data_1en2_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 1en2 _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' ' ' PCA . . . . . . . . . . . . . . . . . . . . 2 C--O 1.341 5.876 0 CA-C-O 117.09 -1.434 . . . . 26.24 110.301 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -76.39 152.87 36.15 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 125.462 1.726 . . . . 33.34 112.782 -175.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -163.61 163.99 24.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.214 0.53 . . . . 16.22 112.156 -177.321 58.739 88.838 93.985 104.889 2.051 100.934 73.001 -174.389 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.79 -155.53 52.92 Favored Glycine 0 N--CA 1.433 -1.518 0 N-CA-C 117.409 1.724 . . . . 17.88 117.409 166.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -67.52 -31.47 71.61 Favored 'General case' 0 C--O 1.252 1.188 0 C-N-CA 119.296 -0.961 . . . . 22.84 113.355 -170.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -93.93 -10.54 33.46 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 118.546 0.612 . . . . 32.97 112.273 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.77 27.24 5.74 Favored Glycine 0 CA--C 1.491 -1.431 0 N-CA-C 116.85 1.5 . . . . 27.63 116.85 -173.103 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.17 -5.94 56.04 Favored Glycine 0 C--O 1.254 1.391 0 CA-C-N 119.653 1.726 . . . . 27.64 115.834 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.26 0.79 65.12 Favored Glycine 0 N--CA 1.436 -1.366 0 CA-C-N 119.314 1.557 . . . . 26.91 116.832 176.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 141' ' ' HOH 0.447 0.9 OUTLIER . . . . . 0 N--CA 1.441 -0.892 0 CA-C-N 119.925 1.863 . . . . 26.99 114.778 -177.315 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.99 0 CA-C-O 123.191 1.439 . . . . 23.87 114.778 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.3 m -106.99 140.77 39.25 Favored 'General case' 0 C--O 1.255 1.372 0 C-N-CA 125.746 1.619 . . . . 24.31 108.054 173.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 99.4 m -68.88 150.24 97.67 Favored Pre-proline 0 C--N 1.293 -1.878 0 CA-C-N 120.06 1.3 . . . . 14.75 113.195 -175.406 -65.576 -72.268 -88.583 101.292 2.029 102.637 -73.432 -64.351 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -57.27 139.92 91.44 Favored 'Trans proline' 0 C--O 1.249 1.032 0 C-N-CA 121.311 1.341 . . . . 15.93 109.189 168.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.601 0 C-N-CA 125.015 1.293 . . . . 17.39 112.655 179.201 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.194 0 N-CA-C 112.655 0.613 . . . . 18.86 112.655 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? 54.68 38.12 29.46 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 125.576 1.797 . . . . 21.59 112.397 -179.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -0.996 0 C-N-CA 123.895 0.878 . . . . 23.25 111.014 177.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.0 m95 . . . . . 0 N--CA 1.441 -0.917 0 CA-C-O 121.682 0.753 . . . . 26.49 112.671 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.4 m -72.43 140.45 48.33 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 127.692 3.12 . . . . 12.03 111.833 -174.849 -48.653 144.813 98.608 101.571 2.063 103.137 -64.241 -64.918 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.53 120.52 41.46 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 118.017 -0.992 . . . . 11.58 109.566 171.527 -174.389 73.001 93.985 100.934 2.051 104.889 88.838 58.739 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 p -76.02 168.97 19.07 Favored 'General case' 0 C--O 1.204 -1.331 0 CA-C-N 119.12 0.873 . . . . 12.53 110.953 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.6 pt -66.66 -12.87 15.46 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-N 113.654 -1.612 . . . . 15.84 111.502 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -89.13 -2.48 58.55 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 121.206 -0.934 . . . . 18.02 113.287 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.63 32.84 14.46 Favored Glycine 0 C--O 1.258 1.647 0 CA-C-O 117.094 -1.948 . . . . 11.91 112.979 174.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -130.05 154.09 47.79 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 124.775 0.927 . . . . 20.75 109.125 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.1 m -95.89 141.23 29.57 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 113.855 1.057 . . . . 13.73 113.855 -178.033 -64.351 -73.432 -88.583 102.637 2.029 101.292 -72.268 -65.576 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.39 -176.68 42.07 Favored Glycine 0 C--N 1.319 -0.363 0 CA-C-N 118.793 0.724 . . . . 13.3 111.903 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -129.9 12.1 5.68 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 113.279 0.844 . . . . 33.27 113.279 -171.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.0 p -114.62 175.97 5.25 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 123.986 0.914 . . . . 21.34 111.736 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -48.31 -47.98 66.62 Favored Pre-proline 0 C--O 1.246 0.886 0 N-CA-C 116.637 2.088 . . . . 25.81 116.637 -173.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -58.36 -28.41 84.75 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 121.383 1.388 . . . . 20.48 113.429 -179.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -92.71 -33.77 14.21 Favored 'General case' 0 N--CA 1.433 -1.282 0 O-C-N 119.754 -1.841 . . . . 15.25 113.658 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.6 m -110.97 -15.7 13.69 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 114.746 1.387 . . . . 14.9 114.746 -167.025 -64.918 -64.241 98.608 103.137 2.063 101.571 144.813 -48.653 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -94.92 -127.28 5.04 Favored Glycine 0 C--O 1.206 -1.602 0 CA-C-O 124.323 2.068 . . . . 17.28 112.569 -175.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -32.67 71.19 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 114.473 1.286 . . . . 23.28 114.473 -176.352 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 p -104.99 31.29 4.92 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 121.793 0.806 . . . . 18.28 111.302 -176.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.51 141.11 29.09 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-N 114.869 -1.059 . . . . 15.67 113.303 175.722 -179.919 -103.679 -89.19 102.656 2.031 102.462 -60.319 -52.923 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -98.93 -40.57 8.01 Favored 'General case' 0 C--N 1.311 -1.094 0 O-C-N 120.906 -1.121 . . . . 23.44 112.535 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -149.1 153.85 38.38 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.177 0.899 . . . . 21.73 109.637 -175.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt 52.07 56.82 7.21 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 124.85 2.262 . . . . 20.45 109.617 -178.966 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.6 m -96.5 158.27 15.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.39 -2.068 . . . . 13.84 114.118 -172.886 -52.923 -60.319 -89.19 102.462 2.031 102.656 -103.679 -179.919 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -55.82 -40.89 73.43 Favored 'General case' 0 C--N 1.316 -0.884 0 O-C-N 124.522 1.139 . . . . 19.39 110.351 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.8 p -70.95 -6.59 39.83 Favored 'General case' 0 C--O 1.261 1.694 0 N-CA-C 112.93 0.715 . . . . 25.31 112.93 -175.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.94 1.07 82.92 Favored Glycine 0 N--CA 1.412 -2.949 0 O-C-N 119.615 -1.928 . . . . 16.81 115.437 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.12 137.52 58.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 119.113 1.457 . . . . 15.48 108.53 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -64.79 147.33 53.4 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.08 0.943 . . . . 26.62 110.928 176.205 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.8 p -60.52 -28.2 68.22 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 119.796 -0.762 . . . . 22.46 112.792 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -88.39 -0.65 57.41 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 112.369 0.507 . . . . 23.44 112.369 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 66.52 11.06 7.83 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 114.384 1.253 . . . . 16.14 114.384 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -73.07 151.16 41.79 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 120.686 1.585 . . . . 37.75 110.164 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -148.05 -176.53 5.32 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 108.812 -0.81 . . . . 17.7 108.812 174.95 62.036 109.01 94.27 104.089 2.02 103.033 63.581 -179.781 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.39 -177.38 34.79 Favored Glycine 0 C--N 1.311 -0.835 0 CA-C-O 123.136 1.409 . . . . 21.47 110.778 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.13 75.26 Favored 'General case' 0 C--O 1.249 1.03 0 N-CA-C 115.447 1.647 . . . . 29.51 115.447 -171.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.67 -23.87 66.89 Favored 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.144 -0.972 . . . . 33.09 113.467 -176.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.48 22.57 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.888 0.851 . . . . 28.71 111.027 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.59 31.36 45.56 Favored Glycine 0 N--CA 1.436 -1.308 0 N-CA-C 116.79 1.476 . . . . 23.95 116.79 173.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 49.5 57.33 18.12 Favored Pre-proline 0 N--CA 1.441 -0.909 0 N-CA-C 114.972 1.471 . . . . 29.8 114.972 176.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.13 163.01 39.31 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.644 1.562 . . . . 15.95 110.95 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -74.79 173.31 14.63 Favored 'Trans proline' 0 N--CA 1.434 -2.005 0 C-N-CA 123.619 2.879 . . . . 14.56 113.539 175.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.5 m -119.48 162.09 19.46 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 108.264 -1.013 . . . . 13.05 108.264 168.981 -58.758 -64.444 -80.527 103.452 2.042 104.115 -71.81 -70.076 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.34 -173.63 21.97 Favored Glycine 0 C--N 1.308 -1.013 0 O-C-N 123.772 0.67 . . . . 15.41 113.286 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -60.36 129.1 39.99 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 121.56 -0.965 . . . . 30.08 113.269 -177.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 62.99 27.62 15.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 123.257 1.503 . . . . 33.16 112.673 177.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -124.26 150.85 44.88 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 114.876 -1.056 . . . . 19.33 109.999 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 13.5 m -129.86 160.65 32.88 Favored 'General case' 0 C--O 1.258 1.509 0 O-C-N 120.147 -1.596 . . . . 16.96 110.827 -177.537 -46.153 107.651 99.472 103.337 2.039 103.577 -71.734 -65.898 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.1 t -94.17 111.3 23.01 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 123.842 0.713 . . . . 15.86 110.143 177.962 -179.781 63.581 94.27 103.033 2.02 104.089 109.01 62.036 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 p -72.78 163.83 27.5 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 123.662 1.696 . . . . 17.06 111.074 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.1 m -65.52 -12.92 14.55 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 CA-C-N 114.368 -1.287 . . . . 22.45 112.878 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -90.22 -5.77 56.0 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 120.009 -0.676 . . . . 24.79 112.387 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.95 29.59 8.48 Favored Glycine 0 C--O 1.255 1.466 0 CA-C-O 117.433 -1.76 . . . . 18.21 114.668 173.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -134.21 144.18 48.3 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 118.98 1.39 . . . . 23.67 110.34 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 92.4 m -81.08 147.15 30.25 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 118.333 -0.841 . . . . 15.28 109.517 173.351 -70.076 -71.81 -80.527 104.115 2.042 103.452 -64.444 -58.758 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.48 174.98 45.98 Favored Glycine 0 C--N 1.31 -0.907 0 N-CA-C 109.627 -1.389 . . . . 18.2 109.627 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.4 156.88 15.74 Favored Glycine 0 N--CA 1.471 1.008 0 C-N-CA 119.045 -1.55 . . . . 26.21 110.81 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 97.63 176.75 34.03 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-O 122.96 1.311 . . . . 27.24 113.896 175.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASN . . . . . 0.524 ' O ' ' CD ' ' A' ' 81' ' ' ASN . 25.9 t-20 -53.72 -38.93 64.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 115.433 1.642 . . . . 35.56 115.433 -175.706 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -65.92 -19.67 65.95 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.828 1.047 . . . . 40.33 113.828 -176.561 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -109.41 -29.51 8.4 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 112.305 0.483 . . . . 21.83 112.305 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 96.8 m -107.54 -15.08 14.69 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 117.603 2.445 . . . . 27.57 117.603 -166.397 -65.898 -71.734 99.472 103.577 2.039 103.337 107.651 -46.153 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . 0.47 ' OG ' ' ND2' ' A' ' 74' ' ' ASN . 50.5 m -91.74 152.44 20.18 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 114.677 1.362 . . . . 38.49 114.677 -172.985 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' GLY . . . . . 1.322 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -33.3 126.0 0.36 Allowed Glycine 0 N--CA 1.42 -2.373 0 C-N-CA 125.673 1.606 . . . . 32.73 117.055 -179.169 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLY . . . . . 1.322 ' N ' ' O ' ' A' ' 79' ' ' GLY 0.367 . . . . . . . 1 C--N 1.132 -10.768 3 O-C-N 96.948 -15.442 . . . . 31.9 111.764 148.644 . . . . . . . . 4 2 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 p . . . . . 0 N--CA 1.441 -0.903 0 N-CA-C 114.012 1.116 . . . . 33.96 114.012 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASN . . . . . 0.524 ' CD ' ' O ' ' A' ' 74' ' ' ASN . 81.0 m-20 . . . . . 1 C--N 1.242 -4.075 0 O-C-N 118.576 -2.577 . . . . 30.49 111.42 176.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.8 mttt . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 110.02 -0.363 . . . . 35.39 110.02 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.2 t -118.52 136.48 53.81 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 119.508 -1.995 . . . . 22.87 114.244 -167.436 -176.562 -107.402 -94.588 104.798 2.02 103.768 -60.29 -53.723 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . 0.252 22.1 pt20 -99.02 -38.07 9.11 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 120.924 -1.11 . . . . 26.53 113.602 178.402 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' TYR . . . . . . . . . . . . . 15.7 p90 -157.04 164.53 37.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.954 1.359 . . . . 17.66 111.159 176.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 53.44 47.14 24.78 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 123.72 1.724 . . . . 18.52 111.856 -174.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.25 1.098 0 CA-C-N 113.734 -1.576 . . . . 25.66 115.14 -173.61 -53.723 -60.29 -94.588 103.768 2.02 104.798 -107.402 -176.562 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . 0.405 ' O ' ' CB ' ' A' ' 10' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 2 C--O 1.341 5.876 0 CA-C-O 117.09 -1.434 . . . . 26.24 110.301 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -76.39 152.87 36.15 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 125.462 1.726 . . . . 33.34 112.782 -175.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -163.61 163.99 24.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.214 0.53 . . . . 16.22 112.156 -177.321 58.739 88.838 93.985 104.889 2.051 100.934 73.001 -174.389 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.79 -155.53 52.92 Favored Glycine 0 N--CA 1.433 -1.518 0 N-CA-C 117.409 1.724 . . . . 17.88 117.409 166.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -67.52 -31.47 71.61 Favored 'General case' 0 C--O 1.252 1.188 0 C-N-CA 119.296 -0.961 . . . . 22.84 113.355 -170.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -93.93 -10.54 33.46 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 118.546 0.612 . . . . 32.97 112.273 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.77 27.24 5.74 Favored Glycine 0 CA--C 1.491 -1.431 0 N-CA-C 116.85 1.5 . . . . 27.63 116.85 -173.103 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.17 -5.94 56.04 Favored Glycine 0 C--O 1.254 1.391 0 CA-C-N 119.653 1.726 . . . . 27.64 115.834 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.26 0.79 65.12 Favored Glycine 0 N--CA 1.436 -1.366 0 CA-C-N 119.314 1.557 . . . . 26.91 116.832 176.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' SER . . . . . 0.73 ' HB3' ' O ' ' A' ' 141' ' ' HOH 0.447 0.9 OUTLIER . . . . . 0 N--CA 1.441 -0.892 0 CA-C-N 119.925 1.863 . . . . 26.99 114.778 -177.315 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.99 0 CA-C-O 123.191 1.439 . . . . 23.87 114.778 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.3 m -106.99 140.77 39.25 Favored 'General case' 0 C--O 1.255 1.372 0 C-N-CA 125.746 1.619 . . . . 24.31 108.054 173.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 99.4 m -68.88 150.24 97.67 Favored Pre-proline 0 C--N 1.293 -1.878 0 CA-C-N 120.06 1.3 . . . . 14.75 113.195 -175.406 -65.576 -72.268 -88.583 101.292 2.029 102.637 -73.432 -64.351 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -57.27 139.92 91.44 Favored 'Trans proline' 0 C--O 1.249 1.032 0 C-N-CA 121.311 1.341 . . . . 15.93 109.189 168.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLY . . . . . 0.54 ' HB1' ' O ' ' A' ' 122' ' ' HOH . . . . . . . . 0 CA--C 1.54 1.601 0 C-N-CA 125.015 1.293 . . . . 17.39 112.655 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.194 0 N-CA-C 112.655 0.613 . . . . 18.86 112.655 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . 0.611 HD12 ' CD2' ' A' ' 84' ' ' TYR . 3.7 mm? 54.68 38.12 29.46 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 125.576 1.797 . . . . 21.59 112.397 -179.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ARG . . . . . 0.616 ' HZ3' ' O ' ' A' ' 154' ' ' HOH . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -0.996 0 C-N-CA 123.895 0.878 . . . . 26.05 111.014 177.033 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.0 m95 . . . . . 0 N--CA 1.441 -0.917 0 CA-C-O 121.682 0.753 . . . . 26.49 112.671 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.4 m -72.43 140.45 48.33 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 127.692 3.12 . . . . 12.03 111.833 -174.849 -48.653 144.813 98.608 101.571 2.063 103.137 -64.241 -64.918 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.53 120.52 41.46 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 118.017 -0.992 . . . . 11.58 109.566 171.527 -174.389 73.001 93.985 100.934 2.051 104.889 88.838 58.739 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 p -76.02 168.97 19.07 Favored 'General case' 0 C--O 1.204 -1.331 0 CA-C-N 119.12 0.873 . . . . 12.53 110.953 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.6 pt -66.66 -12.87 15.46 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-N 113.654 -1.612 . . . . 15.84 111.502 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -89.13 -2.48 58.55 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 121.206 -0.934 . . . . 18.02 113.287 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.63 32.84 14.46 Favored Glycine 0 C--O 1.258 1.647 0 CA-C-O 117.094 -1.948 . . . . 11.91 112.979 174.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -130.05 154.09 47.79 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 124.775 0.927 . . . . 20.75 109.125 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.1 m -95.89 141.23 29.57 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 113.855 1.057 . . . . 13.73 113.855 -178.033 -64.351 -73.432 -88.583 102.637 2.029 101.292 -72.268 -65.576 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.39 -176.68 42.07 Favored Glycine 0 C--N 1.319 -0.363 0 CA-C-N 118.793 0.724 . . . . 13.3 111.903 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -129.9 12.1 5.68 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 113.279 0.844 . . . . 33.27 113.279 -171.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.0 p -114.62 175.97 5.25 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 123.986 0.914 . . . . 21.34 111.736 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . 0.402 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 20.2 tp10 -48.31 -47.98 66.62 Favored Pre-proline 0 C--O 1.246 0.886 0 N-CA-C 116.637 2.088 . . . . 25.81 116.637 -173.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD3' ' HB3' ' A' ' 28' ' ' GLU . 32.3 Cg_exo -58.36 -28.41 84.75 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 121.383 1.388 . . . . 20.48 113.429 -179.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -92.71 -33.77 14.21 Favored 'General case' 0 N--CA 1.433 -1.282 0 O-C-N 119.754 -1.841 . . . . 15.25 113.658 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.6 m -110.97 -15.7 13.69 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 114.746 1.387 . . . . 14.9 114.746 -167.025 -64.918 -64.241 98.608 103.137 2.063 101.571 144.813 -48.653 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -94.92 -127.28 5.04 Favored Glycine 0 C--O 1.206 -1.602 0 CA-C-O 124.323 2.068 . . . . 17.28 112.569 -175.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -32.67 71.19 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 114.473 1.286 . . . . 23.28 114.473 -176.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 p -104.99 31.29 4.92 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 121.793 0.806 . . . . 18.28 111.302 -176.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.51 141.11 29.09 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-N 114.869 -1.059 . . . . 15.67 113.303 175.722 -179.919 -103.679 -89.19 102.656 2.031 102.462 -60.319 -52.923 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -98.93 -40.57 8.01 Favored 'General case' 0 C--N 1.311 -1.094 0 O-C-N 120.906 -1.121 . . . . 23.44 112.535 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -149.1 153.85 38.38 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.177 0.899 . . . . 21.73 109.637 -175.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HE3' HD12 ' A' ' 15' ' ' LEU . 73.7 mmtt 52.07 56.82 7.21 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 124.85 2.262 . . . . 20.45 109.617 -178.966 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.6 m -96.5 158.27 15.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.39 -2.068 . . . . 13.84 114.118 -172.886 -52.923 -60.319 -89.19 102.462 2.031 102.656 -103.679 -179.919 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -55.82 -40.89 73.43 Favored 'General case' 0 C--N 1.316 -0.884 0 O-C-N 124.522 1.139 . . . . 19.39 110.351 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.8 p -70.95 -6.59 39.83 Favored 'General case' 0 C--O 1.261 1.694 0 N-CA-C 112.93 0.715 . . . . 25.31 112.93 -175.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.94 1.07 82.92 Favored Glycine 0 N--CA 1.412 -2.949 0 O-C-N 119.615 -1.928 . . . . 16.81 115.437 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.12 137.52 58.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 119.113 1.457 . . . . 15.48 108.53 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -64.79 147.33 53.4 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.08 0.943 . . . . 26.62 110.928 176.205 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.8 p -60.52 -28.2 68.22 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 119.796 -0.762 . . . . 23.41 112.792 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -88.39 -0.65 57.41 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 112.369 0.507 . . . . 23.44 112.369 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 66.52 11.06 7.83 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 114.384 1.253 . . . . 16.14 114.384 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -73.07 151.16 41.79 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 120.686 1.585 . . . . 37.75 110.164 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -148.05 -176.53 5.32 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 108.812 -0.81 . . . . 17.7 108.812 174.95 62.036 109.01 94.27 104.089 2.02 103.033 63.581 -179.781 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.39 -177.38 34.79 Favored Glycine 0 C--N 1.311 -0.835 0 CA-C-O 123.136 1.409 . . . . 21.47 110.778 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.13 75.26 Favored 'General case' 0 C--O 1.249 1.03 0 N-CA-C 115.447 1.647 . . . . 29.51 115.447 -171.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.67 -23.87 66.89 Favored 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.144 -0.972 . . . . 33.09 113.467 -176.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.48 22.57 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.888 0.851 . . . . 28.71 111.027 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.59 31.36 45.56 Favored Glycine 0 N--CA 1.436 -1.308 0 N-CA-C 116.79 1.476 . . . . 23.95 116.79 173.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 49.5 57.33 18.12 Favored Pre-proline 0 N--CA 1.441 -0.909 0 N-CA-C 114.972 1.471 . . . . 29.8 114.972 176.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.13 163.01 39.31 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.644 1.562 . . . . 15.95 110.95 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -74.79 173.31 14.63 Favored 'Trans proline' 0 N--CA 1.434 -2.005 0 C-N-CA 123.619 2.879 . . . . 14.56 113.539 175.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.5 m -119.48 162.09 19.46 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 108.264 -1.013 . . . . 13.05 108.264 168.981 -58.758 -64.444 -80.527 103.452 2.042 104.115 -71.81 -70.076 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.34 -173.63 21.97 Favored Glycine 0 C--N 1.308 -1.013 0 O-C-N 123.772 0.67 . . . . 15.41 113.286 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -60.36 129.1 39.99 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 121.56 -0.965 . . . . 30.08 113.269 -177.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 62.99 27.62 15.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 123.257 1.503 . . . . 33.16 112.673 177.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -124.26 150.85 44.88 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 114.876 -1.056 . . . . 19.33 109.999 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 13.5 m -129.86 160.65 32.88 Favored 'General case' 0 C--O 1.258 1.509 0 O-C-N 120.147 -1.596 . . . . 16.96 110.827 -177.537 -46.153 107.651 99.472 103.337 2.039 103.577 -71.734 -65.898 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.1 t -94.17 111.3 23.01 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 123.842 0.713 . . . . 15.86 110.143 177.962 -179.781 63.581 94.27 103.033 2.02 104.089 109.01 62.036 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 p -72.78 163.83 27.5 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 123.662 1.696 . . . . 17.06 111.074 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.1 m -65.52 -12.92 14.55 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 CA-C-N 114.368 -1.287 . . . . 22.45 112.878 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -90.22 -5.77 56.0 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 120.009 -0.676 . . . . 24.79 112.387 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.95 29.59 8.48 Favored Glycine 0 C--O 1.255 1.466 0 CA-C-O 117.433 -1.76 . . . . 18.21 114.668 173.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -134.21 144.18 48.3 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 118.98 1.39 . . . . 23.67 110.34 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 92.4 m -81.08 147.15 30.25 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 118.333 -0.841 . . . . 15.28 109.517 173.351 -70.076 -71.81 -80.527 104.115 2.042 103.452 -64.444 -58.758 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.48 174.98 45.98 Favored Glycine 0 C--N 1.31 -0.907 0 N-CA-C 109.627 -1.389 . . . . 18.2 109.627 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.4 156.88 15.74 Favored Glycine 0 N--CA 1.471 1.008 0 C-N-CA 119.045 -1.55 . . . . 26.21 110.81 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 97.63 176.75 34.03 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-O 122.96 1.311 . . . . 27.24 113.896 175.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASN . . . . . 0.663 ' O ' ' HD2' ' A' ' 81' ' ' ASN . 12.9 t30 -53.72 -38.93 64.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 115.433 1.642 . . . . 36.27 115.433 -175.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . 0.779 ' HA ' ' HD3' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -65.92 -19.67 65.95 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.828 1.047 . . . . 40.33 113.828 -176.561 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -109.41 -29.51 8.4 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 112.305 0.483 . . . . 21.83 112.305 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 96.8 m -107.54 -15.08 14.69 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 117.603 2.445 . . . . 27.57 117.603 -166.397 -65.898 -71.734 99.472 103.577 2.039 103.337 107.651 -46.153 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 81' ' ' ASN . 50.5 m -91.74 152.44 20.18 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 114.677 1.362 . . . . 38.49 114.677 -172.985 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' GLY . . . . . 1.322 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -33.3 126.0 0.36 Allowed Glycine 0 N--CA 1.42 -2.373 0 C-N-CA 125.673 1.606 . . . . 33.24 117.055 -179.169 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLY . . . . . 1.322 ' N ' ' O ' ' A' ' 79' ' ' GLY 0.367 . . . . . . . 1 C--N 1.132 -10.768 3 O-C-N 96.948 -15.442 . . . . 31.9 111.764 148.644 . . . . . . . . 4 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 p . . . . . 0 N--CA 1.441 -0.903 0 N-CA-C 114.012 1.116 . . . . 33.96 114.012 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASN . . . . . 0.779 ' HD3' ' HA ' ' A' ' 75' ' ' ASP . 81.0 m-20 . . . . . 1 C--N 1.242 -4.075 0 O-C-N 118.576 -2.577 . . . . 30.49 111.42 176.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.8 mttt . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 110.02 -0.363 . . . . 35.39 110.02 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.2 t -118.52 136.48 53.81 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 119.508 -1.995 . . . . 22.87 114.244 -167.436 -176.562 -107.402 -94.588 104.798 2.02 103.768 -60.29 -53.723 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . 0.252 22.1 pt20 -99.02 -38.07 9.11 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 120.924 -1.11 . . . . 26.53 113.602 178.402 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' TYR . . . . . 0.611 ' CD2' HD12 ' A' ' 15' ' ' LEU . 15.7 p90 -157.04 164.53 37.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.954 1.359 . . . . 17.66 111.159 176.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 53.44 47.14 24.78 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 123.72 1.724 . . . . 18.52 111.856 -174.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.25 1.098 0 CA-C-N 113.734 -1.576 . . . . 25.66 115.14 -173.61 -53.723 -60.29 -94.588 103.768 2.02 104.798 -107.402 -176.562 0 0 . 1 . 001 ecloud build full ' A' A ' 90' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 91' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . 0.54 ' O ' ' HB1' ' A' ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . 0.73 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . 0.616 ' O ' ' HZ3' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 2 C--O 1.341 5.876 0 CA-C-O 117.09 -1.434 . . . . 26.24 110.301 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -76.39 152.87 36.15 Favored 'General case' 0 N--CA 1.481 1.098 0 O-C-N 125.462 1.726 . . . . 33.34 112.782 -175.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -163.61 163.99 24.24 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-O 121.214 0.53 . . . . 16.22 112.156 -177.321 58.739 88.838 93.985 104.889 2.051 100.934 73.001 -174.389 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.79 -155.53 52.92 Favored Glycine 0 N--CA 1.433 -1.518 0 N-CA-C 117.409 1.724 . . . . 17.88 117.409 166.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -67.52 -31.47 71.61 Favored 'General case' 0 C--O 1.252 1.188 0 C-N-CA 119.296 -0.961 . . . . 22.84 113.355 -170.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -93.93 -10.54 33.46 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 118.546 0.612 . . . . 32.97 112.273 -179.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.77 27.24 5.74 Favored Glycine 0 CA--C 1.491 -1.431 0 N-CA-C 116.85 1.5 . . . . 27.63 116.85 -173.103 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.17 -5.94 56.04 Favored Glycine 0 C--O 1.254 1.391 0 CA-C-N 119.653 1.726 . . . . 27.64 115.834 173.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.26 0.79 65.12 Favored Glycine 0 N--CA 1.436 -1.366 0 CA-C-N 119.314 1.557 . . . . 26.91 116.832 176.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' SER . . . . . 0.73 ' HB3' ' O ' ' A' ' 141' ' ' HOH 0.447 0.9 OUTLIER . . . . . 0 N--CA 1.441 -0.892 0 CA-C-N 119.925 1.863 . . . . 26.99 114.778 -177.315 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.99 0 CA-C-O 123.191 1.439 . . . . 23.87 114.778 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 68.3 m -106.99 140.77 39.25 Favored 'General case' 0 C--O 1.255 1.372 0 C-N-CA 125.746 1.619 . . . . 24.31 108.054 173.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 99.4 m -68.88 150.24 97.67 Favored Pre-proline 0 C--N 1.293 -1.878 0 CA-C-N 120.06 1.3 . . . . 14.75 113.195 -175.406 -65.576 -72.268 -88.583 101.292 2.029 102.637 -73.432 -64.351 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_exo -57.27 139.92 91.44 Favored 'Trans proline' 0 C--O 1.249 1.032 0 C-N-CA 121.311 1.341 . . . . 15.93 109.189 168.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.54 ' HB1' ' O ' ' A' ' 122' ' ' HOH . . . . . . . . 0 CA--C 1.54 1.601 0 C-N-CA 125.015 1.293 . . . . 17.39 112.655 179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.194 0 N-CA-C 112.655 0.613 . . . . 18.86 112.655 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.611 HD12 ' CD2' ' A' ' 84' ' ' TYR . 3.7 mm? 54.68 38.12 29.46 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 125.576 1.797 . . . . 21.59 112.397 -179.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.616 ' HZ3' ' O ' ' A' ' 154' ' ' HOH . 0.1 OUTLIER . . . . . 0 N--CA 1.439 -0.996 0 C-N-CA 123.895 0.878 . . . . 26.05 111.014 177.033 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 11.0 m95 . . . . . 0 N--CA 1.441 -0.917 0 CA-C-O 121.682 0.753 . . . . 26.49 112.671 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.4 m -72.43 140.45 48.33 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 127.692 3.12 . . . . 12.03 111.833 -174.849 -48.653 144.813 98.608 101.571 2.063 103.137 -64.241 -64.918 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 48.6 t -104.53 120.52 41.46 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-O 118.017 -0.992 . . . . 11.58 109.566 171.527 -174.389 73.001 93.985 100.934 2.051 104.889 88.838 58.739 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.6 p -76.02 168.97 19.07 Favored 'General case' 0 C--O 1.204 -1.331 0 CA-C-N 119.12 0.873 . . . . 12.53 110.953 179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 46.6 pt -66.66 -12.87 15.46 Favored 'Isoleucine or valine' 0 C--N 1.356 0.881 0 CA-C-N 113.654 -1.612 . . . . 15.84 111.502 177.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 17.2 m-90 -89.13 -2.48 58.55 Favored 'General case' 0 CA--C 1.508 -0.664 0 O-C-N 121.206 -0.934 . . . . 18.02 113.287 175.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.63 32.84 14.46 Favored Glycine 0 C--O 1.258 1.647 0 CA-C-O 117.094 -1.948 . . . . 11.91 112.979 174.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -130.05 154.09 47.79 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 124.775 0.927 . . . . 20.75 109.125 178.719 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 84.1 m -95.89 141.23 29.57 Favored 'General case' 0 C--O 1.256 1.398 0 N-CA-C 113.855 1.057 . . . . 13.73 113.855 -178.033 -64.351 -73.432 -88.583 102.637 2.029 101.292 -72.268 -65.576 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -173.39 -176.68 42.07 Favored Glycine 0 C--N 1.319 -0.363 0 CA-C-N 118.793 0.724 . . . . 13.3 111.903 175.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 24.8 p30 -129.9 12.1 5.68 Favored 'General case' 0 C--O 1.247 0.951 0 N-CA-C 113.279 0.844 . . . . 33.27 113.279 -171.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.0 p -114.62 175.97 5.25 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 123.986 0.914 . . . . 21.34 111.736 -179.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.402 ' HB3' ' HD3' ' A' ' 29' ' ' PRO . 20.2 tp10 -48.31 -47.98 66.62 Favored Pre-proline 0 C--O 1.246 0.886 0 N-CA-C 116.637 2.088 . . . . 25.81 116.637 -173.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.402 ' HD3' ' HB3' ' A' ' 28' ' ' GLU . 32.3 Cg_exo -58.36 -28.41 84.75 Favored 'Trans proline' 0 C--O 1.248 0.986 0 C-N-CA 121.383 1.388 . . . . 20.48 113.429 -179.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -92.71 -33.77 14.21 Favored 'General case' 0 N--CA 1.433 -1.282 0 O-C-N 119.754 -1.841 . . . . 15.25 113.658 179.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 91.6 m -110.97 -15.7 13.69 Favored 'General case' 0 C--O 1.244 0.767 0 N-CA-C 114.746 1.387 . . . . 14.9 114.746 -167.025 -64.918 -64.241 98.608 103.137 2.063 101.571 144.813 -48.653 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -94.92 -127.28 5.04 Favored Glycine 0 C--O 1.206 -1.602 0 CA-C-O 124.323 2.068 . . . . 17.28 112.569 -175.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.1 -32.67 71.19 Favored 'General case' 0 C--N 1.355 0.828 0 N-CA-C 114.473 1.286 . . . . 23.28 114.473 -176.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.1 p -104.99 31.29 4.92 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 121.793 0.806 . . . . 18.28 111.302 -176.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 52.5 t -90.51 141.11 29.09 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-N 114.869 -1.059 . . . . 15.67 113.303 175.722 -179.919 -103.679 -89.19 102.656 2.031 102.462 -60.319 -52.923 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -98.93 -40.57 8.01 Favored 'General case' 0 C--N 1.311 -1.094 0 O-C-N 120.906 -1.121 . . . . 23.44 112.535 175.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -149.1 153.85 38.38 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 119.177 0.899 . . . . 21.73 109.637 -175.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HE3' HD12 ' A' ' 15' ' ' LEU . 73.7 mmtt 52.07 56.82 7.21 Favored 'General case' 0 CA--C 1.503 -0.857 0 CA-C-O 124.85 2.262 . . . . 20.45 109.617 -178.966 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.6 m -96.5 158.27 15.51 Favored 'General case' 0 N--CA 1.43 -1.47 0 O-C-N 119.39 -2.068 . . . . 13.84 114.118 -172.886 -52.923 -60.319 -89.19 102.462 2.031 102.656 -103.679 -179.919 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 32.1 m0 -55.82 -40.89 73.43 Favored 'General case' 0 C--N 1.316 -0.884 0 O-C-N 124.522 1.139 . . . . 19.39 110.351 -178.379 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 85.8 p -70.95 -6.59 39.83 Favored 'General case' 0 C--O 1.261 1.694 0 N-CA-C 112.93 0.715 . . . . 25.31 112.93 -175.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.94 1.07 82.92 Favored Glycine 0 N--CA 1.412 -2.949 0 O-C-N 119.615 -1.928 . . . . 16.81 115.437 -178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -61.12 137.52 58.23 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 119.113 1.457 . . . . 15.48 108.53 178.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 63.0 mtp85 -64.79 147.33 53.4 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-O 122.08 0.943 . . . . 26.62 110.928 176.205 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 92.8 p -60.52 -28.2 68.22 Favored 'General case' 0 C--N 1.344 0.362 0 C-N-CA 119.796 -0.762 . . . . 23.41 112.792 177.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.6 p30 -88.39 -0.65 57.41 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 112.369 0.507 . . . . 23.44 112.369 179.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 66.52 11.06 7.83 Favored 'General case' 0 N--CA 1.444 -0.746 0 N-CA-C 114.384 1.253 . . . . 16.14 114.384 177.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -73.07 151.16 41.79 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 120.686 1.585 . . . . 37.75 110.164 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -148.05 -176.53 5.32 Favored 'General case' 0 C--O 1.257 1.474 0 N-CA-C 108.812 -0.81 . . . . 17.7 108.812 174.95 62.036 109.01 94.27 104.089 2.02 103.033 63.581 -179.781 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 95.39 -177.38 34.79 Favored Glycine 0 C--N 1.311 -0.835 0 CA-C-O 123.136 1.409 . . . . 21.47 110.778 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.27 -33.13 75.26 Favored 'General case' 0 C--O 1.249 1.03 0 N-CA-C 115.447 1.647 . . . . 29.51 115.447 -171.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.67 -23.87 66.89 Favored 'General case' 0 C--O 1.242 0.673 0 O-C-N 121.144 -0.972 . . . . 33.09 113.467 -176.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 m -116.48 22.57 5.77 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.218 0 CA-C-O 121.888 0.851 . . . . 28.71 111.027 179.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 78.59 31.36 45.56 Favored Glycine 0 N--CA 1.436 -1.308 0 N-CA-C 116.79 1.476 . . . . 23.95 116.79 173.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 49.5 57.33 18.12 Favored Pre-proline 0 N--CA 1.441 -0.909 0 N-CA-C 114.972 1.471 . . . . 29.8 114.972 176.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -73.13 163.01 39.31 Favored 'Trans proline' 0 C--N 1.314 -1.254 0 C-N-CA 121.644 1.562 . . . . 15.95 110.95 177.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_endo -74.79 173.31 14.63 Favored 'Trans proline' 0 N--CA 1.434 -2.005 0 C-N-CA 123.619 2.879 . . . . 14.56 113.539 175.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' CYS . . . . . . . . . . . . . 74.5 m -119.48 162.09 19.46 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 108.264 -1.013 . . . . 13.05 108.264 168.981 -58.758 -64.444 -80.527 103.452 2.042 104.115 -71.81 -70.076 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -72.34 -173.63 21.97 Favored Glycine 0 C--N 1.308 -1.013 0 O-C-N 123.772 0.67 . . . . 15.41 113.286 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -60.36 129.1 39.99 Favored 'General case' 0 N--CA 1.439 -0.997 0 O-C-N 121.56 -0.965 . . . . 30.08 113.269 -177.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.8 m-20 62.99 27.62 15.99 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 123.257 1.503 . . . . 33.16 112.673 177.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 68.4 mtp85 -124.26 150.85 44.88 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-N 114.876 -1.056 . . . . 19.33 109.999 175.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 13.5 m -129.86 160.65 32.88 Favored 'General case' 0 C--O 1.258 1.509 0 O-C-N 120.147 -1.596 . . . . 16.96 110.827 -177.537 -46.153 107.651 99.472 103.337 2.039 103.577 -71.734 -65.898 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 53.1 t -94.17 111.3 23.01 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 123.842 0.713 . . . . 15.86 110.143 177.962 -179.781 63.581 94.27 103.033 2.02 104.089 109.01 62.036 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.1 p -72.78 163.83 27.5 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 123.662 1.696 . . . . 17.06 111.074 -177.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.1 m -65.52 -12.92 14.55 Favored 'Isoleucine or valine' 0 C--N 1.372 1.576 0 CA-C-N 114.368 -1.287 . . . . 22.45 112.878 176.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -90.22 -5.77 56.0 Favored 'General case' 0 CA--C 1.517 -0.304 0 C-N-CA 120.009 -0.676 . . . . 24.79 112.387 178.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 95.95 29.59 8.48 Favored Glycine 0 C--O 1.255 1.466 0 CA-C-O 117.433 -1.76 . . . . 18.21 114.668 173.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' TRP . . . . . . . . . . . . . 74.9 m95 -134.21 144.18 48.3 Favored 'General case' 0 C--N 1.306 -1.315 0 CA-C-N 118.98 1.39 . . . . 23.67 110.34 177.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 92.4 m -81.08 147.15 30.25 Favored 'General case' 0 C--O 1.254 1.313 0 CA-C-O 118.333 -0.841 . . . . 15.28 109.517 173.351 -70.076 -71.81 -80.527 104.115 2.042 103.452 -64.444 -58.758 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.48 174.98 45.98 Favored Glycine 0 C--N 1.31 -0.907 0 N-CA-C 109.627 -1.389 . . . . 18.2 109.627 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.4 156.88 15.74 Favored Glycine 0 N--CA 1.471 1.008 0 C-N-CA 119.045 -1.55 . . . . 26.21 110.81 -179.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 97.63 176.75 34.03 Favored Glycine 0 C--O 1.224 -0.477 0 CA-C-O 122.96 1.311 . . . . 27.24 113.896 175.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.663 ' O ' ' HD2' ' A' ' 81' ' ' ASN . 25.9 t-20 -53.72 -38.93 64.81 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 115.433 1.642 . . . . 36.27 115.433 -175.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.779 ' HA ' ' HD3' ' A' ' 81' ' ' ASN . 0.1 OUTLIER -65.92 -19.67 65.95 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 113.828 1.047 . . . . 40.33 113.828 -176.561 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 89.6 m-85 -109.41 -29.51 8.4 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 112.305 0.483 . . . . 21.83 112.305 178.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 96.8 m -107.54 -15.08 14.69 Favored 'General case' 0 C--O 1.256 1.426 0 N-CA-C 117.603 2.445 . . . . 27.57 117.603 -166.397 -65.898 -71.734 99.472 103.577 2.039 103.337 107.651 -46.153 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . 0.467 ' OG ' ' ND2' ' A' ' 74' ' ' ASN . 50.5 m -91.74 152.44 20.18 Favored 'General case' 0 C--O 1.253 1.267 0 N-CA-C 114.677 1.362 . . . . 38.49 114.677 -172.985 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' GLY . . . . . 1.322 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . -33.3 126.0 0.36 Allowed Glycine 0 N--CA 1.42 -2.373 0 C-N-CA 125.673 1.606 . . . . 33.24 117.055 -179.169 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLY . . . . . 1.322 ' N ' ' O ' ' A' ' 79' ' ' GLY 0.367 . . . . . . . 1 C--N 1.132 -10.768 3 O-C-N 96.948 -15.442 . . . . 31.9 111.764 148.644 . . . . . . . . 4 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 19.6 p . . . . . 0 N--CA 1.441 -0.903 0 N-CA-C 114.012 1.116 . . . . 33.96 114.012 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.779 ' HD3' ' HA ' ' A' ' 75' ' ' ASP . 81.0 m-20 . . . . . 1 C--N 1.242 -4.075 0 O-C-N 118.576 -2.577 . . . . 30.49 111.42 176.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 85.8 mttt . . . . . 0 N--CA 1.467 0.414 0 N-CA-C 110.02 -0.363 . . . . 35.39 110.02 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' CYS . . . . . . . . . . . . . 42.2 t -118.52 136.48 53.81 Favored 'General case' 0 C--O 1.247 0.972 0 O-C-N 119.508 -1.995 . . . . 22.87 114.244 -167.436 -176.562 -107.402 -94.588 104.798 2.02 103.768 -60.29 -53.723 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . 0.252 22.1 pt20 -99.02 -38.07 9.11 Favored 'General case' 0 N--CA 1.439 -0.989 0 O-C-N 120.924 -1.11 . . . . 26.53 113.602 178.402 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' TYR . . . . . 0.611 ' CD2' HD12 ' A' ' 15' ' ' LEU . 15.7 p90 -157.04 164.53 37.86 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 122.954 1.359 . . . . 17.66 111.159 176.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 48.1 mtp85 53.44 47.14 24.78 Favored 'General case' 0 N--CA 1.441 -0.914 0 CA-C-O 123.72 1.724 . . . . 18.52 111.856 -174.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 56.0 m . . . . . 0 C--O 1.25 1.098 0 CA-C-N 113.734 -1.576 . . . . 25.66 115.14 -173.61 -53.723 -60.29 -94.588 103.768 2.02 104.798 -107.402 -176.562 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' NAG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . 0.54 ' O ' ' HB1' ' A' ' 14' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . 0.73 ' O ' ' HB3' ' A' ' 10' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . 0.616 ' O ' ' HZ3' ' A' ' 16' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 169' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_