data_2o03_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 2o03 _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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 110.377 -0.231 . . . . 64.75 110.377 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 m -87.87 -31.97 19.23 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.694 1.368 . . . . 65.359999999999999 114.694 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.76 -33.48 27.4 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 109.668 -0.494 . . . . 65.489999999999995 109.668 170.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.43 -51.58 4.1 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 115.378 1.621 . . . . 65.730000000000004 115.378 -172.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.27 -28.64 65.68 Favored Glycine 0 N--CA 1.474 1.167 0 N-CA-C 113.983 0.353 . . . . 65.599999999999994 113.983 -177.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.1 -31.75 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 122.377 0.271 . . . . 64.620000000000005 111.311 174.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -75.7 -31.1 59.56 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 121.246 0.546 . . . . 63.399999999999999 110.742 175.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t -62.6 -54.62 36.89 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.382 0.882 . . . . 63.170000000000002 113.382 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.6 p -63.51 -28.34 69.89 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.04 0.536 . . . . 62.770000000000003 111.411 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -68.72 -31.85 71.23 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.89 0.853 . . . . 69.549999999999997 112.353 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -70.05 -55.13 10.3 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.871 -0.604 . . . . 61.140000000000001 111.8 174.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -48.46 -50.7 30.32 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 123.625 0.578 . . . . 72.370000000000005 112.032 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.56 -40.85 63.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.665 0.617 . . . . 59.299999999999997 112.665 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.93 85.63 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.47 0.544 . . . . 57.109999999999999 112.47 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.1 mt -67.31 -54.79 20.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 119.583 -0.246 . . . . 56.729999999999997 110.421 174.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . . . -44.37 -43.78 7.82 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 123.165 0.291 . . . . 55.329999999999998 111.709 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.8 m -67.08 -38.24 85.38 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 111.901 0.334 . . . . 55.109999999999999 111.901 -174.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.0 tp -64.26 -43.82 93.67 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 123.541 0.525 . . . . 55.490000000000002 109.608 -179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.5 -48.17 77.75 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 123.933 0.77 . . . . 55.100000000000001 113.026 176.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -51.98 -27.69 14.25 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 109.605 -0.517 . . . . 55.390000000000001 109.605 -178.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 p -92.29 -15.76 26.98 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 114.93 1.455 . . . . 56.009999999999998 114.93 -175.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 mt -96.74 134.38 40.09 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 122.425 0.29 . . . . 55.789999999999999 111.754 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -98.18 -9.49 25.63 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 113.818 1.044 . . . . 63.880000000000003 113.818 -176.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . . . -129.63 153.78 47.76 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.812 0.671 . . . . 53.840000000000003 112.812 -171.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -57.11 131.39 49.77 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.407 1.262 . . . . 49.939999999999998 114.407 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -138.11 142.9 40.19 Favored 'General case' 0 C--O 1.247 0.964 0 CA-C-O 119.459 -0.305 . . . . 49.119999999999997 111.521 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.4 p -68.63 169.74 10.57 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 121.301 0.572 . . . . 46.710000000000001 111.676 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.22 82.37 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.246 0.546 . . . . 47.420000000000002 110.899 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -59.62 -57.55 12.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.265 -0.643 . . . . 56.310000000000002 109.265 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -55.64 -37.88 68.81 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.819 0.448 . . . . 52.07 112.082 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.4 mt -72.33 -38.76 68.55 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 121.182 0.515 . . . . 52.280000000000001 111.21 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -61.62 -41.84 98.04 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.299 -0.876 . . . . 52.700000000000003 110.805 175.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -66.03 -28.98 69.27 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.366 0.876 . . . . 57.450000000000003 113.366 -176.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -85.43 -33.11 22.0 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 109.032 -0.729 . . . . 52.649999999999999 109.032 -175.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.1 -45.51 93.18 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-N 115.193 -0.912 . . . . 49.119999999999997 109.646 172.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.62 -47.45 84.32 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.185 -0.916 . . . . 61.280000000000001 110.471 176.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.7 ttp85 -61.6 -34.7 76.09 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 122.921 0.488 . . . . 47.229999999999997 111.039 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -80.78 7.54 10.15 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.71 1.744 . . . . 60.280000000000001 115.71 175.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.63 -6.91 65.37 Favored Glycine 0 N--CA 1.47 0.918 0 N-CA-C 116.72 1.448 . . . . 48.719999999999999 116.72 169.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -68.92 157.71 36.09 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 122.157 0.98 . . . . 61.25 111.006 174.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -131.32 90.83 2.93 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 103.924 -2.621 . . . . 57.390000000000001 103.924 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.5 mt -136.05 113.21 13.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 O-C-N 124.247 0.967 . . . . 50.130000000000003 109.619 -175.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.27 147.71 34.64 Favored Glycine 0 C--O 1.245 0.788 0 C-N-CA 120.412 -0.899 . . . . 48.119999999999997 113.66 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.19 -39.66 66.84 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 113.962 1.097 . . . . 47.0 113.962 173.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.3 m -59.23 -40.22 85.19 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 117.527 -1.669 . . . . 47.740000000000002 112.326 175.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.2 m -69.78 -39.91 76.34 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 108.258 -1.015 . . . . 47.960000000000001 108.258 -176.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.61 -52.98 54.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 123.864 0.728 . . . . 49.030000000000001 112.285 177.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -53.61 -49.51 67.66 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.314 -0.403 . . . . 56.520000000000003 110.945 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . . . -59.69 -40.52 88.12 Favored 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 113.461 0.911 . . . . 49.130000000000003 113.461 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.3 m -65.35 -52.83 51.17 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.413 -0.588 . . . . 50.530000000000001 109.413 179.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.4 mt -55.39 -36.96 66.97 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.181 0.808 . . . . 48.600000000000001 113.181 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -59.32 -49.42 77.91 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 119.033 -0.508 . . . . 61.68 112.13 171.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . . . -56.62 -46.15 81.1 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.261 -0.644 . . . . 48.880000000000003 109.261 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 32.9 mtt -62.15 -40.63 96.6 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 119.834 -0.747 . . . . 50.979999999999997 112.927 -179.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.68 -16.97 63.45 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 115.718 -0.674 . . . . 48.740000000000002 111.914 -174.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.1 p -121.58 12.38 10.73 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.285 1.587 . . . . 48.189999999999998 115.285 -179.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.1 p -115.8 -1.61 12.58 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.56 0.695 . . . . 49.149999999999999 109.792 169.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.66 36.5 13.75 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.003 -0.999 . . . . 51.829999999999998 114.453 173.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.88 -41.51 6.13 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.494 -0.558 . . . . 52.869999999999997 109.494 173.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.6 m -110.72 152.65 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 113.215 0.82 . . . . 52.219999999999999 113.215 169.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -99.68 155.46 17.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 56.280000000000001 109.977 171.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.7 154.81 48.61 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.21 1.189 . . . . 53.460000000000001 114.21 -172.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.44 161.13 38.66 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.512 0.725 . . . . 55.189999999999998 110.965 168.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.95 107.51 15.78 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.155 0.502 . . . . 62.32 111.337 173.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 p -72.29 159.53 33.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.179 0.807 . . . . 61.009999999999998 113.179 -176.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -19.25 1.84 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.543 1.683 . . . . 60.359999999999999 115.543 -178.152 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -64.13 -55.86 18.91 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 116.493 -0.321 . . . . 60.590000000000003 110.6 167.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.97 -22.89 3.24 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 109.951 -1.26 . . . . 60.020000000000003 109.951 -172.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 138.1 57.77 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.232 0.827 . . . . 65.819999999999993 113.232 177.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -78.03 134.98 37.68 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 114.441 -1.254 . . . . 53.509999999999998 109.153 169.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m -118.31 155.73 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 109.3 -0.63 . . . . 49.880000000000003 109.3 173.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -137.79 147.04 44.29 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.29 1.218 . . . . 51.509999999999998 114.29 -169.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -147.16 140.33 25.28 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.717 0.807 . . . . 51.810000000000002 110.634 172.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . . . -55.7 141.65 37.25 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 104.928 -2.249 . . . . 51.700000000000003 104.928 165.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.26 139.33 4.79 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.088 0.867 . . . . 52.960000000000001 112.767 -174.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . . . -72.16 -4.84 31.58 Favored 'General case' 0 N--CA 1.495 1.818 1 N-CA-C 122.577 4.288 . . . . 54.020000000000003 122.577 -150.764 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . 69.97 -41.44 0.49 Allowed 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 115.789 1.774 . . . . 53.909999999999997 115.789 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.13 138.74 44.07 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 122.545 0.338 . . . . 56.079999999999998 110.975 169.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HIS . . . . . 0.416 ' NE2' ' OE2' ' A' ' 101' ' ' GLU . 16.3 t60 -58.32 120.43 8.72 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 113.549 0.944 . . . . 50.399999999999999 113.549 -173.663 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -149.7 176.76 10.39 Favored 'General case' 0 CA--C 1.527 0.069 0 CA-C-N 115.714 -0.676 . . . . 55.109999999999999 110.436 175.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -122.32 174.37 7.04 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 120.612 0.244 . . . . 49.390000000000001 110.928 171.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -122.97 145.04 48.83 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 115.716 1.746 . . . . 54.979999999999997 115.716 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.7 tp -94.71 136.16 35.35 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.155 -1.384 . . . . 50.840000000000003 107.757 164.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.0 t -134.19 139.47 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 114.606 1.336 . . . . 51.420000000000002 114.606 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.95 120.13 23.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.648 -0.706 . . . . 53.270000000000003 112.54 173.52 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -55.59 -29.26 58.77 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.48 0.919 . . . . 59.969999999999999 113.48 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -90.85 -39.32 12.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 116.502 2.038 . . . . 51.950000000000003 116.502 -169.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' CYS . . . . . . . . . . . . . 30.3 p -120.82 -12.61 8.79 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.496 1.295 . . . . 54.149999999999999 114.496 -178.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.21 0.2 83.05 Favored Glycine 0 CA--C 1.533 1.184 0 N-CA-C 115.579 0.992 . . . . 55.009999999999998 115.579 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 t -43.78 117.1 1.09 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.925 0.49 . . . . 54.399999999999999 111.871 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -104.1 124.08 48.41 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 120.767 0.318 . . . . 53.539999999999999 111.512 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 72.0 mt -117.28 138.9 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 N-CA-C 108.006 -1.109 . . . . 52.119999999999997 108.006 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -78.74 132.48 36.96 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.076 0.86 . . . . 51.43 111.669 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.41 152.07 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 124.216 0.948 . . . . 53.710000000000001 112.119 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -164.05 -174.92 34.41 Favored Glycine 0 N--CA 1.469 0.879 0 C-N-CA 121.603 -0.332 . . . . 55.049999999999997 113.065 179.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 5.7 t70 179.27 129.9 0.08 Allowed 'General case' 0 C--O 1.242 0.683 0 CA-C-O 120.936 0.398 . . . . 57.43 111.663 174.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -56.18 -48.77 75.72 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.139 -0.937 . . . . 59.68 110.633 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . . . -90.04 -0.67 57.71 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.382 1.252 . . . . 55.609999999999999 114.382 -170.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.59 -49.8 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 109.107 -0.701 . . . . 55.740000000000002 109.107 166.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' OE2' ' NE2' ' A' ' 80' ' ' HIS . 10.5 tp10 -56.52 -31.56 64.23 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.266 1.026 . . . . 58.369999999999997 111.502 175.455 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.01 -46.97 69.78 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.123 0.487 . . . . 54.899999999999999 111.224 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -55.98 -52.98 62.25 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.8 -0.636 . . . . 54.369999999999997 110.539 178.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.03 -34.17 55.2 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.606 1.706 . . . . 53.740000000000002 115.606 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.51 -52.35 10.86 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.982 0.734 . . . . 53.909999999999997 112.982 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . . . -61.15 -43.37 98.98 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 119.126 -0.464 . . . . 54.119999999999997 111.464 -176.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.9 m -60.92 -26.93 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 N-CA-C 114.953 1.464 . . . . 53.82 114.953 -179.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.07 -51.84 12.5 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 120.301 -0.559 . . . . 54.170000000000002 111.497 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -6.2 39.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.439 0.637 . . . . 55.229999999999997 111.475 179.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -50.85 23.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.188 -0.915 . . . . 62.100000000000001 109.784 172.983 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -85.56 2.52 44.58 Favored 'General case' 0 C--O 1.252 1.23 0 N-CA-C 112.733 0.642 . . . . 52.969999999999999 112.733 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.22 55.56 3.99 Favored Glycine 0 C--N 1.335 0.499 0 CA-C-N 115.799 -0.637 . . . . 53.07 113.936 173.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -110.63 134.66 52.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.5 1.12 . . . . 53.130000000000003 110.937 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -100.0 163.02 12.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.505 -0.924 . . . . 52.920000000000002 108.505 172.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 53.95 58.74 4.79 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.652 1.581 . . . . 53.079999999999998 113.535 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.2 t -75.46 145.81 10.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 113.072 0.767 . . . . 52.700000000000003 113.072 -176.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.8 p -153.92 165.3 36.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.378 -0.971 . . . . 54.0 108.378 171.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -154.06 151.05 28.87 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.252 0.464 . . . . 55.969999999999999 112.252 -172.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 6.4 p -131.73 126.86 35.55 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.199 -0.601 . . . . 59.0 110.261 169.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.3 mt -123.64 124.87 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 N-CA-C 106.914 -1.513 . . . . 57.200000000000003 106.914 178.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -137.37 134.97 36.56 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.456 -0.942 . . . . 64.810000000000002 108.456 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 24.3 mt -116.16 154.04 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 120.52 -0.472 . . . . 52.539999999999999 111.768 172.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -148.58 156.16 42.06 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 107.651 -1.241 . . . . 53.509999999999998 107.651 -173.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.93 172.17 40.46 Favored Glycine 0 N--CA 1.472 1.057 0 N-CA-C 110.163 -1.175 . . . . 51.340000000000003 110.163 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . . . -96.7 119.08 34.52 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.801 -0.815 . . . . 54.469999999999999 108.801 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.3 p -73.34 169.64 16.7 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.061 1.504 . . . . 56.880000000000003 115.061 -166.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.3 t -63.52 -50.99 67.41 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.126 -0.943 . . . . 60.289999999999999 112.55 -172.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -50.48 -38.66 45.1 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.242 1.417 . . . . 65.049999999999997 113.324 164.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.21 -16.09 58.18 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 117.181 2.289 . . . . 64.510000000000005 117.181 -174.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 106.639 -1.615 . . . . 66.969999999999999 106.639 163.888 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 110.377 -0.231 . . . . 64.75 110.377 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 m -87.87 -31.97 19.23 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.694 1.368 . . . . 65.36 114.694 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.76 -33.48 27.4 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 109.668 -0.494 . . . . 65.49 109.668 170.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.43 -51.58 4.1 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 115.378 1.621 . . . . 65.73 115.378 -172.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.27 -28.64 65.68 Favored Glycine 0 N--CA 1.474 1.167 0 N-CA-C 113.983 0.353 . . . . 65.6 113.983 -177.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.1 -31.75 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 122.377 0.271 . . . . 64.62 111.311 174.888 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HG2' ' NH2' ' A' ' 11' ' ' ARG . 9.2 tmm_? -75.7 -31.1 59.56 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 121.246 0.546 . . . . 63.4 110.742 175.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t -62.6 -54.62 36.89 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.382 0.882 . . . . 63.17 113.382 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.6 p -63.51 -28.34 69.89 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.04 0.536 . . . . 62.77 111.411 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH2' ' HG2' ' A' ' 8' ' ' ARG . 7.0 tmm_? -68.72 -31.85 71.23 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.89 0.853 . . . . 69.55 112.353 174.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . 0.689 ' HG2' HG12 ' A' ' 43' ' ' ILE . 41.7 mt-30 -70.05 -55.13 10.3 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.871 -0.604 . . . . 61.14 111.8 174.558 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -48.46 -50.7 30.32 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 123.625 0.578 . . . . 72.37 112.032 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.56 -40.85 63.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.665 0.617 . . . . 59.3 112.665 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.93 85.63 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.47 0.544 . . . . 57.11 112.47 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.1 mt -67.31 -54.79 20.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 119.583 -0.246 . . . . 56.73 110.421 174.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . . . -44.37 -43.78 7.82 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 123.165 0.291 . . . . 55.33 111.709 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.8 m -67.08 -38.24 85.38 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 111.901 0.334 . . . . 55.11 111.901 -174.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.0 tp -64.26 -43.82 93.67 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 123.541 0.525 . . . . 55.49 109.608 -179.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.5 -48.17 77.75 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 123.933 0.77 . . . . 55.1 113.026 176.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -51.98 -27.69 14.25 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 109.605 -0.517 . . . . 55.39 109.605 -178.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 p -92.29 -15.76 26.98 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 114.93 1.455 . . . . 56.01 114.93 -175.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 mt -96.74 134.38 40.09 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 122.425 0.29 . . . . 55.79 111.754 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -98.18 -9.49 25.63 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 113.818 1.044 . . . . 63.88 113.818 -176.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . . . -129.63 153.78 47.76 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.812 0.671 . . . . 53.84 112.812 -171.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -57.11 131.39 49.77 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.407 1.262 . . . . 49.94 114.407 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -138.11 142.9 40.19 Favored 'General case' 0 C--O 1.247 0.964 0 CA-C-O 119.459 -0.305 . . . . 49.12 111.521 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.4 p -68.63 169.74 10.57 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 121.301 0.572 . . . . 46.71 111.676 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.22 82.37 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.246 0.546 . . . . 47.42 110.899 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -59.62 -57.55 12.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.265 -0.643 . . . . 56.31 109.265 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -55.64 -37.88 68.81 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.819 0.448 . . . . 52.07 112.082 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.4 mt -72.33 -38.76 68.55 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 121.182 0.515 . . . . 52.28 111.21 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -61.62 -41.84 98.04 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.299 -0.876 . . . . 52.7 110.805 175.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -66.03 -28.98 69.27 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.366 0.876 . . . . 57.45 113.366 -176.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -85.43 -33.11 22.0 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 109.032 -0.729 . . . . 52.65 109.032 -175.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.1 -45.51 93.18 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-N 115.193 -0.912 . . . . 49.12 109.646 172.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.62 -47.45 84.32 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.185 -0.916 . . . . 61.28 110.471 176.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.7 ttp85 -61.6 -34.7 76.09 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 122.921 0.488 . . . . 47.23 111.039 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -80.78 7.54 10.15 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.71 1.744 . . . . 60.28 115.71 175.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.63 -6.91 65.37 Favored Glycine 0 N--CA 1.47 0.918 0 N-CA-C 116.72 1.448 . . . . 48.72 116.72 169.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -68.92 157.71 36.09 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 122.157 0.98 . . . . 61.25 111.006 174.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -131.32 90.83 2.93 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 103.924 -2.621 . . . . 57.39 103.924 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ILE . . . . . 0.689 HG12 ' HG2' ' A' ' 12' ' ' GLN . 51.5 mt -136.05 113.21 13.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 O-C-N 124.247 0.967 . . . . 50.13 109.619 -175.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.27 147.71 34.64 Favored Glycine 0 C--O 1.245 0.788 0 C-N-CA 120.412 -0.899 . . . . 48.12 113.66 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.19 -39.66 66.84 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 113.962 1.097 . . . . 47.0 113.962 173.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.3 m -59.23 -40.22 85.19 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 117.527 -1.669 . . . . 47.74 112.326 175.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.2 m -69.78 -39.91 76.34 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 108.258 -1.015 . . . . 47.96 108.258 -176.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.61 -52.98 54.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 123.864 0.728 . . . . 49.03 112.285 177.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -53.61 -49.51 67.66 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.314 -0.403 . . . . 56.52 110.945 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . . . -59.69 -40.52 88.12 Favored 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 113.461 0.911 . . . . 49.13 113.461 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.3 m -65.35 -52.83 51.17 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.413 -0.588 . . . . 50.53 109.413 179.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.4 mt -55.39 -36.96 66.97 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.181 0.808 . . . . 48.6 113.181 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -59.32 -49.42 77.91 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 119.033 -0.508 . . . . 61.68 112.13 171.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . . . -56.62 -46.15 81.1 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.261 -0.644 . . . . 48.88 109.261 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' MET . . . . . 0.421 ' HB3' HG13 ' A' ' 61' ' ' VAL . 32.9 mtt -62.15 -40.63 96.6 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 119.834 -0.747 . . . . 50.98 112.927 -179.194 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.68 -16.97 63.45 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 115.718 -0.674 . . . . 48.74 111.914 -174.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . 0.617 ' HB2' ' O ' ' A' ' 89' ' ' CYS . 55.1 p -121.58 12.38 10.73 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.285 1.587 . . . . 48.19 115.285 -179.443 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.1 p -115.8 -1.61 12.58 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.56 0.695 . . . . 49.15 109.792 169.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.66 36.5 13.75 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.003 -0.999 . . . . 51.83 114.453 173.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.88 -41.51 6.13 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.494 -0.558 . . . . 52.87 109.494 173.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . 0.421 HG13 ' HB3' ' A' ' 55' ' ' MET . 3.6 m -110.72 152.65 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 113.215 0.82 . . . . 52.22 113.215 169.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -99.68 155.46 17.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 56.28 109.977 171.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.7 154.81 48.61 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.21 1.189 . . . . 53.46 114.21 -172.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.44 161.13 38.66 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.512 0.725 . . . . 55.19 110.965 168.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.95 107.51 15.78 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.155 0.502 . . . . 62.32 111.337 173.966 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 p -72.29 159.53 33.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.179 0.807 . . . . 61.01 113.179 -176.702 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -19.25 1.84 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.543 1.683 . . . . 60.36 115.543 -178.152 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -64.13 -55.86 18.91 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 116.493 -0.321 . . . . 60.59 110.6 167.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.97 -22.89 3.24 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 109.951 -1.26 . . . . 60.02 109.951 -172.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 138.1 57.77 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.232 0.827 . . . . 65.82 113.232 177.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -78.03 134.98 37.68 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 114.441 -1.254 . . . . 53.51 109.153 169.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m -118.31 155.73 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 109.3 -0.63 . . . . 49.88 109.3 173.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -137.79 147.04 44.29 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.29 1.218 . . . . 51.51 114.29 -169.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -147.16 140.33 25.28 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.717 0.807 . . . . 51.81 110.634 172.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . . . -55.7 141.65 37.25 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 104.928 -2.249 . . . . 51.7 104.928 165.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.26 139.33 4.79 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.088 0.867 . . . . 52.96 112.767 -174.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . . . -72.16 -4.84 31.58 Favored 'General case' 0 N--CA 1.495 1.818 1 N-CA-C 122.577 4.288 . . . . 54.02 122.577 -150.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . 69.97 -41.44 0.49 Allowed 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 115.789 1.774 . . . . 53.91 115.789 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.13 138.74 44.07 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 122.545 0.338 . . . . 56.08 110.975 169.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HIS . . . . . 0.416 ' NE2' ' OE2' ' A' ' 101' ' ' GLU . 16.3 t60 -58.32 120.43 8.72 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 113.549 0.944 . . . . 50.4 113.549 -173.663 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -149.7 176.76 10.39 Favored 'General case' 0 CA--C 1.527 0.069 0 CA-C-N 115.714 -0.676 . . . . 55.11 110.436 175.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -122.32 174.37 7.04 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 120.612 0.244 . . . . 49.39 110.928 171.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -122.97 145.04 48.83 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 115.716 1.746 . . . . 54.98 115.716 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.7 tp -94.71 136.16 35.35 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.155 -1.384 . . . . 50.84 107.757 164.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.0 t -134.19 139.47 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 114.606 1.336 . . . . 51.42 114.606 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.95 120.13 23.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.648 -0.706 . . . . 53.27 112.54 173.52 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -55.59 -29.26 58.77 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.48 0.919 . . . . 59.97 113.48 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -90.85 -39.32 12.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 116.502 2.038 . . . . 51.95 116.502 -169.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' CYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 57' ' ' SER . 30.3 p -120.82 -12.61 8.79 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.496 1.295 . . . . 54.15 114.496 -178.865 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.21 0.2 83.05 Favored Glycine 0 CA--C 1.533 1.184 0 N-CA-C 115.579 0.992 . . . . 55.01 115.579 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 t -43.78 117.1 1.09 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.925 0.49 . . . . 54.4 111.871 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -104.1 124.08 48.41 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 120.767 0.318 . . . . 53.54 111.512 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 72.0 mt -117.28 138.9 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 N-CA-C 108.006 -1.109 . . . . 52.12 108.006 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -78.74 132.48 36.96 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.076 0.86 . . . . 51.43 111.669 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.41 152.07 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 124.216 0.948 . . . . 53.71 112.119 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 97' ' ' ASP . . . -164.05 -174.92 34.41 Favored Glycine 0 N--CA 1.469 0.879 0 C-N-CA 121.603 -0.332 . . . . 55.05 113.065 179.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 96' ' ' GLY . 5.7 t70 179.27 129.9 0.08 Allowed 'General case' 0 C--O 1.242 0.683 0 CA-C-O 120.936 0.398 . . . . 57.43 111.663 174.524 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -56.18 -48.77 75.72 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.139 -0.937 . . . . 59.68 110.633 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . . . -90.04 -0.67 57.71 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.382 1.252 . . . . 55.61 114.382 -170.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.59 -49.8 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 109.107 -0.701 . . . . 55.74 109.107 166.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' OE2' ' NE2' ' A' ' 80' ' ' HIS . 10.5 tp10 -56.52 -31.56 64.23 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.266 1.026 . . . . 58.37 111.502 175.455 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.01 -46.97 69.78 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.123 0.487 . . . . 54.9 111.224 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' TRP . . . . . 0.451 ' O ' HG22 ' A' ' 107' ' ' VAL . 45.8 t90 -55.98 -52.98 62.25 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.8 -0.636 . . . . 54.37 110.539 178.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.03 -34.17 55.2 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.606 1.706 . . . . 53.74 115.606 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.51 -52.35 10.86 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.982 0.734 . . . . 53.91 112.982 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . . . -61.15 -43.37 98.98 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 119.126 -0.464 . . . . 54.12 111.464 -176.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 103' ' ' TRP . 2.9 m -60.92 -26.93 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 N-CA-C 114.953 1.464 . . . . 53.82 114.953 -179.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.07 -51.84 12.5 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 120.301 -0.559 . . . . 54.17 111.497 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -6.2 39.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.439 0.637 . . . . 55.23 111.475 179.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -50.85 23.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.188 -0.915 . . . . 62.1 109.784 172.983 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -85.56 2.52 44.58 Favored 'General case' 0 C--O 1.252 1.23 0 N-CA-C 112.733 0.642 . . . . 52.97 112.733 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.22 55.56 3.99 Favored Glycine 0 C--N 1.335 0.499 0 CA-C-N 115.799 -0.637 . . . . 53.07 113.936 173.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -110.63 134.66 52.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.5 1.12 . . . . 53.13 110.937 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -100.0 163.02 12.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.505 -0.924 . . . . 52.92 108.505 172.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 53.95 58.74 4.79 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.652 1.581 . . . . 53.08 113.535 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.2 t -75.46 145.81 10.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 113.072 0.767 . . . . 52.7 113.072 -176.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.8 p -153.92 165.3 36.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.378 -0.971 . . . . 54.0 108.378 171.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -154.06 151.05 28.87 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.252 0.464 . . . . 55.97 112.252 -172.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 6.4 p -131.73 126.86 35.55 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.199 -0.601 . . . . 59.0 110.261 169.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.3 mt -123.64 124.87 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 N-CA-C 106.914 -1.513 . . . . 57.2 106.914 178.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -137.37 134.97 36.56 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.456 -0.942 . . . . 64.81 108.456 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 24.3 mt -116.16 154.04 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 120.52 -0.472 . . . . 52.54 111.768 172.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -148.58 156.16 42.06 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 107.651 -1.241 . . . . 53.51 107.651 -173.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.93 172.17 40.46 Favored Glycine 0 N--CA 1.472 1.057 0 N-CA-C 110.163 -1.175 . . . . 51.34 110.163 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . . . -96.7 119.08 34.52 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.801 -0.815 . . . . 54.47 108.801 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.3 p -73.34 169.64 16.7 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.061 1.504 . . . . 56.88 115.061 -166.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.3 t -63.52 -50.99 67.41 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.126 -0.943 . . . . 60.29 112.55 -172.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -50.48 -38.66 45.1 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.242 1.417 . . . . 65.05 113.324 164.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.21 -16.09 58.18 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 117.181 2.289 . . . . 64.51 117.181 -174.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 106.639 -1.615 . . . . 66.97 106.639 163.888 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.716 0 N-CA-C 110.377 -0.231 . . . . 64.75 110.377 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 m -87.87 -31.97 19.23 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 114.694 1.368 . . . . 65.36 114.694 -178.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.76 -33.48 27.4 Favored 'General case' 0 C--O 1.242 0.683 0 N-CA-C 109.668 -0.494 . . . . 65.49 109.668 170.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -97.43 -51.58 4.1 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 115.378 1.621 . . . . 65.73 115.378 -172.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.27 -28.64 65.68 Favored Glycine 0 N--CA 1.474 1.167 0 N-CA-C 113.983 0.353 . . . . 65.6 113.983 -177.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -80.1 -31.75 13.47 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 122.377 0.271 . . . . 64.62 111.311 174.888 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.415 ' HG2' ' NH2' ' A' ' 11' ' ' ARG . 9.2 tmm_? -75.7 -31.1 59.56 Favored 'General case' 0 C--O 1.246 0.911 0 CA-C-O 121.246 0.546 . . . . 63.4 110.742 175.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.3 t -62.6 -54.62 36.89 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 113.382 0.882 . . . . 63.17 113.382 175.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 71.6 p -63.51 -28.34 69.89 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.04 0.536 . . . . 62.77 111.411 178.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' NH2' ' HG2' ' A' ' 8' ' ' ARG . 7.0 tmm_? -68.72 -31.85 71.23 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.89 0.853 . . . . 69.55 112.353 174.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.689 ' HG2' HG12 ' A' ' 43' ' ' ILE . 41.7 mt-30 -70.05 -55.13 10.3 Favored 'General case' 0 CA--C 1.509 -0.632 0 CA-C-N 115.871 -0.604 . . . . 61.14 111.8 174.558 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ttt85 -48.46 -50.7 30.32 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 123.625 0.578 . . . . 72.37 112.032 175.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.56 -40.85 63.02 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.665 0.617 . . . . 59.3 112.665 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.26 -36.93 85.63 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.47 0.544 . . . . 57.11 112.47 176.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 55.1 mt -67.31 -54.79 20.89 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 119.583 -0.246 . . . . 56.73 110.421 174.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . . . -44.37 -43.78 7.82 Favored 'General case' 0 CA--C 1.555 1.165 0 O-C-N 123.165 0.291 . . . . 55.33 111.709 173.264 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.8 m -67.08 -38.24 85.38 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 111.901 0.334 . . . . 55.11 111.901 -174.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.0 tp -64.26 -43.82 93.67 Favored 'General case' 0 C--O 1.242 0.691 0 O-C-N 123.541 0.525 . . . . 55.49 109.608 -179.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 95.4 mt -56.5 -48.17 77.75 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 123.933 0.77 . . . . 55.1 113.026 176.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . . . -51.98 -27.69 14.25 Favored 'General case' 0 C--O 1.225 -0.203 0 N-CA-C 109.605 -0.517 . . . . 55.39 109.605 -178.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.9 p -92.29 -15.76 26.98 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 114.93 1.455 . . . . 56.01 114.93 -175.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.1 mt -96.74 134.38 40.09 Favored 'General case' 0 C--O 1.215 -0.748 0 C-N-CA 122.425 0.29 . . . . 55.79 111.754 -178.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -98.18 -9.49 25.63 Favored 'General case' 0 C--O 1.211 -0.954 0 N-CA-C 113.818 1.044 . . . . 63.88 113.818 -176.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . . . -129.63 153.78 47.76 Favored 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 112.812 0.671 . . . . 53.84 112.812 -171.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -57.11 131.39 49.77 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 114.407 1.262 . . . . 49.94 114.407 177.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -138.11 142.9 40.19 Favored 'General case' 0 C--O 1.247 0.964 0 CA-C-O 119.459 -0.305 . . . . 49.12 111.521 -178.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 81.4 p -68.63 169.74 10.57 Favored 'General case' 0 C--O 1.248 0.982 0 CA-C-O 121.301 0.572 . . . . 46.71 111.676 177.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.22 82.37 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.246 0.546 . . . . 47.42 110.899 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -59.62 -57.55 12.46 Favored 'General case' 0 N--CA 1.451 -0.38 0 N-CA-C 109.265 -0.643 . . . . 56.31 109.265 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -55.64 -37.88 68.81 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.819 0.448 . . . . 52.07 112.082 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.4 mt -72.33 -38.76 68.55 Favored 'General case' 0 CA--C 1.556 1.178 0 CA-C-O 121.182 0.515 . . . . 52.28 111.21 178.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.2 t-80 -61.62 -41.84 98.04 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 121.299 -0.876 . . . . 52.7 110.805 175.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -66.03 -28.98 69.27 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 113.366 0.876 . . . . 57.45 113.366 -176.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -85.43 -33.11 22.0 Favored 'General case' 0 C--O 1.245 0.866 0 N-CA-C 109.032 -0.729 . . . . 52.65 109.032 -175.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 mt -62.1 -45.51 93.18 Favored 'General case' 0 CA--C 1.5 -0.954 0 CA-C-N 115.193 -0.912 . . . . 49.12 109.646 172.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.62 -47.45 84.32 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 115.185 -0.916 . . . . 61.28 110.471 176.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.7 ttp85 -61.6 -34.7 76.09 Favored 'General case' 0 CA--C 1.519 -0.23 0 C-N-CA 122.921 0.488 . . . . 47.23 111.039 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -80.78 7.54 10.15 Favored 'General case' 0 N--CA 1.477 0.889 0 N-CA-C 115.71 1.744 . . . . 60.28 115.71 175.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 96.63 -6.91 65.37 Favored Glycine 0 N--CA 1.47 0.918 0 N-CA-C 116.72 1.448 . . . . 48.72 116.72 169.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -68.92 157.71 36.09 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 122.157 0.98 . . . . 61.25 111.006 174.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -131.32 90.83 2.93 Favored 'General case' 0 N--CA 1.431 -1.406 0 N-CA-C 103.924 -2.621 . . . . 57.39 103.924 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.689 HG12 ' HG2' ' A' ' 12' ' ' GLN . 51.5 mt -136.05 113.21 13.89 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 O-C-N 124.247 0.967 . . . . 50.13 109.619 -175.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.27 147.71 34.64 Favored Glycine 0 C--O 1.245 0.788 0 C-N-CA 120.412 -0.899 . . . . 48.12 113.66 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.19 -39.66 66.84 Favored 'General case' 0 CA--C 1.553 1.062 0 N-CA-C 113.962 1.097 . . . . 47.0 113.962 173.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.3 m -59.23 -40.22 85.19 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 117.527 -1.669 . . . . 47.74 112.326 175.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 34.2 m -69.78 -39.91 76.34 Favored 'General case' 0 C--O 1.248 1.022 0 N-CA-C 108.258 -1.015 . . . . 47.96 108.258 -176.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.9 t -59.61 -52.98 54.63 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 O-C-N 123.864 0.728 . . . . 49.03 112.285 177.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -53.61 -49.51 67.66 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 116.314 -0.403 . . . . 56.52 110.945 178.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . . . -59.69 -40.52 88.12 Favored 'General case' 0 CA--C 1.564 1.514 0 N-CA-C 113.461 0.911 . . . . 49.13 113.461 178.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 75.3 m -65.35 -52.83 51.17 Favored 'General case' 0 C--O 1.22 -0.471 0 N-CA-C 109.413 -0.588 . . . . 50.53 109.413 179.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.4 mt -55.39 -36.96 66.97 Favored 'General case' 0 N--CA 1.447 -0.605 0 N-CA-C 113.181 0.808 . . . . 48.6 113.181 178.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -59.32 -49.42 77.91 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-O 119.033 -0.508 . . . . 61.68 112.13 171.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . . . -56.62 -46.15 81.1 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 109.261 -0.644 . . . . 48.88 109.261 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' MET . . . . . 0.421 ' HB3' HG13 ' A' ' 61' ' ' VAL . 32.9 mtt -62.15 -40.63 96.6 Favored 'General case' 0 C--O 1.247 0.931 0 C-N-CA 119.834 -0.747 . . . . 50.98 112.927 -179.194 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.68 -16.97 63.45 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 115.718 -0.674 . . . . 48.74 111.914 -174.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . 0.617 ' HB2' ' O ' ' A' ' 89' ' ' CYS . 55.1 p -121.58 12.38 10.73 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.285 1.587 . . . . 48.19 115.285 -179.443 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 96.1 p -115.8 -1.61 12.58 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.56 0.695 . . . . 49.15 109.792 169.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.66 36.5 13.75 Favored Glycine 0 N--CA 1.442 -0.913 0 CA-C-N 115.003 -0.999 . . . . 51.83 114.453 173.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.88 -41.51 6.13 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 109.494 -0.558 . . . . 52.87 109.494 173.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.421 HG13 ' HB3' ' A' ' 55' ' ' MET . 3.6 m -110.72 152.65 12.65 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 113.215 0.82 . . . . 52.22 113.215 169.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -99.68 155.46 17.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.765 -0.652 . . . . 56.28 109.977 171.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.7 154.81 48.61 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 114.21 1.189 . . . . 53.46 114.21 -172.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.2 mt -141.44 161.13 38.66 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.512 0.725 . . . . 55.19 110.965 168.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -113.95 107.51 15.78 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-O 121.155 0.502 . . . . 62.32 111.337 173.966 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 p -72.29 159.53 33.9 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 113.179 0.807 . . . . 61.01 113.179 -176.702 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.14 -19.25 1.84 Allowed 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 115.543 1.683 . . . . 60.36 115.543 -178.152 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -64.13 -55.86 18.91 Favored 'General case' 0 CA--C 1.554 1.125 0 CA-C-N 116.493 -0.321 . . . . 60.59 110.6 167.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 136.97 -22.89 3.24 Favored Glycine 0 CA--C 1.529 0.919 0 N-CA-C 109.951 -1.26 . . . . 60.02 109.951 -172.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.41 138.1 57.77 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 113.232 0.827 . . . . 65.82 113.232 177.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 16.6 m -78.03 134.98 37.68 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 114.441 -1.254 . . . . 53.51 109.153 169.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.7 m -118.31 155.73 20.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 N-CA-C 109.3 -0.63 . . . . 49.88 109.3 173.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -137.79 147.04 44.29 Favored 'General case' 0 N--CA 1.485 1.31 0 N-CA-C 114.29 1.218 . . . . 51.51 114.29 -169.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -147.16 140.33 25.28 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 123.717 0.807 . . . . 51.81 110.634 172.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . . . -55.7 141.65 37.25 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 104.928 -2.249 . . . . 51.7 104.928 165.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.0 t -46.26 139.33 4.79 Favored 'General case' 0 C--O 1.24 0.556 0 O-C-N 124.088 0.867 . . . . 52.96 112.767 -174.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . . . -72.16 -4.84 31.58 Favored 'General case' 0 N--CA 1.495 1.818 1 N-CA-C 122.577 4.288 . . . . 54.02 122.577 -150.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . . . 69.97 -41.44 0.49 Allowed 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 115.789 1.774 . . . . 53.91 115.789 -178.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -74.13 138.74 44.07 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 122.545 0.338 . . . . 56.08 110.975 169.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.416 ' NE2' ' OE2' ' A' ' 101' ' ' GLU . 16.3 t60 -58.32 120.43 8.72 Favored 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 113.549 0.944 . . . . 50.4 113.549 -173.663 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 41.6 p-80 -149.7 176.76 10.39 Favored 'General case' 0 CA--C 1.527 0.069 0 CA-C-N 115.714 -0.676 . . . . 55.11 110.436 175.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.6 m-70 -122.32 174.37 7.04 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-O 120.612 0.244 . . . . 49.39 110.928 171.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -122.97 145.04 48.83 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 115.716 1.746 . . . . 54.98 115.716 -177.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 46.7 tp -94.71 136.16 35.35 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 114.155 -1.384 . . . . 50.84 107.757 164.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.0 t -134.19 139.47 48.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 114.606 1.336 . . . . 51.42 114.606 -179.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.95 120.13 23.1 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.648 -0.706 . . . . 53.27 112.54 173.52 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 40.5 mtt85 -55.59 -29.26 58.77 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.48 0.919 . . . . 59.97 113.48 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.2 m -90.85 -39.32 12.4 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 116.502 2.038 . . . . 51.95 116.502 -169.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' CYS . . . . . 0.617 ' O ' ' HB2' ' A' ' 57' ' ' SER . 30.3 p -120.82 -12.61 8.79 Favored 'General case' 0 CA--C 1.541 0.619 0 N-CA-C 114.496 1.295 . . . . 54.15 114.496 -178.865 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 88.21 0.2 83.05 Favored Glycine 0 CA--C 1.533 1.184 0 N-CA-C 115.579 0.992 . . . . 55.01 115.579 177.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.6 t -43.78 117.1 1.09 Allowed 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.925 0.49 . . . . 54.4 111.871 176.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.6 m -104.1 124.08 48.41 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 120.767 0.318 . . . . 53.54 111.512 -176.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 72.0 mt -117.28 138.9 46.46 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.674 0 N-CA-C 108.006 -1.109 . . . . 52.12 108.006 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 71.8 tt0 -78.74 132.48 36.96 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.076 0.86 . . . . 51.43 111.669 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 30.7 m -137.41 152.07 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.211 0 O-C-N 124.216 0.948 . . . . 53.71 112.119 177.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 97' ' ' ASP . . . -164.05 -174.92 34.41 Favored Glycine 0 N--CA 1.469 0.879 0 C-N-CA 121.603 -0.332 . . . . 55.05 113.065 179.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ASP . . . . . 0.417 ' HB2' ' O ' ' A' ' 96' ' ' GLY . 5.7 t70 179.27 129.9 0.08 Allowed 'General case' 0 C--O 1.242 0.683 0 CA-C-O 120.936 0.398 . . . . 57.43 111.663 174.524 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -56.18 -48.77 75.72 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 115.139 -0.937 . . . . 59.68 110.633 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . . . -90.04 -0.67 57.71 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 114.382 1.252 . . . . 55.61 114.382 -170.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 t -89.59 -49.8 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 109.107 -0.701 . . . . 55.74 109.107 166.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' OE2' ' NE2' ' A' ' 80' ' ' HIS . 10.5 tp10 -56.52 -31.56 64.23 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 124.266 1.026 . . . . 58.37 111.502 175.455 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.01 -46.97 69.78 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.123 0.487 . . . . 54.9 111.224 177.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.451 ' O ' HG22 ' A' ' 107' ' ' VAL . 45.8 t90 -55.98 -52.98 62.25 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.8 -0.636 . . . . 54.37 110.539 178.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.03 -34.17 55.2 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 115.606 1.706 . . . . 53.74 115.606 -178.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -75.51 -52.35 10.86 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.982 0.734 . . . . 53.91 112.982 -179.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . . . -61.15 -43.37 98.98 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 119.126 -0.464 . . . . 54.12 111.464 -176.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.451 HG22 ' O ' ' A' ' 103' ' ' TRP . 2.9 m -60.92 -26.93 40.27 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 N-CA-C 114.953 1.464 . . . . 53.82 114.953 -179.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -75.07 -51.84 12.5 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 120.301 -0.559 . . . . 54.17 111.497 174.478 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -71.81 -6.2 39.79 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 121.439 0.637 . . . . 55.23 111.475 179.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.45 -50.85 23.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.188 -0.915 . . . . 62.1 109.784 172.983 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 m80 -85.56 2.52 44.58 Favored 'General case' 0 C--O 1.252 1.23 0 N-CA-C 112.733 0.642 . . . . 52.97 112.733 -179.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 78.22 55.56 3.99 Favored Glycine 0 C--N 1.335 0.499 0 CA-C-N 115.799 -0.637 . . . . 53.07 113.936 173.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -110.63 134.66 52.23 Favored 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.5 1.12 . . . . 53.13 110.937 -178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . . . -100.0 163.02 12.62 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 108.505 -0.924 . . . . 52.92 108.505 172.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 53.95 58.74 4.79 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 125.652 1.581 . . . . 53.08 113.535 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.2 t -75.46 145.81 10.21 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 N-CA-C 113.072 0.767 . . . . 52.7 113.072 -176.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 92.8 p -153.92 165.3 36.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 108.378 -0.971 . . . . 54.0 108.378 171.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -154.06 151.05 28.87 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.252 0.464 . . . . 55.97 112.252 -172.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' THR . . . . . . . . . . . . . 6.4 p -131.73 126.86 35.55 Favored 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 120.199 -0.601 . . . . 59.0 110.261 169.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 67.3 mt -123.64 124.87 70.38 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 N-CA-C 106.914 -1.513 . . . . 57.2 106.914 178.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 85.9 mt-10 -137.37 134.97 36.56 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.456 -0.942 . . . . 64.81 108.456 -178.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ILE . . . . . . . . . . . . . 24.3 mt -116.16 154.04 17.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 120.52 -0.472 . . . . 52.54 111.768 172.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -148.58 156.16 42.06 Favored 'General case' 0 CA--C 1.508 -0.645 0 N-CA-C 107.651 -1.241 . . . . 53.51 107.651 -173.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 175.93 172.17 40.46 Favored Glycine 0 N--CA 1.472 1.057 0 N-CA-C 110.163 -1.175 . . . . 51.34 110.163 178.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' THR . . . . . . . . . . . . . . . -96.7 119.08 34.52 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 108.801 -0.815 . . . . 54.47 108.801 178.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 1.3 p -73.34 169.64 16.7 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 115.061 1.504 . . . . 56.88 115.061 -166.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 47.3 t -63.52 -50.99 67.41 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.126 -0.943 . . . . 60.29 112.55 -172.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -50.48 -38.66 45.1 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.242 1.417 . . . . 65.05 113.324 164.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' CYS . . . . . . . . . . . . . 1.3 m -78.21 -16.09 58.18 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 117.181 2.289 . . . . 64.51 117.181 -174.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' ARG . . . . . . . . . . . . . 73.8 mtm-85 . . . . . 0 N--CA 1.455 -0.178 0 N-CA-C 106.639 -1.615 . . . . 66.97 106.639 163.888 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_