data_1gcm_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 1gcm _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.351 . . . . . . . . 67.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . 0.465 ' CA ' ' NH1' ' A' ' 1' ' ' ARG . 2.6 tpp180 -26.66 -58.08 0.08 Allowed 'General case' 0 N--CA 1.439 -1.007 1 C-N-CA 147.117 10.167 . . . . 100.0 116.955 . . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . 0.41 ' CE ' ' CE ' ' B' ' 2' ' ' MET . 1.8 ttm -54.01 -29.45 43.46 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 123.295 1.522 . . . . 100.0 114.309 -173.105 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . 0.659 ' NZ ' ' OD2' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -69.77 -49.63 51.04 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 111.95 -2.386 . . . . 100.0 110.612 -178.296 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' NE2' ' NH1' ' A' ' 1' ' ' ARG . 12.9 mt-30 -62.09 -43.09 99.6 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 107.711 -1.218 . . . . 100.0 107.711 177.797 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 7.6 mt -50.32 -45.9 25.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-O 121.442 0.639 . . . . 70.14 112.277 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -68.17 -36.29 79.39 Favored 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 119.627 -0.829 . . . . 100.0 110.342 -179.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . 0.659 ' OD2' ' NZ ' ' A' ' 3' ' ' LYS . 69.8 m-20 -64.65 -44.07 91.61 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 117.72 -1.592 . . . . 60.88 110.441 -176.426 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -62.79 -32.81 74.05 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 127.974 2.51 . . . . 99.05 109.342 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mt -66.73 -41.93 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.071 0 O-C-N 120.413 -1.429 . . . . 47.46 112.971 173.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.19 -37.61 85.95 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.347 -0.982 . . . . 100.0 108.347 -179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.2 -39.98 94.55 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-O 122.802 1.287 . . . . 97.66 110.354 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.1 mt -70.7 -35.92 62.86 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 CA-C-O 125.008 2.337 . . . . 48.17 112.022 -175.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 14.7 mt -66.23 -39.38 89.52 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 110.782 -2.917 . . . . 65.01 107.758 -175.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 m -69.41 -34.18 74.11 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.007 -0.997 . . . . 100.0 112.958 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -49.32 76.17 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 126.93 3.252 . . . . 100.0 110.947 179.218 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.7 mt -55.04 -50.47 62.91 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 O-C-N 119.255 -2.153 . . . . 69.57 113.538 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -63.63 -31.91 73.23 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.032 -1.043 . . . . 55.3 109.672 -173.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -64.05 -54.16 38.55 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-O 124.227 1.965 . . . . 84.66 110.601 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.33 -36.6 26.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 O-C-N 118.852 -2.405 . . . . 85.65 112.983 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -71.34 -20.05 62.22 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 118.351 -1.34 . . . . 100.0 110.237 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.304 10.2 m-80 -82.32 -36.97 26.42 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-O 117.513 -1.232 . . . . 100.0 109.637 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.67 -47.96 83.56 Favored 'General case' 0 C--N 1.362 1.134 0 O-C-N 126.182 2.176 . . . . 65.86 109.925 176.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.3 mt -59.64 -50.04 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 CA-C-N 113.057 -1.883 . . . . 61.04 110.694 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.16 72.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 123.141 1.448 . . . . 66.51 111.643 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . 0.263 5.4 ttm180 -65.79 -54.79 22.33 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-O 124.662 2.173 . . . . 100.0 110.694 -179.372 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mt -57.26 -27.01 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.87 0 CA-C-N 112.87 -1.968 . . . . 67.22 109.488 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -75.05 -26.86 59.73 Favored 'General case' 0 N--CA 1.414 -2.225 0 C-N-CA 116.213 -2.195 . . . . 65.18 111.977 -178.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -74.94 -34.29 62.05 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 122.378 1.085 . . . . 100.0 108.832 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.01 -13.03 62.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 116.225 1.935 . . . . 93.9 116.225 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ILE . . . . . 0.483 ' CG1' ' N ' ' A' ' 31' ' ' GLY 0.453 1.2 pt -114.22 -123.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 114.026 1.121 . . . . 100.0 114.026 -173.676 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . 0.483 ' N ' ' CG1' ' A' ' 30' ' ' ILE . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.963 -0.855 . . . . 100.0 110.963 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.14 . . . . . . . . 59.98 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . 0.282 1.5 ttt180 -54.32 -41.65 69.23 Favored 'General case' 0 N--CA 1.421 -1.914 1 C-N-CA 135.876 5.67 . . . . 92.37 111.432 . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . 0.41 ' CE ' ' CE ' ' A' ' 2' ' ' MET 0.309 0.0 OUTLIER -76.74 -44.56 32.67 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.97 0.891 . . . . 80.83 112.169 176.658 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 12.7 tptt -58.4 -38.3 77.08 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 117.584 -1.198 . . . . 83.02 111.819 177.478 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -59.68 -54.48 45.9 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 125.252 1.595 . . . . 100.0 107.073 177.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -43.84 -58.62 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-O 122.116 0.96 . . . . 48.76 109.639 179.212 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . 0.267 58.2 mt-10 -52.39 -43.9 65.0 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 114.732 1.382 . . . . 100.0 114.732 175.129 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -62.3 -39.0 91.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 120.63 -1.294 . . . . 45.88 108.451 177.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -45.06 80.09 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.54 -0.754 . . . . 100.0 110.581 178.9 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . . . . . . . . . 19.7 mt -65.45 -42.39 93.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 CA-C-O 121.159 0.504 . . . . 100.0 111.786 -177.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -29.14 70.3 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 119.315 -2.115 . . . . 100.0 110.45 -179.268 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -65.48 -52.07 55.53 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.589 -1.187 . . . . 95.56 111.128 178.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -53.76 -46.45 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 124.216 0.948 . . . . 47.18 112.083 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . 0.286 88.1 mt -54.94 -47.7 74.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.85 1.66 . . . . 47.11 113.469 174.218 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.5 t -64.67 -46.01 84.27 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 119.896 -1.752 . . . . 84.3 111.481 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -64.38 -42.98 95.86 Favored 'General case' 0 N--CA 1.415 -2.222 0 O-C-N 120.814 -1.179 . . . . 69.71 112.117 179.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 11.7 mt -55.75 -40.66 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 124.875 2.274 . . . . 51.56 111.374 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -64.7 -39.6 93.93 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 112.566 -2.106 . . . . 91.31 111.231 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -60.94 -51.1 70.71 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.985 -1.007 . . . . 76.07 109.254 175.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 84.3 mt -57.08 -47.88 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 CA-C-N 114.992 -1.003 . . . . 61.65 112.063 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.83 -29.59 69.59 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 124.103 1.906 . . . . 100.0 111.039 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -71.58 -48.53 47.77 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 117.69 -3.131 . . . . 60.9 113.142 173.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -51.23 -58.53 5.92 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 108.412 -0.958 . . . . 59.61 108.412 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.18 -35.25 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 C-N-CA 124.874 1.27 . . . . 45.76 113.536 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.91 -55.27 23.87 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 123.732 1.73 . . . . 71.92 111.794 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . 0.662 ' NE ' ' OE2' ' C' ' 32' ' ' GLU . 0.1 OUTLIER -60.38 -25.11 65.63 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.076 -1.42 . . . . 100.0 112.685 178.865 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mt -76.21 -29.62 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 123.388 1.566 . . . . 78.27 110.605 -175.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.1 mttt -71.21 -57.0 4.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.955 -1.475 . . . . 99.26 109.508 179.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' O ' ' O ' ' B' ' 31' ' ' GLY . 0.0 OUTLIER -38.34 -61.13 0.71 Allowed 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 125.378 1.471 . . . . 100.0 112.081 170.358 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 28.4 mt -52.72 -42.48 64.91 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.953 1.701 . . . . 88.31 114.651 175.702 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . 0.427 1.6 pt -95.55 6.7 7.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 115.673 1.731 . . . . 68.45 115.673 178.82 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . 0.531 ' O ' ' O ' ' B' ' 28' ' ' LYS . . . -160.52 -167.7 21.4 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-O 118.866 -0.963 . . . . 100.0 111.63 -175.629 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 123.428 1.585 . . . . 100.0 114.285 -178.585 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.101 . . . . . . . . 88.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -18.86 -51.75 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 129.098 2.959 . . . . 100.0 114.698 . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -71.8 -29.5 64.51 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 120.794 -1.191 . . . . 51.81 111.6 -178.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -39.16 57.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 124.267 1.984 . . . . 93.71 111.591 -176.238 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.02 -50.19 71.69 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 104.976 -2.231 . . . . 100.0 104.976 -179.084 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 39.6 mt -49.68 -44.52 19.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 O-C-N 124.305 1.003 . . . . 54.28 112.991 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -67.26 -35.65 79.97 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 121.67 0.748 . . . . 55.55 109.669 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.74 -39.48 87.95 Favored 'General case' 0 C--O 1.197 -1.678 0 C-N-CA 117.139 -1.824 . . . . 88.12 110.573 -175.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.72 -34.63 67.22 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 124.155 0.982 . . . . 91.22 109.983 -175.412 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 6.4 mt -65.64 -36.87 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-O 122.905 1.336 . . . . 52.33 109.923 177.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -69.84 -35.08 74.45 Favored 'General case' 0 N--CA 1.435 -1.189 0 O-C-N 118.206 -2.809 . . . . 100.0 110.529 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.68 -39.76 91.66 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 124.599 2.143 . . . . 100.0 109.795 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.0 -47.08 95.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 113.494 -1.685 . . . . 94.83 113.116 172.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 19.6 mt -66.57 -24.02 66.29 Favored 'General case' 0 C--O 1.193 -1.895 0 O-C-N 120.238 -1.538 . . . . 45.91 110.708 -178.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -74.15 -46.12 44.37 Favored 'General case' 0 N--CA 1.421 -1.895 0 O-C-N 119.994 -1.691 . . . . 56.79 110.225 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.29 2.1 mmtp -61.63 -46.18 90.9 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 106.703 -1.591 . . . . 61.55 106.703 -178.262 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.97 -36.94 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 112.832 -1.985 . . . . 88.25 112.731 -174.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.4 -48.5 80.93 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 125.844 1.657 . . . . 48.29 109.464 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -55.52 -44.56 76.76 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 114.881 -1.054 . . . . 61.68 113.468 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mt -65.99 -36.51 77.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 C-N-CA 126.911 2.084 . . . . 37.02 108.734 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' GLU . . . . . 0.468 ' OE1' ' O ' ' C' ' 37' ' ' HOH . 43.0 mt-10 -69.21 -32.36 71.57 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 122.204 1.002 . . . . 100.0 110.372 -179.02 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -71.37 -43.65 66.49 Favored 'General case' 0 N--CA 1.427 -1.602 0 O-C-N 119.764 -1.835 . . . . 93.27 106.267 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -54.66 -47.6 73.36 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.112 -0.992 . . . . 68.42 110.61 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.29 -41.59 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 CA-C-N 114.183 -1.371 . . . . 86.12 112.759 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.83 84.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 124.28 1.99 . . . . 100.0 114.797 -176.239 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . 0.274 73.7 ttt180 -78.67 -33.2 47.21 Favored 'General case' 0 N--CA 1.399 -3.003 0 CA-C-N 112.744 -2.026 . . . . 63.5 109.003 178.524 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.51 -47.37 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 O-C-N 118.706 -2.496 . . . . 49.12 109.507 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' C' ' 32' ' ' GLU . 17.0 mttt -50.61 -35.27 29.53 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 124.339 2.019 . . . . 83.96 113.852 177.436 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -58.2 4.23 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 113.957 -1.474 . . . . 100.0 107.316 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mt -42.09 -30.49 0.29 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 125.77 1.919 . . . . 79.83 115.575 178.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 pt -112.8 11.86 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-O 122.334 1.064 . . . . 53.01 110.919 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.16 27.58 72.71 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 118.217 2.047 . . . . 57.63 118.217 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' GLU . . . . . 0.662 ' OE2' ' NE ' ' B' ' 25' ' ' ARG 0.278 60.3 tt0 -79.62 130.49 35.42 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 117.437 -1.705 . . . . 100.0 108.664 175.528 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.415 0 C-N-CA 119.433 -0.907 . . . . 100.0 111.528 -178.013 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' HOH . . . . . 0.468 ' O ' ' OE1' ' C' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.351 . . . . . . . . 67.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . 0.884 ' HA ' HH11 ' A' ' 1' ' ' ARG . 2.6 tpp180 -26.66 -58.08 0.08 Allowed 'General case' 0 N--CA 1.439 -1.007 1 C-N-CA 147.117 10.167 . . . . 100.0 116.955 . . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . 0.743 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 1.8 ttm -54.01 -29.45 43.46 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 123.295 1.522 . . . . 100.0 114.309 -173.105 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . 0.504 ' NZ ' ' OD2' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -69.77 -49.63 51.04 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 111.95 -2.386 . . . . 100.0 110.612 -178.296 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' NE2' HH12 ' A' ' 1' ' ' ARG . 46.1 mt-30 -62.09 -43.09 99.6 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 107.711 -1.218 . . . . 100.0 107.711 177.797 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . 0.481 HG23 HD11 ' B' ' 9' ' ' ILE . 7.6 mt -50.32 -45.9 25.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-O 121.442 0.639 . . . . 70.14 112.277 -178.999 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.743 ' HG3' ' O ' ' A' ' 2' ' ' MET . 16.6 mt-10 -68.17 -36.29 79.39 Favored 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 119.627 -0.829 . . . . 100.0 110.342 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . 0.504 ' OD2' ' NZ ' ' A' ' 3' ' ' LYS . 69.8 m-20 -64.65 -44.07 91.61 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 117.72 -1.592 . . . . 60.88 110.441 -176.426 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -62.79 -32.81 74.05 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 127.974 2.51 . . . . 99.05 109.342 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mt -66.73 -41.93 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.071 0 O-C-N 120.413 -1.429 . . . . 47.46 112.971 173.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.19 -37.61 85.95 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.347 -0.982 . . . . 100.0 108.347 -179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.2 -39.98 94.55 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-O 122.802 1.287 . . . . 97.66 110.354 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.1 mt -70.7 -35.92 62.86 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 CA-C-O 125.008 2.337 . . . . 48.17 112.022 -175.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . 0.534 HD11 ' HE2' ' C' ' 8' ' ' LYS . 14.7 mt -66.23 -39.38 89.52 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 110.782 -2.917 . . . . 65.01 107.758 -175.824 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 m -69.41 -34.18 74.11 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.007 -0.997 . . . . 100.0 112.958 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -49.32 76.17 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 126.93 3.252 . . . . 100.0 110.947 179.218 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.7 mt -55.04 -50.47 62.91 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 O-C-N 119.255 -2.153 . . . . 69.57 113.538 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -63.63 -31.91 73.23 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.032 -1.043 . . . . 55.3 109.672 -173.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -64.05 -54.16 38.55 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-O 124.227 1.965 . . . . 84.66 110.601 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.33 -36.6 26.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 O-C-N 118.852 -2.405 . . . . 85.65 112.983 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -71.34 -20.05 62.22 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 118.351 -1.34 . . . . 100.0 110.237 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.304 10.2 m-80 -82.32 -36.97 26.42 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-O 117.513 -1.232 . . . . 100.0 109.637 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.67 -47.96 83.56 Favored 'General case' 0 C--N 1.362 1.134 0 O-C-N 126.182 2.176 . . . . 65.86 109.925 176.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.3 mt -59.64 -50.04 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 CA-C-N 113.057 -1.883 . . . . 61.04 110.694 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.16 72.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 123.141 1.448 . . . . 66.51 111.643 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . 0.479 HH12 ' NZ ' ' B' ' 27' ' ' LYS 0.263 5.4 ttm180 -65.79 -54.79 22.33 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-O 124.662 2.173 . . . . 100.0 110.694 -179.372 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mt -57.26 -27.01 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.87 0 CA-C-N 112.87 -1.968 . . . . 67.22 109.488 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -75.05 -26.86 59.73 Favored 'General case' 0 N--CA 1.414 -2.225 0 C-N-CA 116.213 -2.195 . . . . 65.18 111.977 -178.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -74.94 -34.29 62.05 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 122.378 1.085 . . . . 100.0 108.832 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.01 -13.03 62.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 116.225 1.935 . . . . 93.9 116.225 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ILE . . . . . 0.982 HG13 ' H ' ' A' ' 31' ' ' GLY 0.453 1.2 pt -114.22 -123.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 114.026 1.121 . . . . 100.0 114.026 -173.676 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . 0.982 ' H ' HG13 ' A' ' 30' ' ' ILE . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.963 -0.855 . . . . 100.0 110.963 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.14 . . . . . . . . 59.98 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . 0.282 1.5 ttt180 -54.32 -41.65 69.23 Favored 'General case' 0 N--CA 1.421 -1.914 1 C-N-CA 135.876 5.67 . . . . 92.37 111.432 . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . 0.65 ' HE3' ' HE1' ' A' ' 2' ' ' MET 0.309 0.0 OUTLIER -76.74 -44.56 32.67 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.97 0.891 . . . . 80.83 112.169 176.658 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' B' ' 3' ' ' LYS . 12.7 tptt -58.4 -38.3 77.08 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 117.584 -1.198 . . . . 83.02 111.819 177.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . 0.783 ' HG2' ' NZ ' ' B' ' 8' ' ' LYS . 2.4 tt0 -59.68 -54.48 45.9 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 125.252 1.595 . . . . 100.0 107.073 177.054 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . 0.516 HG22 ' N ' ' B' ' 6' ' ' GLU . 0.2 OUTLIER -43.84 -58.62 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-O 122.116 0.96 . . . . 48.76 109.639 179.212 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.516 ' N ' HG22 ' B' ' 5' ' ' ILE 0.267 58.2 mt-10 -52.39 -43.9 65.0 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 114.732 1.382 . . . . 100.0 114.732 175.129 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -62.3 -39.0 91.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 120.63 -1.294 . . . . 45.88 108.451 177.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . 0.783 ' NZ ' ' HG2' ' B' ' 4' ' ' GLN . 0.0 OUTLIER -56.22 -45.06 80.09 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.54 -0.754 . . . . 100.0 110.581 178.9 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . 0.481 HD11 HG23 ' A' ' 5' ' ' ILE . 19.7 mt -65.45 -42.39 93.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 CA-C-O 121.159 0.504 . . . . 100.0 111.786 -177.823 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -29.14 70.3 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 119.315 -2.115 . . . . 100.0 110.45 -179.268 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . 0.762 ' CD ' ' HE3' ' B' ' 15' ' ' LYS . 3.9 tt0 -65.48 -52.07 55.53 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.589 -1.187 . . . . 95.56 111.128 178.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -53.76 -46.45 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 124.216 0.948 . . . . 47.18 112.083 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . 0.286 88.1 mt -54.94 -47.7 74.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.85 1.66 . . . . 47.11 113.469 174.218 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.5 t -64.67 -46.01 84.27 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 119.896 -1.752 . . . . 84.3 111.481 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.776 ' HD2' ' O ' ' B' ' 43' ' ' HOH . 34.7 mttt -64.38 -42.98 95.86 Favored 'General case' 0 N--CA 1.415 -2.222 0 O-C-N 120.814 -1.179 . . . . 69.71 112.117 179.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 11.7 mt -55.75 -40.66 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 124.875 2.274 . . . . 51.56 111.374 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -64.7 -39.6 93.93 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 112.566 -2.106 . . . . 91.31 111.231 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . 0.762 ' HA ' ' O ' ' B' ' 35' ' ' HOH . 38.1 t60 -60.94 -51.1 70.71 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.985 -1.007 . . . . 76.07 109.254 175.36 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 84.3 mt -57.08 -47.88 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 CA-C-N 114.992 -1.003 . . . . 61.65 112.063 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.83 -29.59 69.59 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 124.103 1.906 . . . . 100.0 111.039 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -71.58 -48.53 47.77 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 117.69 -3.131 . . . . 60.9 113.142 173.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -51.23 -58.53 5.92 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 108.412 -0.958 . . . . 59.61 108.412 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.18 -35.25 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 C-N-CA 124.874 1.27 . . . . 45.76 113.536 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.91 -55.27 23.87 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 123.732 1.73 . . . . 71.92 111.794 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . 0.653 ' NE ' ' OE2' ' C' ' 32' ' ' GLU . 0.1 OUTLIER -60.38 -25.11 65.63 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.076 -1.42 . . . . 100.0 112.685 178.865 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mt -76.21 -29.62 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 123.388 1.566 . . . . 78.27 110.605 -175.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . 0.479 ' NZ ' HH12 ' A' ' 25' ' ' ARG . 84.1 mttt -71.21 -57.0 4.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.955 -1.475 . . . . 99.26 109.508 179.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' O ' ' O ' ' B' ' 31' ' ' GLY . 0.0 OUTLIER -38.34 -61.13 0.71 Allowed 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 125.378 1.471 . . . . 100.0 112.081 170.358 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 25' ' ' ARG . 28.4 mt -52.72 -42.48 64.91 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.953 1.701 . . . . 88.31 114.651 175.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . 0.427 1.6 pt -95.55 6.7 7.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 115.673 1.731 . . . . 68.45 115.673 178.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . 0.531 ' O ' ' O ' ' B' ' 28' ' ' LYS . . . -160.52 -167.7 21.4 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-O 118.866 -0.963 . . . . 100.0 111.63 -175.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 123.428 1.585 . . . . 100.0 114.285 -178.585 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.101 . . . . . . . . 88.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -18.86 -51.75 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 129.098 2.959 . . . . 100.0 114.698 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 2' ' ' MET . . . . . 0.591 ' CE ' ' HE3' ' B' ' 2' ' ' MET . 0.8 OUTLIER -71.8 -29.5 64.51 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 120.794 -1.191 . . . . 51.81 111.6 -178.396 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -39.16 57.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 124.267 1.984 . . . . 93.71 111.591 -176.238 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mm-40 -63.02 -50.19 71.69 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 104.976 -2.231 . . . . 100.0 104.976 -179.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 39.6 mt -49.68 -44.52 19.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 O-C-N 124.305 1.003 . . . . 54.28 112.991 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -67.26 -35.65 79.97 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 121.67 0.748 . . . . 55.55 109.669 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.74 -39.48 87.95 Favored 'General case' 0 C--O 1.197 -1.678 0 C-N-CA 117.139 -1.824 . . . . 88.12 110.573 -175.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LYS . . . . . 0.534 ' HE2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.72 -34.63 67.22 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 124.155 0.982 . . . . 91.22 109.983 -175.412 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ILE . . . . . 0.458 HD13 HG21 ' C' ' 9' ' ' ILE . 6.4 mt -65.64 -36.87 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-O 122.905 1.336 . . . . 52.33 109.923 177.199 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -69.84 -35.08 74.45 Favored 'General case' 0 N--CA 1.435 -1.189 0 O-C-N 118.206 -2.809 . . . . 100.0 110.529 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.68 -39.76 91.66 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 124.599 2.143 . . . . 100.0 109.795 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.0 -47.08 95.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 113.494 -1.685 . . . . 94.83 113.116 172.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . 0.665 HD21 ' OE1' ' B' ' 11' ' ' GLU . 19.6 mt -66.57 -24.02 66.29 Favored 'General case' 0 C--O 1.193 -1.895 0 O-C-N 120.238 -1.538 . . . . 45.91 110.708 -178.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -74.15 -46.12 44.37 Favored 'General case' 0 N--CA 1.421 -1.895 0 O-C-N 119.994 -1.691 . . . . 56.79 110.225 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.29 2.1 mmtp -61.63 -46.18 90.9 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 106.703 -1.591 . . . . 61.55 106.703 -178.262 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.97 -36.94 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 112.832 -1.985 . . . . 88.25 112.731 -174.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.4 -48.5 80.93 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 125.844 1.657 . . . . 48.29 109.464 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -55.52 -44.56 76.76 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 114.881 -1.054 . . . . 61.68 113.468 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mt -65.99 -36.51 77.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 C-N-CA 126.911 2.084 . . . . 37.02 108.734 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' B' ' 34' ' ' HOH . 43.0 mt-10 -69.21 -32.36 71.57 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 122.204 1.002 . . . . 100.0 110.372 -179.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -71.37 -43.65 66.49 Favored 'General case' 0 N--CA 1.427 -1.602 0 O-C-N 119.764 -1.835 . . . . 93.27 106.267 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -54.66 -47.6 73.36 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.112 -0.992 . . . . 68.42 110.61 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.29 -41.59 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 CA-C-N 114.183 -1.371 . . . . 86.12 112.759 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.83 84.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 124.28 1.99 . . . . 100.0 114.797 -176.239 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . 0.274 73.7 ttt180 -78.67 -33.2 47.21 Favored 'General case' 0 N--CA 1.399 -3.003 0 CA-C-N 112.744 -2.026 . . . . 63.5 109.003 178.524 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.51 -47.37 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 O-C-N 118.706 -2.496 . . . . 49.12 109.507 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -50.61 -35.27 29.53 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 124.339 2.019 . . . . 83.96 113.852 177.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -58.2 4.23 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 113.957 -1.474 . . . . 100.0 107.316 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' C' ' 29' ' ' LEU . 7.1 mt -42.09 -30.49 0.29 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 125.77 1.919 . . . . 79.83 115.575 178.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 pt -112.8 11.86 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-O 122.334 1.064 . . . . 53.01 110.919 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.16 27.58 72.71 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 118.217 2.047 . . . . 57.63 118.217 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 32' ' ' GLU . . . . . 0.653 ' OE2' ' NE ' ' B' ' 25' ' ' ARG 0.278 60.3 tt0 -79.62 130.49 35.42 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 117.437 -1.705 . . . . 100.0 108.664 175.528 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.415 0 C-N-CA 119.433 -0.907 . . . . 100.0 111.528 -178.013 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . 0.68 ' O ' ' HG2' ' C' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . 0.762 ' O ' ' HA ' ' B' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . 0.776 ' O ' ' HD2' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 37' ' ' HOH . . . . . 0.468 ' O ' ' OE1' ' C' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.351 . . . . . . . . 67.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . 0.884 ' HA ' HH11 ' A' ' 1' ' ' ARG . 2.6 tpp180 -26.66 -58.08 0.08 Allowed 'General case' 0 N--CA 1.439 -1.007 1 C-N-CA 147.117 10.167 . . . . 100.0 116.955 . . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . 0.743 ' O ' ' HG3' ' A' ' 6' ' ' GLU . 1.8 ttm -54.01 -29.45 43.46 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 123.295 1.522 . . . . 100.0 114.309 -173.105 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.504 ' NZ ' ' OD2' ' A' ' 7' ' ' ASP . 0.2 OUTLIER -69.77 -49.63 51.04 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 111.95 -2.386 . . . . 100.0 110.612 -178.296 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.406 ' NE2' ' NH1' ' A' ' 1' ' ' ARG . 12.9 mt-30 -62.09 -43.09 99.6 Favored 'General case' 0 N--CA 1.436 -1.128 0 N-CA-C 107.711 -1.218 . . . . 100.0 107.711 177.797 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.481 HG23 HD11 ' B' ' 9' ' ' ILE . 7.6 mt -50.32 -45.9 25.22 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-O 121.442 0.639 . . . . 70.14 112.277 -178.999 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.743 ' HG3' ' O ' ' A' ' 2' ' ' MET . 16.6 mt-10 -68.17 -36.29 79.39 Favored 'General case' 0 N--CA 1.426 -1.642 0 C-N-CA 119.627 -0.829 . . . . 100.0 110.342 -179.597 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.504 ' OD2' ' NZ ' ' A' ' 3' ' ' LYS . 69.8 m-20 -64.65 -44.07 91.61 Favored 'General case' 0 C--N 1.306 -1.319 0 C-N-CA 117.72 -1.592 . . . . 60.88 110.441 -176.426 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.5 tppt? -62.79 -32.81 74.05 Favored 'General case' 0 C--O 1.211 -0.972 0 C-N-CA 127.974 2.51 . . . . 99.05 109.342 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 mt -66.73 -41.93 88.73 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.071 0 O-C-N 120.413 -1.429 . . . . 47.46 112.971 173.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -62.19 -37.61 85.95 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 108.347 -0.982 . . . . 100.0 108.347 -179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -62.2 -39.98 94.55 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-O 122.802 1.287 . . . . 97.66 110.354 178.954 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 23.1 mt -70.7 -35.92 62.86 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.615 0 CA-C-O 125.008 2.337 . . . . 48.17 112.022 -175.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.534 HD11 ' HE2' ' C' ' 8' ' ' LYS . 14.7 mt -66.23 -39.38 89.52 Favored 'General case' 0 C--N 1.272 -2.802 0 CA-C-N 110.782 -2.917 . . . . 65.01 107.758 -175.824 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 m -69.41 -34.18 74.11 Favored 'General case' 0 C--N 1.308 -1.196 0 CA-C-N 115.007 -0.997 . . . . 100.0 112.958 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -49.32 76.17 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-O 126.93 3.252 . . . . 100.0 110.947 179.218 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 54.7 mt -55.04 -50.47 62.91 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.125 0 O-C-N 119.255 -2.153 . . . . 69.57 113.538 172.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.0 t80 -63.63 -31.91 73.23 Favored 'General case' 0 N--CA 1.478 0.964 0 O-C-N 121.032 -1.043 . . . . 55.3 109.672 -173.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.2 t60 -64.05 -54.16 38.55 Favored 'General case' 0 N--CA 1.428 -1.56 0 CA-C-O 124.227 1.965 . . . . 84.66 110.601 174.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 96.4 mt -53.33 -36.6 26.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 O-C-N 118.852 -2.405 . . . . 85.65 112.983 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -71.34 -20.05 62.22 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 118.351 -1.34 . . . . 100.0 110.237 178.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . 0.304 10.2 m-80 -82.32 -36.97 26.42 Favored 'General case' 0 N--CA 1.417 -2.091 0 CA-C-O 117.513 -1.232 . . . . 100.0 109.637 -178.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -59.67 -47.96 83.56 Favored 'General case' 0 C--N 1.362 1.134 0 O-C-N 126.182 2.176 . . . . 65.86 109.925 176.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.3 mt -59.64 -50.04 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.026 0 CA-C-N 113.057 -1.883 . . . . 61.04 110.694 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.34 -37.16 72.13 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 123.141 1.448 . . . . 66.51 111.643 -176.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.479 HH12 ' NZ ' ' B' ' 27' ' ' LYS 0.263 5.4 ttm180 -65.79 -54.79 22.33 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-O 124.662 2.173 . . . . 100.0 110.694 -179.372 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.2 mt -57.26 -27.01 27.06 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.87 0 CA-C-N 112.87 -1.968 . . . . 67.22 109.488 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -75.05 -26.86 59.73 Favored 'General case' 0 N--CA 1.414 -2.225 0 C-N-CA 116.213 -2.195 . . . . 65.18 111.977 -178.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 mptt -74.94 -34.29 62.05 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 122.378 1.085 . . . . 100.0 108.832 -179.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 13.0 mt -70.01 -13.03 62.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 116.225 1.935 . . . . 93.9 116.225 -179.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.982 HG13 ' H ' ' A' ' 31' ' ' GLY 0.453 1.2 pt -114.22 -123.26 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 N-CA-C 114.026 1.121 . . . . 100.0 114.026 -173.676 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.982 ' H ' HG13 ' A' ' 30' ' ' ILE . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.963 -0.855 . . . . 100.0 110.963 -179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.14 . . . . . . . . 59.98 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . 0.282 1.5 ttt180 -54.32 -41.65 69.23 Favored 'General case' 0 N--CA 1.421 -1.914 1 C-N-CA 135.876 5.67 . . . . 92.37 111.432 . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . 0.65 ' HE3' ' HE1' ' A' ' 2' ' ' MET 0.309 0.0 OUTLIER -76.74 -44.56 32.67 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.97 0.891 . . . . 80.83 112.169 176.658 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' B' ' 3' ' ' LYS . 12.7 tptt -58.4 -38.3 77.08 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 117.584 -1.198 . . . . 83.02 111.819 177.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . 0.783 ' HG2' ' NZ ' ' B' ' 8' ' ' LYS . 2.4 tt0 -59.68 -54.48 45.9 Favored 'General case' 0 C--N 1.358 0.939 0 O-C-N 125.252 1.595 . . . . 100.0 107.073 177.054 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . 0.516 HG22 ' N ' ' B' ' 6' ' ' GLU . 0.2 OUTLIER -43.84 -58.62 0.54 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-O 122.116 0.96 . . . . 48.76 109.639 179.212 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.516 ' N ' HG22 ' B' ' 5' ' ' ILE 0.267 58.2 mt-10 -52.39 -43.9 65.0 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 114.732 1.382 . . . . 100.0 114.732 175.129 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -62.3 -39.0 91.55 Favored 'General case' 0 N--CA 1.444 -0.759 0 O-C-N 120.63 -1.294 . . . . 45.88 108.451 177.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.783 ' NZ ' ' HG2' ' B' ' 4' ' ' GLN . 0.0 OUTLIER -56.22 -45.06 80.09 Favored 'General case' 0 N--CA 1.434 -1.254 0 CA-C-N 115.54 -0.754 . . . . 100.0 110.581 178.9 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . 0.481 HD11 HG23 ' A' ' 5' ' ' ILE . 19.7 mt -65.45 -42.39 93.23 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.497 0 CA-C-O 121.159 0.504 . . . . 100.0 111.786 -177.823 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -64.05 -29.14 70.3 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 119.315 -2.115 . . . . 100.0 110.45 -179.268 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . 0.762 ' CD ' ' HE3' ' B' ' 15' ' ' LYS . 3.9 tt0 -65.48 -52.07 55.53 Favored 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.589 -1.187 . . . . 95.56 111.128 178.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 96.5 mt -53.76 -46.45 62.59 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.455 0 O-C-N 124.216 0.948 . . . . 47.18 112.083 175.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . 0.286 88.1 mt -54.94 -47.7 74.11 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 125.85 1.66 . . . . 47.11 113.469 174.218 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 44.5 t -64.67 -46.01 84.27 Favored 'General case' 0 C--O 1.207 -1.165 0 O-C-N 119.896 -1.752 . . . . 84.3 111.481 -177.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.776 ' HD2' ' O ' ' B' ' 43' ' ' HOH . 34.7 mttt -64.38 -42.98 95.86 Favored 'General case' 0 N--CA 1.415 -2.222 0 O-C-N 120.814 -1.179 . . . . 69.71 112.117 179.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ILE . . . . . . . . . . . . . 11.7 mt -55.75 -40.66 62.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 124.875 2.274 . . . . 51.56 111.374 -179.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -64.7 -39.6 93.93 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-N 112.566 -2.106 . . . . 91.31 111.231 -179.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.762 ' HA ' ' O ' ' B' ' 35' ' ' HOH . 38.1 t60 -60.94 -51.1 70.71 Favored 'General case' 0 N--CA 1.436 -1.175 0 CA-C-N 114.985 -1.007 . . . . 76.07 109.254 175.36 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 84.3 mt -57.08 -47.88 82.92 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 CA-C-N 114.992 -1.003 . . . . 61.65 112.063 -179.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -60.83 -29.59 69.59 Favored 'General case' 0 CA--C 1.555 1.146 0 CA-C-O 124.103 1.906 . . . . 100.0 111.039 178.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -71.58 -48.53 47.77 Favored 'General case' 0 C--N 1.314 -0.944 0 O-C-N 117.69 -3.131 . . . . 60.9 113.142 173.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -51.23 -58.53 5.92 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 108.412 -0.958 . . . . 59.61 108.412 176.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -49.18 -35.25 7.73 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.896 0 C-N-CA 124.874 1.27 . . . . 45.76 113.536 -179.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.91 -55.27 23.87 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 123.732 1.73 . . . . 71.92 111.794 175.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.653 ' NE ' ' OE2' ' C' ' 32' ' ' GLU . 0.1 OUTLIER -60.38 -25.11 65.63 Favored 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 114.076 -1.42 . . . . 100.0 112.685 178.865 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ILE . . . . . . . . . . . . . 49.1 mt -76.21 -29.62 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 123.388 1.566 . . . . 78.27 110.605 -175.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.479 ' NZ ' HH12 ' A' ' 25' ' ' ARG . 84.1 mttt -71.21 -57.0 4.91 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 113.955 -1.475 . . . . 99.26 109.508 179.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.531 ' O ' ' O ' ' B' ' 31' ' ' GLY . 0.0 OUTLIER -38.34 -61.13 0.71 Allowed 'General case' 0 C--O 1.223 -0.319 0 C-N-CA 125.378 1.471 . . . . 100.0 112.081 170.358 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' B' ' 25' ' ' ARG . 28.4 mt -52.72 -42.48 64.91 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 125.953 1.701 . . . . 88.31 114.651 175.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . 0.427 1.6 pt -95.55 6.7 7.5 Favored 'Isoleucine or valine' 0 C--N 1.354 0.767 0 N-CA-C 115.673 1.731 . . . . 68.45 115.673 178.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . 0.531 ' O ' ' O ' ' B' ' 28' ' ' LYS . . . -160.52 -167.7 21.4 Favored Glycine 0 CA--C 1.522 0.484 0 CA-C-O 118.866 -0.963 . . . . 100.0 111.63 -175.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.242 0 CA-C-O 123.428 1.585 . . . . 100.0 114.285 -178.585 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.101 . . . . . . . . 88.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -18.86 -51.75 0.01 OUTLIER 'General case' 0 N--CA 1.437 -1.101 0 C-N-CA 129.098 2.959 . . . . 100.0 114.698 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' MET . . . . . 0.591 ' CE ' ' HE3' ' B' ' 2' ' ' MET . 0.8 OUTLIER -71.8 -29.5 64.51 Favored 'General case' 0 C--N 1.308 -1.204 0 O-C-N 120.794 -1.191 . . . . 51.81 111.6 -178.396 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -39.16 57.59 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 124.267 1.984 . . . . 93.71 111.591 -176.238 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLN . . . . . 0.681 ' HA ' HE21 ' C' ' 4' ' ' GLN . 0.4 OUTLIER -63.02 -50.19 71.69 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 104.976 -2.231 . . . . 100.0 104.976 -179.084 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ILE . . . . . . . . . . . . . 39.6 mt -49.68 -44.52 19.9 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.57 0 O-C-N 124.305 1.003 . . . . 54.28 112.991 175.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -67.26 -35.65 79.97 Favored 'General case' 0 CA--C 1.508 -0.657 0 CA-C-O 121.67 0.748 . . . . 55.55 109.669 -179.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -66.74 -39.48 87.95 Favored 'General case' 0 C--O 1.197 -1.678 0 C-N-CA 117.139 -1.824 . . . . 88.12 110.573 -175.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.534 ' HE2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -72.72 -34.63 67.22 Favored 'General case' 0 N--CA 1.431 -1.385 0 C-N-CA 124.155 0.982 . . . . 91.22 109.983 -175.412 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ILE . . . . . 0.458 HD13 HG21 ' C' ' 9' ' ' ILE . 6.4 mt -65.64 -36.87 78.62 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.983 0 CA-C-O 122.905 1.336 . . . . 52.33 109.923 177.199 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -69.84 -35.08 74.45 Favored 'General case' 0 N--CA 1.435 -1.189 0 O-C-N 118.206 -2.809 . . . . 100.0 110.529 177.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -65.68 -39.76 91.66 Favored 'General case' 0 CA--C 1.512 -0.5 0 CA-C-O 124.599 2.143 . . . . 100.0 109.795 -179.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -61.0 -47.08 95.23 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.369 0 CA-C-N 113.494 -1.685 . . . . 94.83 113.116 172.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . 0.665 HD21 ' OE1' ' B' ' 11' ' ' GLU . 19.6 mt -66.57 -24.02 66.29 Favored 'General case' 0 C--O 1.193 -1.895 0 O-C-N 120.238 -1.538 . . . . 45.91 110.708 -178.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' SER . . . . . . . . . . . . . 5.3 m -74.15 -46.12 44.37 Favored 'General case' 0 N--CA 1.421 -1.895 0 O-C-N 119.994 -1.691 . . . . 56.79 110.225 -179.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . 0.29 2.1 mmtp -61.63 -46.18 90.9 Favored 'General case' 0 C--N 1.305 -1.344 0 N-CA-C 106.703 -1.591 . . . . 61.55 106.703 -178.262 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ILE . . . . . . . . . . . . . 2.5 mt -62.97 -36.94 77.9 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.599 0 CA-C-N 112.832 -1.985 . . . . 88.25 112.731 -174.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -61.4 -48.5 80.93 Favored 'General case' 0 C--O 1.222 -0.35 0 C-N-CA 125.844 1.657 . . . . 48.29 109.464 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -55.52 -44.56 76.76 Favored 'General case' 0 CA--C 1.557 1.244 0 CA-C-N 114.881 -1.054 . . . . 61.68 113.468 177.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ILE . . . . . . . . . . . . . 42.0 mt -65.99 -36.51 77.67 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.427 0 C-N-CA 126.911 2.084 . . . . 37.02 108.734 179.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' GLU . . . . . 0.68 ' HG2' ' O ' ' B' ' 34' ' ' HOH . 43.0 mt-10 -69.21 -32.36 71.57 Favored 'General case' 0 C--O 1.2 -1.522 0 CA-C-O 122.204 1.002 . . . . 100.0 110.372 -179.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -71.37 -43.65 66.49 Favored 'General case' 0 N--CA 1.427 -1.602 0 O-C-N 119.764 -1.835 . . . . 93.27 106.267 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -54.66 -47.6 73.36 Favored 'General case' 0 N--CA 1.478 0.932 0 O-C-N 121.112 -0.992 . . . . 68.42 110.61 179.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ILE . . . . . . . . . . . . . 18.7 mt -57.29 -41.59 78.54 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.44 0 CA-C-N 114.183 -1.371 . . . . 86.12 112.759 177.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.32 -37.83 84.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 124.28 1.99 . . . . 100.0 114.797 -176.239 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . 0.274 73.7 ttt180 -78.67 -33.2 47.21 Favored 'General case' 0 N--CA 1.399 -3.003 0 CA-C-N 112.744 -2.026 . . . . 63.5 109.003 178.524 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ILE . . . . . . . . . . . . . 41.7 mt -67.51 -47.37 80.77 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.668 0 O-C-N 118.706 -2.496 . . . . 49.12 109.507 176.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -50.61 -35.27 29.53 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-O 124.339 2.019 . . . . 83.96 113.852 177.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.61 -58.2 4.23 Favored 'General case' 0 N--CA 1.429 -1.511 0 CA-C-N 113.957 -1.474 . . . . 100.0 107.316 178.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LEU . . . . . 0.409 ' HA ' HD23 ' C' ' 29' ' ' LEU . 7.1 mt -42.09 -30.49 0.29 Allowed 'General case' 0 C--O 1.217 -0.622 0 O-C-N 125.77 1.919 . . . . 79.83 115.575 178.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 17.7 pt -112.8 11.86 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.642 0 CA-C-O 122.334 1.064 . . . . 53.01 110.919 -177.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . 70.16 27.58 72.71 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 118.217 2.047 . . . . 57.63 118.217 -176.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' GLU . . . . . 0.653 ' OE2' ' NE ' ' B' ' 25' ' ' ARG 0.278 60.3 tt0 -79.62 130.49 35.42 Favored 'General case' 0 C--O 1.244 0.774 0 C-N-CA 117.437 -1.705 . . . . 100.0 108.664 175.528 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.514 -0.415 0 C-N-CA 119.433 -0.907 . . . . 100.0 111.528 -178.013 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . 0.68 ' O ' ' HG2' ' C' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . 0.762 ' O ' ' HA ' ' B' ' 18' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . 0.776 ' O ' ' HD2' ' B' ' 15' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' HOH . . . . . 0.468 ' O ' ' OE1' ' C' ' 20' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_