data_1uny_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 1uny _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 113.791 1.034 . . . . 81.260000000000005 113.791 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -37.22 81.92 Favored 'General case' 0 CA--C 1.576 1.947 0 O-C-N 121.933 -0.48 . . . . 64.609999999999999 110.719 164.511 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . 0.501 ' CD ' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -68.83 -29.26 67.55 Favored 'General case' 0 CA--C 1.461 -2.475 0 CA-C-O 123.227 1.489 . . . . 55.990000000000002 110.045 174.761 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -33.49 64.5 Favored 'General case' 0 N--CA 1.404 -2.763 0 C-N-CA 115.466 -2.494 . . . . 66.180000000000007 109.773 -173.5 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -74.92 -43.85 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.549 0 N-CA-C 104.598 -2.371 . . . . 42.799999999999997 104.598 -174.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -61.5 -39.27 90.36 Favored 'General case' 0 C--O 1.191 -1.982 0 N-CA-C 114.117 1.155 . . . . 62.479999999999997 114.117 176.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . 0.501 ' OD1' ' CD ' ' A' ' 3' ' ' LYS . 74.2 m-20 -57.78 -49.98 74.79 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-O 121.407 0.622 . . . . 38.719999999999999 112.194 176.185 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -63.34 -35.21 79.62 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 114.582 1.327 . . . . 51.810000000000002 114.582 175.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.8 mt -55.73 -38.32 69.62 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 114.293 1.22 . . . . 32.149999999999999 114.293 171.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.2 -41.09 64.21 Favored 'General case' 0 CA--C 1.462 -2.434 0 CA-C-N 114.512 -1.222 . . . . 49.890000000000001 108.149 -168.394 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -59.76 -49.03 79.3 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.013 2.071 . . . . 37.130000000000003 114.474 168.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -51.19 -48.1 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.378 0 O-C-N 119.755 -1.841 . . . . 24.170000000000002 113.69 171.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.62 -38.22 89.38 Favored 'General case' 0 C--N 1.286 -2.156 0 O-C-N 120.789 -1.194 . . . . 33.560000000000002 112.262 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 t -62.25 -36.83 83.22 Favored 'General case' 0 N--CA 1.509 2.506 0 CA-C-O 123.751 1.739 . . . . 29.219999999999999 111.876 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -41.63 99.4 Favored 'General case' 0 C--O 1.169 -3.132 0 O-C-N 118.646 -2.534 . . . . 43.780000000000001 110.586 175.681 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.4 -43.41 98.88 Favored 'General case' 0 C--O 1.167 -3.284 0 N-CA-C 107.968 -1.123 . . . . 25.77 107.968 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -63.53 -35.58 80.93 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 120.477 1.489 . . . . 34.609999999999999 113.259 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -67.85 -42.67 80.99 Favored 'General case' 0 C--N 1.284 -2.259 0 O-C-N 119.758 -1.838 . . . . 41.200000000000003 112.835 174.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.6 mt -53.56 -42.28 49.37 Favored 'Isoleucine or valine' 0 C--O 1.277 2.504 0 N-CA-C 115.586 1.698 . . . . 29.609999999999999 115.586 167.877 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -57.08 -38.52 73.44 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 115.813 1.783 . . . . 49.740000000000002 115.813 169.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -67.66 -38.2 83.46 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 118.474 -2.641 . . . . 48.890000000000001 112.549 177.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.73 -32.26 70.38 Favored 'General case' 0 C--O 1.252 1.224 0 N-CA-C 106.994 -1.484 . . . . 46.039999999999999 106.994 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -81.05 -39.31 25.98 Favored 'General case' 0 C--O 1.255 1.36 0 N-CA-C 108.013 -1.106 . . . . 45.649999999999999 108.013 -174.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.4 89.71 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.769 0.668 . . . . 52.890000000000001 112.292 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -51.65 -58.61 5.88 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.413 2.375 . . . . 78.159999999999997 117.413 167.481 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.12 -26.72 67.89 Favored Glycine 0 C--O 1.255 1.457 0 CA-C-O 116.348 -2.362 . . . . 65.890000000000001 115.846 -169.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.261 -3.253 0 CA-C-N 118.594 1.197 . . . . 65.159999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 . . . . . 0 CA--C 1.603 3.0 0 N-CA-C 116.36 1.985 . . . . 84.519999999999996 116.36 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -48.95 -20.85 0.56 Allowed 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 115.999 1.852 . . . . 63.039999999999999 115.999 151.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -65.52 -40.84 93.45 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 118.602 -2.561 . . . . 67.540000000000006 112.06 175.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.61 -45.98 34.34 Favored 'General case' 0 C--O 1.202 -1.428 0 O-C-N 124.594 1.184 . . . . 71.489999999999995 109.072 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.4 mt -52.61 -44.44 45.83 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.86 0 C-N-CA 124.03 0.932 . . . . 48.82 110.015 171.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -73.01 -32.43 65.13 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 105.625 -1.991 . . . . 62.359999999999999 105.625 -173.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -74.11 -32.49 63.22 Favored 'General case' 0 C--O 1.193 -1.882 0 C-N-CA 118.112 -1.435 . . . . 60.369999999999997 112.23 -179.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -38.47 75.79 Favored 'General case' 0 C--O 1.176 -2.777 0 C-N-CA 123.135 0.574 . . . . 55.939999999999998 110.023 177.149 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.67 -44.62 96.25 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.555 -0.716 . . . . 33.32 111.408 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . 0.556 ' O ' ' OG ' ' B' ' 14' ' ' SER . 0.3 OUTLIER -68.3 -37.61 80.8 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 114.423 1.268 . . . . 54.310000000000002 114.423 179.133 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -67.07 -38.28 85.49 Favored 'General case' 0 C--O 1.154 -3.974 0 CA-C-N 114.268 -1.333 . . . . 44.740000000000002 112.75 172.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mt -57.92 -47.26 86.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 119.704 -1.872 . . . . 25.050000000000001 111.764 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -52.16 66.85 Favored 'General case' 0 CA--C 1.464 -2.361 0 C-N-CA 126.605 1.962 . . . . 40.460000000000001 114.211 179.454 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . 0.556 ' OG ' ' O ' ' B' ' 10' ' ' GLU . 0.7 OUTLIER -57.1 -47.67 80.5 Favored 'General case' 0 N--CA 1.404 -2.763 0 N-CA-C 116.846 2.165 . . . . 40.399999999999999 116.846 170.589 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.39 -37.14 67.19 Favored 'General case' 0 C--O 1.253 1.247 0 N-CA-C 116.707 2.114 . . . . 56.229999999999997 116.707 169.538 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.75 -40.61 95.74 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 117.639 2.459 . . . . 23.079999999999998 117.639 169.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -62.3 -44.35 96.71 Favored 'General case' 0 CA--C 1.468 -2.187 0 O-C-N 119.976 -1.703 . . . . 31.760000000000002 111.756 169.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -57.08 -43.66 82.37 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 116.779 2.14 . . . . 38.909999999999997 116.779 174.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mt -66.01 -48.45 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.224 0 N-CA-C 112.8 0.667 . . . . 25.800000000000001 112.8 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -50.27 -45.37 54.29 Favored 'General case' 0 C--O 1.193 -1.893 0 N-CA-C 114.694 1.368 . . . . 39.609999999999999 114.694 171.87 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -66.24 -38.07 87.0 Favored 'General case' 0 C--O 1.181 -2.534 0 C-N-CA 123.214 0.606 . . . . 27.690000000000001 112.527 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.1 -42.08 99.51 Favored 'General case' 0 C--O 1.19 -2.071 0 O-C-N 121.209 -0.932 . . . . 41.350000000000001 110.416 172.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.73 -34.1 77.42 Favored 'General case' 0 N--CA 1.418 -2.026 0 CA-C-O 122.276 1.036 . . . . 31.399999999999999 110.696 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.1 -36.06 55.93 Favored 'General case' 0 C--O 1.172 -3.015 0 O-C-N 120.414 -1.429 . . . . 39.270000000000003 109.103 -175.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -63.22 -32.93 74.45 Favored 'General case' 0 CA--C 1.576 1.979 0 CA-C-O 122.951 1.358 . . . . 55.640000000000001 109.332 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.63 -42.25 27.1 Favored Glycine 0 C--O 1.2 -2.015 0 CA-C-O 118.342 -1.255 . . . . 56.460000000000001 112.143 -175.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -38.84 91.95 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 118.039 0.92 . . . . 73.109999999999999 110.63 178.418 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -57.86 10.5 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 120.151 -0.62 . . . . 74.180000000000007 109.905 178.058 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.51 -28.66 69.99 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.42 1.637 . . . . 80.579999999999998 115.42 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.39 -67.2 0.27 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 116.194 1.924 . . . . 81.900000000000006 116.194 171.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.821 0 O-C-N 117.988 -2.945 . . . . 81.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 113.791 1.034 . . . . 81.260000000000005 113.791 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -37.22 81.92 Favored 'General case' 0 CA--C 1.576 1.947 0 O-C-N 121.933 -0.48 . . . . 64.609999999999999 110.719 164.511 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . 0.661 ' HD2' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -68.83 -29.26 67.55 Favored 'General case' 0 CA--C 1.461 -2.475 0 CA-C-O 123.227 1.489 . . . . 55.990000000000002 110.045 174.761 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -33.49 64.5 Favored 'General case' 0 N--CA 1.404 -2.763 0 C-N-CA 115.466 -2.494 . . . . 66.180000000000007 109.773 -173.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -74.92 -43.85 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.549 0 N-CA-C 104.598 -2.371 . . . . 42.799999999999997 104.598 -174.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -61.5 -39.27 90.36 Favored 'General case' 0 C--O 1.191 -1.982 0 N-CA-C 114.117 1.155 . . . . 62.479999999999997 114.117 176.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . 0.661 ' OD1' ' HD2' ' A' ' 3' ' ' LYS . 74.2 m-20 -57.78 -49.98 74.79 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-O 121.407 0.622 . . . . 38.719999999999999 112.194 176.185 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -63.34 -35.21 79.62 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 114.582 1.327 . . . . 51.810000000000002 114.582 175.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.8 mt -55.73 -38.32 69.62 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 114.293 1.22 . . . . 32.149999999999999 114.293 171.784 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.2 -41.09 64.21 Favored 'General case' 0 CA--C 1.462 -2.434 0 CA-C-N 114.512 -1.222 . . . . 49.890000000000001 108.149 -168.394 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -59.76 -49.03 79.3 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.013 2.071 . . . . 37.130000000000003 114.474 168.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -51.19 -48.1 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.378 0 O-C-N 119.755 -1.841 . . . . 24.170000000000002 113.69 171.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.62 -38.22 89.38 Favored 'General case' 0 C--N 1.286 -2.156 0 O-C-N 120.789 -1.194 . . . . 33.560000000000002 112.262 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 t -62.25 -36.83 83.22 Favored 'General case' 0 N--CA 1.509 2.506 0 CA-C-O 123.751 1.739 . . . . 29.219999999999999 111.876 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -41.63 99.4 Favored 'General case' 0 C--O 1.169 -3.132 0 O-C-N 118.646 -2.534 . . . . 43.780000000000001 110.586 175.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.4 -43.41 98.88 Favored 'General case' 0 C--O 1.167 -3.284 0 N-CA-C 107.968 -1.123 . . . . 25.77 107.968 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -63.53 -35.58 80.93 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 120.477 1.489 . . . . 34.609999999999999 113.259 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -67.85 -42.67 80.99 Favored 'General case' 0 C--N 1.284 -2.259 0 O-C-N 119.758 -1.838 . . . . 41.200000000000003 112.835 174.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.6 mt -53.56 -42.28 49.37 Favored 'Isoleucine or valine' 0 C--O 1.277 2.504 0 N-CA-C 115.586 1.698 . . . . 29.609999999999999 115.586 167.877 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' B' 2002 ' ' HOH . 7.8 mm-40 -57.08 -38.52 73.44 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 115.813 1.783 . . . . 49.740000000000002 115.813 169.116 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -67.66 -38.2 83.46 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 118.474 -2.641 . . . . 48.890000000000001 112.549 177.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.73 -32.26 70.38 Favored 'General case' 0 C--O 1.252 1.224 0 N-CA-C 106.994 -1.484 . . . . 46.039999999999999 106.994 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -81.05 -39.31 25.98 Favored 'General case' 0 C--O 1.255 1.36 0 N-CA-C 108.013 -1.106 . . . . 45.649999999999999 108.013 -174.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.4 89.71 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.769 0.668 . . . . 52.890000000000001 112.292 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 0.534 HH11 ' HG3' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -51.65 -58.61 5.88 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.413 2.375 . . . . 78.159999999999997 117.413 167.481 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.12 -26.72 67.89 Favored Glycine 0 C--O 1.255 1.457 0 CA-C-O 116.348 -2.362 . . . . 65.890000000000001 115.846 -169.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.261 -3.253 0 CA-C-N 118.594 1.197 . . . . 65.159999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . 0.431 ' HG3' ' H ' ' B' ' 2' ' ' MET . 3.6 tpp180 . . . . . 0 CA--C 1.603 3.0 0 N-CA-C 116.36 1.985 . . . . 84.519999999999996 116.36 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . 0.431 ' H ' ' HG3' ' B' ' 1' ' ' ARG . 0.9 OUTLIER -48.95 -20.85 0.56 Allowed 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 115.999 1.852 . . . . 63.039999999999999 115.999 151.888 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.412 ' HE2' ' OD1' ' B' ' 7' ' ' ASP . 11.4 tptm -65.52 -40.84 93.45 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 118.602 -2.561 . . . . 67.540000000000006 112.06 175.209 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.61 -45.98 34.34 Favored 'General case' 0 C--O 1.202 -1.428 0 O-C-N 124.594 1.184 . . . . 71.489999999999995 109.072 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.4 mt -52.61 -44.44 45.83 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.86 0 C-N-CA 124.03 0.932 . . . . 48.82 110.015 171.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -73.01 -32.43 65.13 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 105.625 -1.991 . . . . 62.359999999999999 105.625 -173.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . 0.412 ' OD1' ' HE2' ' B' ' 3' ' ' LYS . 19.1 m-20 -74.11 -32.49 63.22 Favored 'General case' 0 C--O 1.193 -1.882 0 C-N-CA 118.112 -1.435 . . . . 60.369999999999997 112.23 -179.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -38.47 75.79 Favored 'General case' 0 C--O 1.176 -2.777 0 C-N-CA 123.135 0.574 . . . . 55.939999999999998 110.023 177.149 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.67 -44.62 96.25 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.555 -0.716 . . . . 33.32 111.408 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . 0.539 ' O ' ' OG ' ' B' ' 14' ' ' SER . 0.3 OUTLIER -68.3 -37.61 80.8 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 114.423 1.268 . . . . 54.310000000000002 114.423 179.133 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -67.07 -38.28 85.49 Favored 'General case' 0 C--O 1.154 -3.974 0 CA-C-N 114.268 -1.333 . . . . 44.740000000000002 112.75 172.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mt -57.92 -47.26 86.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 119.704 -1.872 . . . . 25.050000000000001 111.764 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -52.16 66.85 Favored 'General case' 0 CA--C 1.464 -2.361 0 C-N-CA 126.605 1.962 . . . . 40.460000000000001 114.211 179.454 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . 0.539 ' OG ' ' O ' ' B' ' 10' ' ' GLU . 0.7 OUTLIER -57.1 -47.67 80.5 Favored 'General case' 0 N--CA 1.404 -2.763 0 N-CA-C 116.846 2.165 . . . . 40.399999999999999 116.846 170.589 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.39 -37.14 67.19 Favored 'General case' 0 C--O 1.253 1.247 0 N-CA-C 116.707 2.114 . . . . 56.229999999999997 116.707 169.538 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.75 -40.61 95.74 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 117.639 2.459 . . . . 23.079999999999998 117.639 169.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -62.3 -44.35 96.71 Favored 'General case' 0 CA--C 1.468 -2.187 0 O-C-N 119.976 -1.703 . . . . 31.760000000000002 111.756 169.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -57.08 -43.66 82.37 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 116.779 2.14 . . . . 38.909999999999997 116.779 174.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mt -66.01 -48.45 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.224 0 N-CA-C 112.8 0.667 . . . . 25.800000000000001 112.8 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -50.27 -45.37 54.29 Favored 'General case' 0 C--O 1.193 -1.893 0 N-CA-C 114.694 1.368 . . . . 39.609999999999999 114.694 171.87 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -66.24 -38.07 87.0 Favored 'General case' 0 C--O 1.181 -2.534 0 C-N-CA 123.214 0.606 . . . . 27.690000000000001 112.527 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.1 -42.08 99.51 Favored 'General case' 0 C--O 1.19 -2.071 0 O-C-N 121.209 -0.932 . . . . 41.350000000000001 110.416 172.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.73 -34.1 77.42 Favored 'General case' 0 N--CA 1.418 -2.026 0 CA-C-O 122.276 1.036 . . . . 31.399999999999999 110.696 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.1 -36.06 55.93 Favored 'General case' 0 C--O 1.172 -3.015 0 O-C-N 120.414 -1.429 . . . . 39.270000000000003 109.103 -175.855 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -63.22 -32.93 74.45 Favored 'General case' 0 CA--C 1.576 1.979 0 CA-C-O 122.951 1.358 . . . . 55.640000000000001 109.332 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.63 -42.25 27.1 Favored Glycine 0 C--O 1.2 -2.015 0 CA-C-O 118.342 -1.255 . . . . 56.460000000000001 112.143 -175.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -38.84 91.95 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 118.039 0.92 . . . . 73.109999999999999 110.63 178.418 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -57.86 10.5 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 120.151 -0.62 . . . . 74.180000000000007 109.905 178.058 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.51 -28.66 69.99 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.42 1.637 . . . . 80.579999999999998 115.42 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.39 -67.2 0.27 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 116.194 1.924 . . . . 81.900000000000006 116.194 171.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.821 0 O-C-N 117.988 -2.945 . . . . 81.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2002 ' ' HOH . . . . . 0.429 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.481 0 N-CA-C 113.791 1.034 . . . . 81.260000000000005 113.791 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -37.22 81.92 Favored 'General case' 0 CA--C 1.576 1.947 0 O-C-N 121.933 -0.48 . . . . 64.609999999999999 110.719 164.511 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.661 ' HD2' ' OD1' ' A' ' 7' ' ' ASP . 0.0 OUTLIER -68.83 -29.26 67.55 Favored 'General case' 0 CA--C 1.461 -2.475 0 CA-C-O 123.227 1.489 . . . . 55.990000000000002 110.045 174.761 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -73.66 -33.49 64.5 Favored 'General case' 0 N--CA 1.404 -2.763 0 C-N-CA 115.466 -2.494 . . . . 66.180000000000007 109.773 -173.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.8 mt -74.92 -43.85 45.5 Favored 'Isoleucine or valine' 0 N--CA 1.408 -2.549 0 N-CA-C 104.598 -2.371 . . . . 42.799999999999997 104.598 -174.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -61.5 -39.27 90.36 Favored 'General case' 0 C--O 1.191 -1.982 0 N-CA-C 114.117 1.155 . . . . 62.479999999999997 114.117 176.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.661 ' OD1' ' HD2' ' A' ' 3' ' ' LYS . 74.2 m-20 -57.78 -49.98 74.79 Favored 'General case' 0 N--CA 1.418 -2.043 0 CA-C-O 121.407 0.622 . . . . 38.719999999999999 112.194 176.185 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -63.34 -35.21 79.62 Favored 'General case' 0 N--CA 1.437 -1.083 0 N-CA-C 114.582 1.327 . . . . 51.810000000000002 114.582 175.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 24.8 mt -55.73 -38.32 69.62 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 114.293 1.22 . . . . 32.149999999999999 114.293 171.784 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.2 -41.09 64.21 Favored 'General case' 0 CA--C 1.462 -2.434 0 CA-C-N 114.512 -1.222 . . . . 49.890000000000001 108.149 -168.394 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -59.76 -49.03 79.3 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 126.013 2.071 . . . . 37.130000000000003 114.474 168.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.5 mt -51.19 -48.1 32.04 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.378 0 O-C-N 119.755 -1.841 . . . . 24.170000000000002 113.69 171.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.62 -38.22 89.38 Favored 'General case' 0 C--N 1.286 -2.156 0 O-C-N 120.789 -1.194 . . . . 33.560000000000002 112.262 179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 t -62.25 -36.83 83.22 Favored 'General case' 0 N--CA 1.509 2.506 0 CA-C-O 123.751 1.739 . . . . 29.219999999999999 111.876 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.11 -41.63 99.4 Favored 'General case' 0 C--O 1.169 -3.132 0 O-C-N 118.646 -2.534 . . . . 43.780000000000001 110.586 175.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.4 -43.41 98.88 Favored 'General case' 0 C--O 1.167 -3.284 0 N-CA-C 107.968 -1.123 . . . . 25.77 107.968 179.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -63.53 -35.58 80.93 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-N 120.477 1.489 . . . . 34.609999999999999 113.259 174.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -67.85 -42.67 80.99 Favored 'General case' 0 C--N 1.284 -2.259 0 O-C-N 119.758 -1.838 . . . . 41.200000000000003 112.835 174.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 39.6 mt -53.56 -42.28 49.37 Favored 'Isoleucine or valine' 0 C--O 1.277 2.504 0 N-CA-C 115.586 1.698 . . . . 29.609999999999999 115.586 167.877 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' B' 2002 ' ' HOH . 7.8 mm-40 -57.08 -38.52 73.44 Favored 'General case' 0 N--CA 1.5 2.049 0 N-CA-C 115.813 1.783 . . . . 49.740000000000002 115.813 169.116 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -67.66 -38.2 83.46 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 118.474 -2.641 . . . . 48.890000000000001 112.549 177.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -59.73 -32.26 70.38 Favored 'General case' 0 C--O 1.252 1.224 0 N-CA-C 106.994 -1.484 . . . . 46.039999999999999 106.994 -179.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 89.2 mt -81.05 -39.31 25.98 Favored 'General case' 0 C--O 1.255 1.36 0 N-CA-C 108.013 -1.106 . . . . 45.649999999999999 108.013 -174.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.73 -45.4 89.71 Favored 'General case' 0 N--CA 1.475 0.817 0 O-C-N 123.769 0.668 . . . . 52.890000000000001 112.292 178.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.534 HH11 ' HG3' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -51.65 -58.61 5.88 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 117.413 2.375 . . . . 78.159999999999997 117.413 167.481 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -62.12 -26.72 67.89 Favored Glycine 0 C--O 1.255 1.457 0 CA-C-O 116.348 -2.362 . . . . 65.890000000000001 115.846 -169.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.261 -3.253 0 CA-C-N 118.594 1.197 . . . . 65.159999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . 0.431 ' HG3' ' H ' ' B' ' 2' ' ' MET . 3.6 tpp180 . . . . . 0 CA--C 1.603 3.0 0 N-CA-C 116.36 1.985 . . . . 84.519999999999996 116.36 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . 0.431 ' H ' ' HG3' ' B' ' 1' ' ' ARG . 0.9 OUTLIER -48.95 -20.85 0.56 Allowed 'General case' 0 CA--C 1.563 1.451 0 N-CA-C 115.999 1.852 . . . . 63.039999999999999 115.999 151.888 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.412 ' HE2' ' OD1' ' B' ' 7' ' ' ASP . 11.4 tptm -65.52 -40.84 93.45 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 118.602 -2.561 . . . . 67.540000000000006 112.06 175.209 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -75.61 -45.98 34.34 Favored 'General case' 0 C--O 1.202 -1.428 0 O-C-N 124.594 1.184 . . . . 71.489999999999995 109.072 -176.233 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 9.4 mt -52.61 -44.44 45.83 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.86 0 C-N-CA 124.03 0.932 . . . . 48.82 110.015 171.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -73.01 -32.43 65.13 Favored 'General case' 0 N--CA 1.426 -1.665 0 N-CA-C 105.625 -1.991 . . . . 62.359999999999999 105.625 -173.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.412 ' OD1' ' HE2' ' B' ' 3' ' ' LYS . 19.1 m-20 -74.11 -32.49 63.22 Favored 'General case' 0 C--O 1.193 -1.882 0 C-N-CA 118.112 -1.435 . . . . 60.369999999999997 112.23 -179.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.06 -38.47 75.79 Favored 'General case' 0 C--O 1.176 -2.777 0 C-N-CA 123.135 0.574 . . . . 55.939999999999998 110.023 177.149 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 74.1 mt -60.67 -44.62 96.25 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.555 -0.716 . . . . 33.32 111.408 175.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.539 ' O ' ' OG ' ' B' ' 14' ' ' SER . 0.3 OUTLIER -68.3 -37.61 80.8 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 114.423 1.268 . . . . 54.310000000000002 114.423 179.133 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 76.8 tt0 -67.07 -38.28 85.49 Favored 'General case' 0 C--O 1.154 -3.974 0 CA-C-N 114.268 -1.333 . . . . 44.740000000000002 112.75 172.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mt -57.92 -47.26 86.87 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.635 0 O-C-N 119.704 -1.872 . . . . 25.050000000000001 111.764 174.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.34 -52.16 66.85 Favored 'General case' 0 CA--C 1.464 -2.361 0 C-N-CA 126.605 1.962 . . . . 40.460000000000001 114.211 179.454 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . 0.539 ' OG ' ' O ' ' B' ' 10' ' ' GLU . 0.7 OUTLIER -57.1 -47.67 80.5 Favored 'General case' 0 N--CA 1.404 -2.763 0 N-CA-C 116.846 2.165 . . . . 40.399999999999999 116.846 170.589 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.39 -37.14 67.19 Favored 'General case' 0 C--O 1.253 1.247 0 N-CA-C 116.707 2.114 . . . . 56.229999999999997 116.707 169.538 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 89.2 mt -61.75 -40.61 95.74 Favored 'General case' 0 N--CA 1.503 2.214 0 N-CA-C 117.639 2.459 . . . . 23.079999999999998 117.639 169.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -62.3 -44.35 96.71 Favored 'General case' 0 CA--C 1.468 -2.187 0 O-C-N 119.976 -1.703 . . . . 31.760000000000002 111.756 169.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -57.08 -43.66 82.37 Favored 'General case' 0 N--CA 1.432 -1.366 0 N-CA-C 116.779 2.14 . . . . 38.909999999999997 116.779 174.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mt -66.01 -48.45 81.66 Favored 'Isoleucine or valine' 0 CA--C 1.467 -2.224 0 N-CA-C 112.8 0.667 . . . . 25.800000000000001 112.8 177.377 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 84.1 mt-10 -50.27 -45.37 54.29 Favored 'General case' 0 C--O 1.193 -1.893 0 N-CA-C 114.694 1.368 . . . . 39.609999999999999 114.694 171.87 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -66.24 -38.07 87.0 Favored 'General case' 0 C--O 1.181 -2.534 0 C-N-CA 123.214 0.606 . . . . 27.690000000000001 112.527 178.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -63.1 -42.08 99.51 Favored 'General case' 0 C--O 1.19 -2.071 0 O-C-N 121.209 -0.932 . . . . 41.350000000000001 110.416 172.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.73 -34.1 77.42 Favored 'General case' 0 N--CA 1.418 -2.026 0 CA-C-O 122.276 1.036 . . . . 31.399999999999999 110.696 178.459 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.1 -36.06 55.93 Favored 'General case' 0 C--O 1.172 -3.015 0 O-C-N 120.414 -1.429 . . . . 39.270000000000003 109.103 -175.855 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 26.6 ttm180 -63.22 -32.93 74.45 Favored 'General case' 0 CA--C 1.576 1.979 0 CA-C-O 122.951 1.358 . . . . 55.640000000000001 109.332 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' GLY . . . . . . . . . . . . . . . -75.63 -42.25 27.1 Favored Glycine 0 C--O 1.2 -2.015 0 CA-C-O 118.342 -1.255 . . . . 56.460000000000001 112.143 -175.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.12 -38.84 91.95 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 118.039 0.92 . . . . 73.109999999999999 110.63 178.418 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.48 -57.86 10.5 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 120.151 -0.62 . . . . 74.180000000000007 109.905 178.058 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.51 -28.66 69.99 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 115.42 1.637 . . . . 80.579999999999998 115.42 -176.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 3.0 mt -51.39 -67.2 0.27 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 116.194 1.924 . . . . 81.900000000000006 116.194 171.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 C--N 1.239 -4.821 0 O-C-N 117.988 -2.945 . . . . 81.420000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2001 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2002 ' ' HOH . . . . . 0.429 ' O ' ' HG3' ' A' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B 2003 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2004 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2005 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2006 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B 2007 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_