data_4e83_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 4e83 _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 112.062 0.393 . . . . 99.790000000000006 112.062 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.23 120.93 44.02 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 116.363 -0.381 . . . . 83.219999999999999 110.186 -172.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.1 m -126.06 142.56 51.47 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 125.314 1.634 . . . . 55.060000000000002 108.885 -174.314 -66.106 -88.467 107.855 109.256 2.026 102.241 -90.047 -55.381 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -130.32 144.35 51.33 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-O 118.756 -0.64 . . . . 63.810000000000002 109.562 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.7 m -86.64 118.22 25.91 Favored 'General case' 0 C--O 1.201 -1.455 0 N-CA-C 109.174 -0.676 . . . . 50.270000000000003 109.174 170.145 -61.045 -76.104 -83.418 106.319 2.004 101.627 -168.915 -48.011 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -120.82 145.76 47.25 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 112.782 0.66 . . . . 50.759999999999998 112.782 -171.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -84.52 -25.45 28.78 Favored 'General case' 0 C--O 1.204 -1.315 0 C-N-CA 118.84 -1.144 . . . . 56.049999999999997 110.888 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.64 -172.45 31.94 Favored Glycine 0 CA--C 1.488 -1.636 0 C-N-CA 120.053 -1.07 . . . . 44.630000000000003 110.788 176.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -65.37 148.01 52.44 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.71 -1.219 . . . . 61.170000000000002 107.71 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -57.69 150.51 19.4 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 119.855 -0.738 . . . . 45.380000000000003 111.383 176.057 -55.814 -55.785 -72.863 103.238 2.022 103.497 -69.738 -62.086 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 155.44 8.18 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 104.963 -2.236 . . . . 53.299999999999997 104.963 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -63.22 -27.83 69.62 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 118.337 -1.345 . . . . 71.230000000000004 111.746 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -77.01 -1.79 30.64 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 123.381 0.673 . . . . 112.26000000000001 112.567 174.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -111.54 160.42 17.19 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 118.976 -0.535 . . . . 55.140000000000001 110.373 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -116.22 140.01 49.76 Favored 'General case' 0 C--O 1.249 1.058 0 N-CA-C 113.195 0.813 . . . . 67.620000000000005 113.195 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.77 116.11 5.97 Favored 'General case' 0 C--O 1.204 -1.294 0 N-CA-C 106.013 -1.847 . . . . 52.609999999999999 106.013 177.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -117.11 7.39 13.03 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.33 1.604 . . . . 48.789999999999999 115.33 -176.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.45 -163.52 28.74 Favored Glycine 0 N--CA 1.506 3.32 0 N-CA-C 110.66 -0.976 . . . . 47.310000000000002 110.66 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 m -124.39 152.81 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 C-N-CA 118.273 -1.371 . . . . 53.409999999999997 109.522 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.6 m -100.7 148.44 24.88 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.587 -1.634 . . . . 44.909999999999997 106.587 165.338 -48.011 -168.915 -83.418 101.627 2.004 106.319 -76.104 -61.045 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -132.76 127.35 34.46 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 117.988 -1.485 . . . . 58.219999999999999 110.227 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.5 tp -131.8 111.18 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 121.98 0.895 . . . . 60.159999999999997 111.052 174.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t 64.22 37.38 8.78 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 106.243 -1.762 . . . . 58.57 106.243 167.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.54 -7.96 79.32 Favored Glycine 0 C--O 1.224 -0.479 0 N-CA-C 116.922 1.529 . . . . 55.130000000000003 116.922 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -103.17 135.56 44.59 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 124.961 1.304 . . . . 113.0 109.877 -174.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.77 150.65 28.03 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 121.876 -0.515 . . . . 57.43 111.33 -171.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -141.57 154.06 45.21 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 104.097 -2.557 . . . . 69.219999999999999 104.097 -178.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -79.17 142.82 36.0 Favored 'General case' 0 CA--C 1.495 -1.164 0 N-CA-C 108.151 -1.055 . . . . 52.490000000000002 108.151 170.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.2 m -127.07 116.5 20.79 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.412 -2.07 . . . . 42.369999999999997 105.412 -169.86 -62.086 -69.738 -72.863 103.497 2.022 103.238 -55.785 -55.814 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.7 m -115.23 137.7 51.74 Favored 'General case' 0 CA--C 1.512 -0.482 0 O-C-N 123.643 0.59 . . . . 52.329999999999998 109.987 -175.364 -55.381 -90.047 107.855 102.241 2.026 109.256 -88.467 -66.106 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 103.071 -2.937 . . . . 109.89 103.071 -176.633 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 120.516 0.198 . . . . 68.439999999999998 111.042 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.93 124.27 49.21 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 107.204 -1.406 . . . . 78.370000000000005 107.204 178.657 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 m -123.91 124.1 41.88 Favored 'General case' 0 C--O 1.201 -1.489 0 CA-C-O 121.445 0.64 . . . . 45.969999999999999 111.137 -178.057 -51.384 -110.127 100.759 106.505 2.048 106.482 -73.895 -61.304 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -86.96 130.01 34.64 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 113.792 1.034 . . . . 50.590000000000003 113.792 169.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' CYS . . . . . . . . . . . . . 74.8 m -84.89 112.2 20.34 Favored 'General case' 0 C--O 1.27 2.182 0 N-CA-C 105.424 -2.065 . . . . 40.780000000000001 105.424 176.124 -61.399 -82.394 -86.531 101.654 2.011 103.136 -164.327 -39.62 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -107.56 148.27 29.48 Favored 'General case' 0 C--O 1.281 2.715 0 O-C-N 124.806 1.316 . . . . 49.990000000000002 111.864 -176.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -82.28 -27.35 32.41 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 112.906 -1.952 . . . . 54.280000000000001 110.29 170.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . 0.405 ' C ' ' NH1' ' B' ' 28' ' ' ARG . . . -107.68 -161.97 21.27 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 118.432 0.56 . . . . 47.93 112.96 174.517 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ARG . . . . . 0.535 ' NH1' ' CG ' ' B' ' 9' ' ' ARG . 0.0 OUTLIER -65.61 152.82 43.23 Favored 'General case' 0 CA--C 1.497 -1.069 0 C-N-CA 124.256 1.023 . . . . 90.629999999999995 111.311 174.502 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 85.4 m -59.17 151.05 23.69 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 113.885 1.069 . . . . 44.200000000000003 113.885 179.258 -59.654 -48.465 -75.415 105.803 2.028 103.242 -73.196 -71.082 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.36 173.56 11.29 Favored 'General case' 0 C--O 1.274 2.361 0 C-N-CA 119.089 -1.044 . . . . 49.340000000000003 111.642 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.5 p -65.97 -22.96 66.5 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.952 -0.567 . . . . 57.939999999999998 110.26 -164.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -94.62 6.83 47.71 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 118.466 -0.778 . . . . 94.109999999999999 112.261 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -124.35 153.43 41.83 Favored 'General case' 0 CA--C 1.487 -1.478 0 O-C-N 125.124 1.515 . . . . 42.68 112.93 -167.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -125.62 130.97 52.69 Favored 'General case' 0 CA--C 1.561 1.39 0 O-C-N 124.397 1.061 . . . . 44.369999999999997 111.061 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 68.5 tp -66.02 118.28 9.57 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.427 -0.796 . . . . 58.189999999999998 112.087 176.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 16.8 m -125.22 1.85 7.84 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.468 -0.787 . . . . 59.729999999999997 112.601 -167.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.91 -158.09 28.07 Favored Glycine 0 N--CA 1.478 1.46 0 N-CA-C 110.194 -1.162 . . . . 51.43 110.194 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.9 m -123.58 143.59 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 122.131 0.967 . . . . 52.060000000000002 111.704 170.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.17 127.54 35.74 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 108.375 -0.972 . . . . 44.700000000000003 108.375 164.144 -39.62 -164.327 -86.531 103.136 2.011 101.654 -82.394 -61.399 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -112.62 112.23 23.6 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 120.969 -1.082 . . . . 75.75 108.255 166.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 29.5 mt -130.15 118.1 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.141 0 CA-C-N 113.674 -1.603 . . . . 51.079999999999998 110.198 -170.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 74.7 m 49.06 46.66 22.48 Favored 'General case' 0 C--O 1.262 1.755 0 CA-C-O 124.384 2.04 . . . . 53.75 109.521 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.82 19.45 75.12 Favored Glycine 0 C--O 1.203 -1.805 0 CA-C-N 111.979 -2.373 . . . . 58.390000000000001 115.858 173.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -125.27 149.62 47.86 Favored 'General case' 0 CA--C 1.478 -1.806 0 N-CA-C 106.325 -1.732 . . . . 72.640000000000001 106.325 177.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.75 138.94 41.09 Favored 'General case' 0 C--O 1.3 3.757 0 O-C-N 124.185 0.928 . . . . 60.759999999999998 111.38 -175.327 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' TYR . . . . . . . . . . . . . 43.4 m-85 -135.47 153.94 51.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 125.482 1.739 . . . . 52.079999999999998 111.572 178.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ARG . . . . . 0.405 ' NH1' ' C ' ' B' ' 8' ' ' GLY . 17.4 mtt85 -69.71 129.28 39.16 Favored 'General case' 0 C--O 1.25 1.089 0 O-C-N 124.188 0.93 . . . . 62.630000000000003 110.961 167.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.8 105.33 14.14 Favored 'General case' 0 N--CA 1.409 -2.49 0 N-CA-C 107.388 -1.338 . . . . 41.310000000000002 107.388 -167.654 -71.082 -73.196 -75.415 103.242 2.028 105.803 -48.465 -59.654 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 75.3 m -97.54 138.7 34.56 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 116.682 2.104 . . . . 43.590000000000003 116.682 -172.557 -61.304 -73.895 100.759 106.482 2.048 106.505 -110.127 -51.384 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 . . . . . 0 C--O 1.246 0.905 0 C-N-CA 124.165 0.986 . . . . 74.810000000000002 109.528 176.995 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 112.062 0.393 . . . . 99.790000000000006 112.062 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.23 120.93 44.02 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 116.363 -0.381 . . . . 83.219999999999999 110.186 -172.412 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.1 m -126.06 142.56 51.47 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 125.314 1.634 . . . . 55.060000000000002 108.885 -174.314 -66.106 -88.467 107.855 109.256 2.026 102.241 -90.047 -55.381 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -130.32 144.35 51.33 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-O 118.756 -0.64 . . . . 63.810000000000002 109.562 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.7 m -86.64 118.22 25.91 Favored 'General case' 0 C--O 1.201 -1.455 0 N-CA-C 109.174 -0.676 . . . . 50.270000000000003 109.174 170.145 -61.045 -76.104 -83.418 106.319 2.004 101.627 -168.915 -48.011 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -120.82 145.76 47.25 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 112.782 0.66 . . . . 50.759999999999998 112.782 -171.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -84.52 -25.45 28.78 Favored 'General case' 0 C--O 1.204 -1.315 0 C-N-CA 118.84 -1.144 . . . . 56.049999999999997 110.888 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.64 -172.45 31.94 Favored Glycine 0 CA--C 1.488 -1.636 0 C-N-CA 120.053 -1.07 . . . . 44.630000000000003 110.788 176.775 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -65.37 148.01 52.44 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.71 -1.219 . . . . 61.170000000000002 107.71 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -57.69 150.51 19.4 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 119.855 -0.738 . . . . 45.380000000000003 111.383 176.057 -55.814 -55.785 -72.863 103.238 2.022 103.497 -69.738 -62.086 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 155.44 8.18 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 104.963 -2.236 . . . . 53.299999999999997 104.963 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -63.22 -27.83 69.62 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 118.337 -1.345 . . . . 71.230000000000004 111.746 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -77.01 -1.79 30.64 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 123.381 0.673 . . . . 112.26000000000001 112.567 174.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -111.54 160.42 17.19 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 118.976 -0.535 . . . . 55.140000000000001 110.373 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -116.22 140.01 49.76 Favored 'General case' 0 C--O 1.249 1.058 0 N-CA-C 113.195 0.813 . . . . 67.620000000000005 113.195 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.77 116.11 5.97 Favored 'General case' 0 C--O 1.204 -1.294 0 N-CA-C 106.013 -1.847 . . . . 52.609999999999999 106.013 177.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -117.11 7.39 13.03 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.33 1.604 . . . . 48.789999999999999 115.33 -176.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.45 -163.52 28.74 Favored Glycine 0 N--CA 1.506 3.32 0 N-CA-C 110.66 -0.976 . . . . 47.310000000000002 110.66 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 m -124.39 152.81 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 C-N-CA 118.273 -1.371 . . . . 53.409999999999997 109.522 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.6 m -100.7 148.44 24.88 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.587 -1.634 . . . . 44.909999999999997 106.587 165.338 -48.011 -168.915 -83.418 101.627 2.004 106.319 -76.104 -61.045 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -132.76 127.35 34.46 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 117.988 -1.485 . . . . 58.219999999999999 110.227 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.5 tp -131.8 111.18 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 121.98 0.895 . . . . 60.159999999999997 111.052 174.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t 64.22 37.38 8.78 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 106.243 -1.762 . . . . 58.57 106.243 167.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.54 -7.96 79.32 Favored Glycine 0 C--O 1.224 -0.479 0 N-CA-C 116.922 1.529 . . . . 55.130000000000003 116.922 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -103.17 135.56 44.59 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 124.961 1.304 . . . . 113.0 109.877 -174.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.77 150.65 28.03 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 121.876 -0.515 . . . . 57.43 111.33 -171.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -141.57 154.06 45.21 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 104.097 -2.557 . . . . 69.219999999999999 104.097 -178.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -79.17 142.82 36.0 Favored 'General case' 0 CA--C 1.495 -1.164 0 N-CA-C 108.151 -1.055 . . . . 52.490000000000002 108.151 170.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.2 m -127.07 116.5 20.79 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.412 -2.07 . . . . 42.369999999999997 105.412 -169.86 -62.086 -69.738 -72.863 103.497 2.022 103.238 -55.785 -55.814 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.7 m -115.23 137.7 51.74 Favored 'General case' 0 CA--C 1.512 -0.482 0 O-C-N 123.643 0.59 . . . . 52.329999999999998 109.987 -175.364 -55.381 -90.047 107.855 102.241 2.026 109.256 -88.467 -66.106 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 103.071 -2.937 . . . . 109.89 103.071 -176.633 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 120.516 0.198 . . . . 68.439999999999998 111.042 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.93 124.27 49.21 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 107.204 -1.406 . . . . 78.370000000000005 107.204 178.657 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 m -123.91 124.1 41.88 Favored 'General case' 0 C--O 1.201 -1.489 0 CA-C-O 121.445 0.64 . . . . 45.969999999999999 111.137 -178.057 -51.384 -110.127 100.759 106.505 2.048 106.482 -73.895 -61.304 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -86.96 130.01 34.64 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 113.792 1.034 . . . . 50.590000000000003 113.792 169.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' CYS . . . . . . . . . . . . . 74.8 m -84.89 112.2 20.34 Favored 'General case' 0 C--O 1.27 2.182 0 N-CA-C 105.424 -2.065 . . . . 40.780000000000001 105.424 176.124 -61.399 -82.394 -86.531 101.654 2.011 103.136 -164.327 -39.62 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -107.56 148.27 29.48 Favored 'General case' 0 C--O 1.281 2.715 0 O-C-N 124.806 1.316 . . . . 49.990000000000002 111.864 -176.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -82.28 -27.35 32.41 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 112.906 -1.952 . . . . 54.280000000000001 110.29 170.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . 0.525 ' O ' ' HD2' ' B' ' 28' ' ' ARG . . . -107.68 -161.97 21.27 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 118.432 0.56 . . . . 47.93 112.96 174.517 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ARG . . . . . 1.061 HH11 ' HG3' ' B' ' 9' ' ' ARG . 0.0 OUTLIER -65.61 152.82 43.23 Favored 'General case' 0 CA--C 1.497 -1.069 0 C-N-CA 124.256 1.023 . . . . 90.629999999999995 111.311 174.502 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 85.4 m -59.17 151.05 23.69 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 113.885 1.069 . . . . 44.200000000000003 113.885 179.258 -59.654 -48.465 -75.415 105.803 2.028 103.242 -73.196 -71.082 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.36 173.56 11.29 Favored 'General case' 0 C--O 1.274 2.361 0 C-N-CA 119.089 -1.044 . . . . 49.340000000000003 111.642 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.5 p -65.97 -22.96 66.5 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.952 -0.567 . . . . 57.939999999999998 110.26 -164.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -94.62 6.83 47.71 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 118.466 -0.778 . . . . 94.109999999999999 112.261 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -124.35 153.43 41.83 Favored 'General case' 0 CA--C 1.487 -1.478 0 O-C-N 125.124 1.515 . . . . 42.68 112.93 -167.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -125.62 130.97 52.69 Favored 'General case' 0 CA--C 1.561 1.39 0 O-C-N 124.397 1.061 . . . . 44.369999999999997 111.061 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . 0.405 HD13 ' HG2' ' B' ' 28' ' ' ARG . 68.5 tp -66.02 118.28 9.57 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.427 -0.796 . . . . 58.189999999999998 112.087 176.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 16.8 m -125.22 1.85 7.84 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.468 -0.787 . . . . 59.729999999999997 112.601 -167.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.91 -158.09 28.07 Favored Glycine 0 N--CA 1.478 1.46 0 N-CA-C 110.194 -1.162 . . . . 51.43 110.194 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.9 m -123.58 143.59 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 122.131 0.967 . . . . 52.060000000000002 111.704 170.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.17 127.54 35.74 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 108.375 -0.972 . . . . 44.700000000000003 108.375 164.144 -39.62 -164.327 -86.531 103.136 2.011 101.654 -82.394 -61.399 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . 0.447 ' HB3' HD12 ' B' ' 26' ' ' LEU . 6.8 pt-20 -112.62 112.23 23.6 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 120.969 -1.082 . . . . 75.75 108.255 166.873 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 29.5 mt -130.15 118.1 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.141 0 CA-C-N 113.674 -1.603 . . . . 51.079999999999998 110.198 -170.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 74.7 m 49.06 46.66 22.48 Favored 'General case' 0 C--O 1.262 1.755 0 CA-C-O 124.384 2.04 . . . . 53.75 109.521 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.82 19.45 75.12 Favored Glycine 0 C--O 1.203 -1.805 0 CA-C-N 111.979 -2.373 . . . . 58.390000000000001 115.858 173.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.569 ' HD3' ' OH ' ' B' ' 27' ' ' TYR . 76.7 ttt180 -125.27 149.62 47.86 Favored 'General case' 0 CA--C 1.478 -1.806 0 N-CA-C 106.325 -1.732 . . . . 72.640000000000001 106.325 177.018 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LEU . . . . . 0.447 HD12 ' HB3' ' B' ' 21' ' ' GLU . 0.3 OUTLIER -105.75 138.94 41.09 Favored 'General case' 0 C--O 1.3 3.757 0 O-C-N 124.185 0.928 . . . . 60.759999999999998 111.38 -175.327 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 27' ' ' TYR . . . . . 0.569 ' OH ' ' HD3' ' B' ' 25' ' ' ARG . 43.4 m-85 -135.47 153.94 51.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 125.482 1.739 . . . . 52.079999999999998 111.572 178.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ARG . . . . . 0.525 ' HD2' ' O ' ' B' ' 8' ' ' GLY . 17.4 mtt85 -69.71 129.28 39.16 Favored 'General case' 0 C--O 1.25 1.089 0 O-C-N 124.188 0.93 . . . . 62.630000000000003 110.961 167.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.8 105.33 14.14 Favored 'General case' 0 N--CA 1.409 -2.49 0 N-CA-C 107.388 -1.338 . . . . 41.310000000000002 107.388 -167.654 -71.082 -73.196 -75.415 103.242 2.028 105.803 -48.465 -59.654 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 75.3 m -97.54 138.7 34.56 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 116.682 2.104 . . . . 43.590000000000003 116.682 -172.557 -61.304 -73.895 100.759 106.482 2.048 106.505 -110.127 -51.384 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 . . . . . 0 C--O 1.246 0.905 0 C-N-CA 124.165 0.986 . . . . 74.810000000000002 109.528 176.995 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.8 0 N-CA-C 112.062 0.393 . . . . 99.790000000000006 112.062 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.23 120.93 44.02 Favored 'General case' 0 CA--C 1.501 -0.939 0 CA-C-N 116.363 -0.381 . . . . 83.219999999999999 110.186 -172.412 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 95.1 m -126.06 142.56 51.47 Favored 'General case' 0 CA--C 1.502 -0.876 0 O-C-N 125.314 1.634 . . . . 55.060000000000002 108.885 -174.314 -66.106 -88.467 107.855 109.256 2.026 102.241 -90.047 -55.381 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 83.5 m-85 -130.32 144.35 51.33 Favored 'General case' 0 CA--C 1.493 -1.231 0 CA-C-O 118.756 -0.64 . . . . 63.810000000000002 109.562 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 76.7 m -86.64 118.22 25.91 Favored 'General case' 0 C--O 1.201 -1.455 0 N-CA-C 109.174 -0.676 . . . . 50.270000000000003 109.174 170.145 -61.045 -76.104 -83.418 106.319 2.004 101.627 -168.915 -48.011 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.0 mtt-85 -120.82 145.76 47.25 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 112.782 0.66 . . . . 50.759999999999998 112.782 -171.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -84.52 -25.45 28.78 Favored 'General case' 0 C--O 1.204 -1.315 0 C-N-CA 118.84 -1.144 . . . . 56.049999999999997 110.888 174.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -98.64 -172.45 31.94 Favored Glycine 0 CA--C 1.488 -1.636 0 C-N-CA 120.053 -1.07 . . . . 44.630000000000003 110.788 176.775 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -65.37 148.01 52.44 Favored 'General case' 0 C--O 1.246 0.882 0 N-CA-C 107.71 -1.219 . . . . 61.170000000000002 107.71 179.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 60.5 m -57.69 150.51 19.4 Favored 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 119.855 -0.738 . . . . 45.380000000000003 111.383 176.057 -55.814 -55.785 -72.863 103.238 2.022 103.497 -69.738 -62.086 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.01 155.44 8.18 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 104.963 -2.236 . . . . 53.299999999999997 104.963 176.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.6 p -63.22 -27.83 69.62 Favored 'General case' 0 CA--C 1.559 1.294 0 C-N-CA 118.337 -1.345 . . . . 71.230000000000004 111.746 -178.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -77.01 -1.79 30.64 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 123.381 0.673 . . . . 112.26000000000001 112.567 174.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -111.54 160.42 17.19 Favored 'General case' 0 C--O 1.216 -0.7 0 CA-C-O 118.976 -0.535 . . . . 55.140000000000001 110.373 -179.3 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 73.2 m -116.22 140.01 49.76 Favored 'General case' 0 C--O 1.249 1.058 0 N-CA-C 113.195 0.813 . . . . 67.620000000000005 113.195 174.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 45.9 tp -64.77 116.11 5.97 Favored 'General case' 0 C--O 1.204 -1.294 0 N-CA-C 106.013 -1.847 . . . . 52.609999999999999 106.013 177.07 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 m -117.11 7.39 13.03 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 115.33 1.604 . . . . 48.789999999999999 115.33 -176.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.45 -163.52 28.74 Favored Glycine 0 N--CA 1.506 3.32 0 N-CA-C 110.66 -0.976 . . . . 47.310000000000002 110.66 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 m -124.39 152.81 30.52 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 C-N-CA 118.273 -1.371 . . . . 53.409999999999997 109.522 176.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 20.6 m -100.7 148.44 24.88 Favored 'General case' 0 CA--C 1.513 -0.478 0 N-CA-C 106.587 -1.634 . . . . 44.909999999999997 106.587 165.338 -48.011 -168.915 -83.418 101.627 2.004 106.319 -76.104 -61.045 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -132.76 127.35 34.46 Favored 'General case' 0 N--CA 1.44 -0.939 0 C-N-CA 117.988 -1.485 . . . . 58.219999999999999 110.227 174.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.5 tp -131.8 111.18 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.013 0 CA-C-O 121.98 0.895 . . . . 60.159999999999997 111.052 174.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.8 t 64.22 37.38 8.78 Favored 'General case' 0 C--O 1.22 -0.491 0 N-CA-C 106.243 -1.762 . . . . 58.57 106.243 167.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.54 -7.96 79.32 Favored Glycine 0 C--O 1.224 -0.479 0 N-CA-C 116.922 1.529 . . . . 55.130000000000003 116.922 177.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 13.1 ttt180 -103.17 135.56 44.59 Favored 'General case' 0 C--O 1.243 0.747 0 C-N-CA 124.961 1.304 . . . . 113.0 109.877 -174.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.77 150.65 28.03 Favored 'General case' 0 C--O 1.259 1.567 0 O-C-N 121.876 -0.515 . . . . 57.43 111.33 -171.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -141.57 154.06 45.21 Favored 'General case' 0 CA--C 1.492 -1.27 0 N-CA-C 104.097 -2.557 . . . . 69.219999999999999 104.097 -178.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 84.9 mtt85 -79.17 142.82 36.0 Favored 'General case' 0 CA--C 1.495 -1.164 0 N-CA-C 108.151 -1.055 . . . . 52.490000000000002 108.151 170.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.2 m -127.07 116.5 20.79 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 105.412 -2.07 . . . . 42.369999999999997 105.412 -169.86 -62.086 -69.738 -72.863 103.497 2.022 103.238 -55.785 -55.814 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 59.7 m -115.23 137.7 51.74 Favored 'General case' 0 CA--C 1.512 -0.482 0 O-C-N 123.643 0.59 . . . . 52.329999999999998 109.987 -175.364 -55.381 -90.047 107.855 102.241 2.026 109.256 -88.467 -66.106 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 6.2 ttm180 . . . . . 0 CA--C 1.508 -0.657 0 N-CA-C 103.071 -2.937 . . . . 109.89 103.071 -176.633 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 120.516 0.198 . . . . 68.439999999999998 111.042 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.93 124.27 49.21 Favored 'General case' 0 N--CA 1.435 -1.2 0 N-CA-C 107.204 -1.406 . . . . 78.370000000000005 107.204 178.657 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' CYS . . . . . . . . . . . . . 35.2 m -123.91 124.1 41.88 Favored 'General case' 0 C--O 1.201 -1.489 0 CA-C-O 121.445 0.64 . . . . 45.969999999999999 111.137 -178.057 -51.384 -110.127 100.759 106.505 2.048 106.482 -73.895 -61.304 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -86.96 130.01 34.64 Favored 'General case' 0 C--O 1.26 1.655 0 N-CA-C 113.792 1.034 . . . . 50.590000000000003 113.792 169.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' CYS . . . . . . . . . . . . . 74.8 m -84.89 112.2 20.34 Favored 'General case' 0 C--O 1.27 2.182 0 N-CA-C 105.424 -2.065 . . . . 40.780000000000001 105.424 176.124 -61.399 -82.394 -86.531 101.654 2.011 103.136 -164.327 -39.62 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 24.1 mtt-85 -107.56 148.27 29.48 Favored 'General case' 0 C--O 1.281 2.715 0 O-C-N 124.806 1.316 . . . . 49.990000000000002 111.864 -176.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 81.5 p -82.28 -27.35 32.41 Favored 'General case' 0 CA--C 1.551 1.001 0 CA-C-N 112.906 -1.952 . . . . 54.280000000000001 110.29 170.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . 0.525 ' O ' ' HD2' ' B' ' 28' ' ' ARG . . . -107.68 -161.97 21.27 Favored Glycine 0 C--N 1.341 0.829 0 CA-C-N 118.432 0.56 . . . . 47.93 112.96 174.517 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ARG . . . . . 1.061 HH11 ' HG3' ' B' ' 9' ' ' ARG . 0.0 OUTLIER -65.61 152.82 43.23 Favored 'General case' 0 CA--C 1.497 -1.069 0 C-N-CA 124.256 1.023 . . . . 90.629999999999995 111.311 174.502 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' CYS . . . . . . . . . . . . . 85.4 m -59.17 151.05 23.69 Favored 'General case' 0 C--N 1.308 -1.206 0 N-CA-C 113.885 1.069 . . . . 44.200000000000003 113.885 179.258 -59.654 -48.465 -75.415 105.803 2.028 103.242 -73.196 -71.082 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.36 173.56 11.29 Favored 'General case' 0 C--O 1.274 2.361 0 C-N-CA 119.089 -1.044 . . . . 49.340000000000003 111.642 177.055 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 23.5 p -65.97 -22.96 66.5 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.952 -0.567 . . . . 57.939999999999998 110.26 -164.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -94.62 6.83 47.71 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 118.466 -0.778 . . . . 94.109999999999999 112.261 -177.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -124.35 153.43 41.83 Favored 'General case' 0 CA--C 1.487 -1.478 0 O-C-N 125.124 1.515 . . . . 42.68 112.93 -167.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 6.9 t -125.62 130.97 52.69 Favored 'General case' 0 CA--C 1.561 1.39 0 O-C-N 124.397 1.061 . . . . 44.369999999999997 111.061 178.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.405 HD13 ' HG2' ' B' ' 28' ' ' ARG . 68.5 tp -66.02 118.28 9.57 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 121.427 -0.796 . . . . 58.189999999999998 112.087 176.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 16.8 m -125.22 1.85 7.84 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.468 -0.787 . . . . 59.729999999999997 112.601 -167.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' GLY . . . . . . . . . . . . . . . 154.91 -158.09 28.07 Favored Glycine 0 N--CA 1.478 1.46 0 N-CA-C 110.194 -1.162 . . . . 51.43 110.194 179.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' VAL . . . . . . . . . . . . . 30.9 m -123.58 143.59 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 CA-C-O 122.131 0.967 . . . . 52.060000000000002 111.704 170.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' CYS . . . . . . . . . . . . . 3.9 m -89.17 127.54 35.74 Favored 'General case' 0 C--O 1.223 -0.306 0 N-CA-C 108.375 -0.972 . . . . 44.700000000000003 108.375 164.144 -39.62 -164.327 -86.531 103.136 2.011 101.654 -82.394 -61.399 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.447 ' HB3' HD12 ' B' ' 26' ' ' LEU . 6.8 pt-20 -112.62 112.23 23.6 Favored 'General case' 0 C--N 1.315 -0.921 0 O-C-N 120.969 -1.082 . . . . 75.75 108.255 166.873 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 29.5 mt -130.15 118.1 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.416 -2.141 0 CA-C-N 113.674 -1.603 . . . . 51.079999999999998 110.198 -170.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 74.7 m 49.06 46.66 22.48 Favored 'General case' 0 C--O 1.262 1.755 0 CA-C-O 124.384 2.04 . . . . 53.75 109.521 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 69.82 19.45 75.12 Favored Glycine 0 C--O 1.203 -1.805 0 CA-C-N 111.979 -2.373 . . . . 58.390000000000001 115.858 173.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.569 ' HD3' ' OH ' ' B' ' 27' ' ' TYR . 76.7 ttt180 -125.27 149.62 47.86 Favored 'General case' 0 CA--C 1.478 -1.806 0 N-CA-C 106.325 -1.732 . . . . 72.640000000000001 106.325 177.018 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.447 HD12 ' HB3' ' B' ' 21' ' ' GLU . 0.3 OUTLIER -105.75 138.94 41.09 Favored 'General case' 0 C--O 1.3 3.757 0 O-C-N 124.185 0.928 . . . . 60.759999999999998 111.38 -175.327 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' TYR . . . . . 0.569 ' OH ' ' HD3' ' B' ' 25' ' ' ARG . 43.4 m-85 -135.47 153.94 51.59 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 125.482 1.739 . . . . 52.079999999999998 111.572 178.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.525 ' HD2' ' O ' ' B' ' 8' ' ' GLY . 17.4 mtt85 -69.71 129.28 39.16 Favored 'General case' 0 C--O 1.25 1.089 0 O-C-N 124.188 0.93 . . . . 62.630000000000003 110.961 167.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' NLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' CYS . . . . . . . . . . . . . 77.0 m -110.8 105.33 14.14 Favored 'General case' 0 N--CA 1.409 -2.49 0 N-CA-C 107.388 -1.338 . . . . 41.310000000000002 107.388 -167.654 -71.082 -73.196 -75.415 103.242 2.028 105.803 -48.465 -59.654 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' CYS . . . . . . . . . . . . . 75.3 m -97.54 138.7 34.56 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 116.682 2.104 . . . . 43.590000000000003 116.682 -172.557 -61.304 -73.895 100.759 106.482 2.048 106.505 -110.127 -51.384 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ARG . . . . . . . . . . . . . 8.1 mmm180 . . . . . 0 C--O 1.246 0.905 0 C-N-CA 124.165 0.986 . . . . 74.810000000000002 109.528 176.995 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' ' CL' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_