1.198 -1.639 0 CA-C-N 115.657 -0.701 . . . . 21.550000000000001 111.129 -178.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.8 -22.11 29.67 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 113.736 1.013 . . . . 25.43 113.736 179.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.6 p-10 -108.22 7.15 27.27 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 115.269 1.581 . . . . 28.710000000000001 115.269 -176.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.7 27.65 73.36 Favored Glycine 0 CA--C 1.535 1.317 0 N-CA-C 119.598 2.599 . . . . 25.050000000000001 119.598 177.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.43 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 31.0 p30 -96.04 6.7 48.25 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 119.188 1.494 . . . . 21.98 111.177 177.056 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 66' ' ' ASP . . . 67.69 21.05 9.41 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 114.759 1.392 . . . . 21.649999999999999 114.759 179.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -139.71 159.51 42.0 Favored 'General case' 0 C--O 1.253 1.266 0 N-CA-C 108.783 -0.821 . . . . 26.870000000000001 108.783 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 36.0 t -108.73 115.17 48.72 Favored 'Isoleucine or valine' 0 C--O 1.245 0.825 0 O-C-N 124.011 0.819 . . . . 13.27 109.214 178.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 20.1 p30 -92.41 179.3 5.57 Favored 'General case' 0 C--O 1.256 1.414 0 C-N-CA 119.201 -1.0 . . . . 17.57 108.729 179.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 49.1 t80 -61.81 -42.18 98.69 Favored 'General case' 0 N--CA 1.442 -0.86 0 C-N-CA 117.06 -1.856 . . . . 16.609999999999999 114.659 -177.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 45.0 m -57.63 -46.14 84.52 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-N 119.2 0.909 . . . . 21.440000000000001 111.505 179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -63.2 -41.39 99.15 Favored 'General case' 0 CA--C 1.545 0.786 0 O-C-N 124.44 1.087 . . . . 17.07 110.593 179.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -65.08 -47.92 75.55 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-N 115.356 -0.838 . . . . 16.530000000000001 112.196 178.777 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.622 HD12 HG21 ' A' ' 11' ' ' ILE . 1.2 tp -66.58 -28.18 42.5 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 O-C-N 120.535 -1.353 . . . . 18.989999999999998 111.925 -177.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.6 t -66.89 -39.45 83.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 N-CA-C 106.589 -1.634 . . . . 20.41 106.589 178.997 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -64.03 -46.3 85.06 Favored 'General case' 0 C--O 1.262 1.748 0 CA-C-N 115.874 -0.603 . . . . 21.489999999999998 111.884 178.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 72.1 t -58.33 -41.04 80.25 Favored 'Isoleucine or valine' 0 C--O 1.249 1.051 0 CA-C-O 121.474 0.654 . . . . 16.300000000000001 111.347 177.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.78 -43.28 96.82 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 115.542 -0.754 . . . . 16.469999999999999 111.994 178.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.64 -48.62 80.03 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 123.741 0.651 . . . . 18.559999999999999 110.354 -178.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.3 mm -59.59 -45.8 93.75 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 CA-C-O 121.626 0.727 . . . . 24.25 110.336 178.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 25.2 m -63.49 -43.33 97.57 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 116.068 -0.514 . . . . 14.99 110.323 -179.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.9 t -62.25 -39.68 93.66 Favored 'General case' 0 C--O 1.21 -0.994 0 C-N-CA 120.776 -0.37 . . . . 21.34 110.064 179.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.6 -37.97 89.33 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 120.421 -0.511 . . . . 18.760000000000002 110.418 -179.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 85.4 m -64.12 -48.01 77.75 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 122.009 -0.432 . . . . 26.649999999999999 110.767 178.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 66.3 t-80 -64.18 -38.65 91.81 Favored 'General case' 0 C--O 1.255 1.366 0 N-CA-C 112.563 0.579 . . . . 16.440000000000001 112.563 -179.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.489 ' HD2' ' O ' ' A' ' 128' ' ' HOH . 2.5 ttpt -64.63 -36.73 85.19 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 122.348 1.07 . . . . 32.289999999999999 110.536 178.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 77.6 t80 -64.72 -45.9 84.58 Favored 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 118.993 -1.083 . . . . 25.829999999999998 112.744 -178.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -76.79 -22.61 53.45 Favored 'General case' 0 CA--C 1.504 -0.799 0 C-N-CA 119.55 -0.86 . . . . 27.960000000000001 111.758 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -63.59 -43.23 97.55 Favored 'General case' 0 C--O 1.213 -0.859 0 N-CA-C 106.846 -1.538 . . . . 30.73 106.846 175.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.881 ' HA ' ' HE3' ' A' ' 91' ' ' LYS . 0.0 OUTLIER -74.61 -38.71 62.5 Favored 'General case' 0 C--O 1.224 -0.239 0 N-CA-C 112.956 0.724 . . . . 37.100000000000001 112.956 179.199 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.22 -19.81 48.69 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 107.848 -1.168 . . . . 30.890000000000001 107.848 179.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -67.47 5.95 2.79 Favored Glycine 0 C--O 1.227 -0.307 0 N-CA-C 120.512 2.965 . . . . 38.140000000000001 120.512 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 94' ' ' LEU . 21.6 tp . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 112.301 0.482 . . . . 44.93 112.301 173.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . 0.489 ' O ' ' HD2' ' A' ' 87' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_