data_1crg_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 1crg _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 ' -5' ' ' THR . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 107.112 -1.44 . . . . 59.72 107.112 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -160.11 28.55 0.17 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 126.605 2.44 . . . . 57.25 110.147 -177.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -155.73 116.1 3.76 Favored 'General case' 0 CA--C 1.572 1.807 1 C-N-CA 132.425 4.29 . . . . 48.0 107.017 -179.707 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' LYS . . . . . . . . . . . . . 8.4 mtmm -119.86 155.13 33.24 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 127.58 3.05 . . . . 41.93 105.111 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -61.09 137.24 58.24 Favored 'General case' 0 C--N 1.283 -2.32 0 C-N-CA 129.51 3.124 . . . . 35.67 116.185 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -117.49 -154.82 9.99 Favored Glycine 0 C--O 1.255 1.453 0 CA-C-O 126.147 3.082 . . . . 30.57 114.156 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.1 t -92.51 117.6 30.11 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 111.925 -2.138 . . . . 22.72 109.745 179.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.92 78.02 Favored 'General case' 0 C--N 1.343 0.307 0 O-C-N 125.355 1.659 . . . . 22.79 108.262 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -61.88 -52.33 64.56 Favored 'General case' 0 C--N 1.286 -2.171 0 C-N-CA 125.718 1.607 . . . . 30.12 108.349 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.93 -40.03 87.51 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 126.57 3.081 . . . . 53.41 109.622 176.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.57 -47.88 85.18 Favored Glycine 0 C--O 1.27 2.4 0 CA-C-N 112.169 -2.287 . . . . 18.94 113.348 178.385 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.84 -30.3 71.4 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 128.538 2.735 . . . . 15.1 114.403 -179.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.306 71.4 p -84.18 -28.16 27.55 Favored 'General case' 0 C--O 1.255 1.342 0 C-N-CA 128.633 2.773 . . . . 19.68 113.755 -179.109 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -44.28 62.04 Favored 'General case' 0 C--O 1.268 2.029 0 CA-C-O 124.961 2.315 . . . . 23.66 104.957 176.981 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . 0.276 47.5 t80 -54.07 -51.3 64.56 Favored 'General case' 0 CA--C 1.549 0.917 1 CA-C-O 130.495 4.95 . . . . 11.62 109.274 179.54 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -58.11 -48.65 79.55 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 116.303 -3.998 . . . . 25.47 111.22 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 p -79.84 -24.24 41.44 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 118.877 -2.39 . . . . 22.83 115.377 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -121.97 -10.42 8.64 Favored 'General case' 0 C--O 1.275 2.437 0 CA-C-N 125.326 3.694 . . . . 44.72 118.843 -177.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.8 m -125.3 -28.64 3.35 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 112.788 -3.482 . . . . 9.79 112.486 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . 0.293 25.9 tp -55.19 -37.52 67.17 Favored 'General case' 0 C--N 1.282 -2.329 0 C-N-CA 128.908 2.883 . . . . 16.87 116.883 -173.259 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.259 56.8 tt0 -46.8 -38.85 10.8 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.103 -1.862 . . . . 19.13 110.371 174.468 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.0 m -116.88 -16.79 10.55 Favored 'General case' 0 C--O 1.283 2.858 0 N-CA-C 117.167 2.284 . . . . 11.86 117.167 -176.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -136.22 157.46 46.75 Favored 'General case' 0 N--CA 1.507 2.424 1 CA-C-O 129.6 4.524 . . . . 13.1 115.927 -177.187 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . 0.461 ' OG1' ' ND2' ' A' ' 31' ' ' ASN . 61.8 p -118.36 160.94 20.78 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 117.975 -2.953 . . . . 14.2 106.497 176.492 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -123.03 -13.47 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 C-N-CA 114.744 -2.782 . . . . 13.17 111.717 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.34 146.74 42.83 Favored 'General case' 0 C--O 1.196 -1.722 0 CA-C-N 112.64 -2.073 . . . . 38.08 113.836 -175.317 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 116.54 6.45 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 106.405 -1.702 . . . . 29.06 106.405 179.074 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.86 1.84 58.52 Favored Glycine 1 N--CA 1.53 4.966 1 C-N-CA 111.268 -5.253 . . . . 22.86 112.794 -177.45 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.54 147.25 25.29 Favored Glycine 0 CA--C 1.557 2.705 0 N-CA-C 104.56 -3.416 . . . . 17.97 104.56 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -78.47 158.37 29.05 Favored 'Trans proline' 0 C--N 1.297 -2.148 0 CA-C-N 112.548 -1.826 . . . . 11.95 115.922 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . 0.418 ' ND1' ' N ' ' A' ' 31' ' ' ASN . 26.8 m-70 -78.42 140.01 38.7 Favored 'General case' 0 C--O 1.271 2.2 0 CA-C-O 114.535 -2.65 . . . . 16.84 104.487 172.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -121.1 -125.04 0.27 Allowed 'General case' 0 C--O 1.264 1.833 0 N-CA-C 105.391 -2.077 . . . . 17.85 105.391 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.9 t -60.8 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--N 1.371 1.502 0 O-C-N 127.99 3.306 . . . . 10.18 107.857 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.73 165.03 15.33 Favored Glycine 0 CA--C 1.55 2.253 0 N-CA-C 105.461 -3.056 . . . . 11.33 105.461 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -71.88 167.3 27.0 Favored 'Trans proline' 0 C--O 1.249 1.049 0 C-N-CA 121.907 1.738 . . . . 13.6 111.513 -176.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ASN . . . . . 0.461 ' ND2' ' OG1' ' A' ' 19' ' ' THR . 20.7 t-20 -70.5 136.51 49.47 Favored 'General case' 0 N--CA 1.493 1.684 2 CA-C-O 111.465 -4.112 . . . . 16.02 106.555 176.324 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.262 7.0 mt -97.05 5.25 50.7 Favored 'General case' 0 C--O 1.282 2.809 0 O-C-N 126.658 2.474 . . . . 13.44 114.119 -176.651 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . 0.288 22.9 t60 -50.4 134.82 23.02 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 121.196 1.816 . . . . 29.39 108.222 176.941 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.23 19.05 59.08 Favored Glycine 0 C--N 1.345 1.067 1 CA-C-O 112.718 -4.379 . . . . 19.42 113.268 179.493 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 tp -57.1 -33.19 42.2 Favored 'Isoleucine or valine' 0 C--O 1.27 2.182 1 CA-C-N 125.49 4.645 . . . . 16.79 117.347 177.174 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.339 43.2 m-85 -64.41 126.23 27.15 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 119.19 -2.194 . . . . 32.47 109.596 -176.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 89.62 -19.66 39.44 Favored Glycine 0 CA--C 1.492 -1.362 0 N-CA-C 117.323 1.689 . . . . 24.49 117.323 -178.468 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -77.07 158.02 30.75 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 118.333 -2.863 . . . . 28.69 108.642 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -87.34 171.32 10.68 Favored 'General case' 0 C--O 1.286 3.001 0 N-CA-C 103.265 -2.865 . . . . 22.75 103.265 175.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.7 p -77.27 141.71 39.83 Favored 'General case' 0 C--N 1.277 -2.545 0 C-N-CA 127.637 2.375 . . . . 16.69 110.999 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.39 46.38 33.64 Favored Glycine 0 C--N 1.281 -2.51 1 CA-C-O 113.381 -4.011 . . . . 18.36 112.857 179.726 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.0 5.7 4.97 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-N 122.922 3.361 . . . . 29.09 118.756 -176.704 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.82 139.56 56.58 Favored 'General case' 0 C--O 1.271 2.198 0 N-CA-C 105.506 -2.035 . . . . 20.44 105.506 178.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.301 9.0 pt-20 -87.52 153.63 21.26 Favored 'General case' 0 N--CA 1.5 2.071 1 C-N-CA 107.355 -5.738 . . . . 37.27 112.718 177.669 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.88 9.6 82.42 Favored Glycine 0 C--N 1.377 2.831 0 CA-C-N 112.022 -2.353 . . . . 16.3 111.922 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . 0.258 37.6 t80 -117.58 133.56 55.82 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 127.896 3.712 . . . . 12.36 110.637 177.27 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' SER . . . . . 0.452 ' O ' ' NZ ' ' A' ' 79' ' ' LYS 0.285 11.0 t -89.13 83.07 6.52 Favored 'General case' 0 C--O 1.262 1.73 0 CA-C-N 109.798 -3.364 . . . . 15.49 110.633 179.759 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -81.52 160.56 23.88 Favored 'General case' 0 N--CA 1.497 1.901 1 O-C-N 115.88 -4.262 . . . . 19.69 110.216 179.557 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -71.64 161.16 31.43 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 130.422 3.489 . . . . 18.48 105.653 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -59.9 -44.53 94.2 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 128.27 3.481 . . . . 30.9 109.547 -178.776 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.19 -50.25 50.0 Favored 'General case' 0 C--O 1.27 2.14 1 C-N-CA 132.644 4.378 . . . . 22.08 117.162 -177.37 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . 0.26 12.4 tt -69.28 -42.46 81.4 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 CA-C-O 125.713 2.673 . . . . 21.0 111.826 178.123 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.06 -47.33 83.84 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 O-C-N 118.3 -2.75 . . . . 24.35 112.645 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -71.48 -28.32 63.85 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 127.925 3.266 . . . . 44.56 111.948 -174.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -67.84 -32.27 72.68 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-N 113.223 -1.808 . . . . 38.62 107.209 -179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 33.49 69.12 0.14 Allowed 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 126.902 2.081 . . . . 33.39 115.178 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 75.0 t -91.04 138.76 18.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 1 C-N-CA 131.73 4.012 . . . . 32.73 105.991 -179.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -99.96 117.94 35.31 Favored 'General case' 0 N--CA 1.483 1.215 1 O-C-N 134.848 7.593 . . . . 31.12 102.08 176.012 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -80.55 107.94 13.78 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 124.497 2.094 . . . . 29.19 111.964 -173.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 12.8 p30 -125.58 165.27 18.83 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 103.001 -2.963 . . . . 38.21 103.001 178.307 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -26.28 62.27 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 126.01 1.724 . . . . 61.0 111.075 178.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 1.2 m-20 -83.31 -34.42 25.7 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 118.879 2.918 . . . . 43.19 118.879 -178.843 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . 0.462 ' OD1' ' OH ' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -70.73 -50.58 34.73 Favored 'General case' 0 C--N 1.278 -2.542 1 C-N-CA 133.143 4.577 . . . . 36.98 110.564 179.03 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 28.3 tpp -55.83 -39.62 71.64 Favored 'General case' 0 C--N 1.3 -1.574 1 CA-C-N 108.113 -4.13 . . . . 25.47 107.251 175.885 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 t -64.84 -49.61 69.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 125.821 1.951 . . . . 19.83 112.251 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 62' ' ' ASN . 1.3 mp0 -65.41 -42.06 92.93 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 106.769 -1.567 . . . . 51.87 106.769 177.694 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -56.08 -48.3 76.37 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 115.125 -2.63 . . . . 19.12 112.458 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.293 18.6 mt -59.78 -27.23 66.37 Favored 'General case' 0 CA--C 1.483 -1.615 0 CA-C-N 112.937 -1.938 . . . . 18.29 114.821 -176.725 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 m -59.71 -44.6 93.63 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 124.605 1.162 . . . . 19.83 113.333 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -174.84 90.91 0.31 Allowed Pre-proline 0 C--O 1.261 1.688 0 C-N-CA 128.708 2.803 . . . . 29.32 108.404 -174.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . 0.261 28.0 Cg_exo -54.28 -56.98 2.06 Favored 'Trans proline' 0 C--O 1.274 2.318 1 O-C-N 130.431 4.911 . . . . 17.18 116.605 179.375 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' M3L . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.163 0 CA-C-N 120.527 1.512 . . . . 23.04 110.367 178.711 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . 0.316 5.2 tmtt? -62.41 -54.2 43.7 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 104.233 -2.506 . . . . 33.83 104.233 177.548 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' TYR . . . . . 0.462 ' OH ' ' OD1' ' A' ' 63' ' ' ASN . 43.5 t80 -56.89 -48.57 77.87 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 118.393 2.738 . . . . 31.33 118.393 179.543 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.8 mt -127.85 77.8 75.91 Favored Pre-proline 0 C--N 1.304 -1.374 0 C-N-CA 126.117 1.767 . . . . 22.79 109.013 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -51.69 132.83 42.74 Favored 'Trans proline' 0 N--CA 1.439 -1.678 0 N-CA-C 107.917 -1.609 . . . . 19.32 107.917 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.61 -4.45 56.56 Favored Glycine 0 C--N 1.309 -0.951 0 N-CA-C 114.76 0.664 . . . . 16.68 114.76 179.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -66.99 135.45 53.77 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 123.571 1.653 . . . . 16.55 108.988 177.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' NZ ' ' O ' ' A' ' 47' ' ' SER 0.256 4.5 pttt -79.47 -0.74 34.41 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 116.912 -1.518 . . . . 18.22 107.098 177.661 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.6 ttt -68.49 106.15 2.45 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.717 1.599 . . . . 15.89 108.0 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . 0.267 . . -88.99 60.45 5.46 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-O 123.568 1.652 . . . . 20.64 114.132 179.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -122.01 126.88 49.51 Favored 'General case' 0 C--N 1.284 -2.257 0 O-C-N 117.021 -3.55 . . . . 23.54 106.433 177.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.97 -53.26 46.84 Favored Glycine 0 C--O 1.266 2.095 0 N-CA-C 109.263 -1.535 . . . . 31.37 109.263 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 137.44 178.07 15.64 Favored Glycine 0 C--N 1.347 1.148 0 C-N-CA 120.367 -0.92 . . . . 23.93 112.085 178.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.6 mt -115.64 99.62 7.46 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 125.747 1.619 . . . . 17.24 110.089 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.6 mtmm -71.94 -32.01 66.9 Favored 'General case' 0 C--O 1.269 2.129 0 CA-C-O 115.963 -1.97 . . . . 36.77 115.652 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -76.63 122.95 25.38 Favored 'General case' 0 C--O 1.248 0.985 0 O-C-N 125.654 1.846 . . . . 33.84 111.94 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.47 -34.87 71.34 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 125.184 2.421 . . . . 25.39 110.403 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -41.78 90.56 Favored 'General case' 0 C--N 1.289 -2.039 1 O-C-N 112.952 -6.093 . . . . 38.29 109.952 -179.507 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.07 -43.17 99.28 Favored 'General case' 0 N--CA 1.515 2.809 0 CA-C-N 123.332 2.787 . . . . 24.39 113.784 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -57.23 -44.04 83.42 Favored 'General case' 0 C--O 1.273 2.324 0 C-N-CA 130.007 3.323 . . . . 28.2 108.191 176.753 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -68.19 -48.5 65.08 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 125.663 1.852 . . . . 17.99 111.138 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.51 -46.67 88.98 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 127.531 3.019 . . . . 15.62 109.404 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.315 28.2 tp -59.51 -44.07 93.23 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 122.707 2.503 . . . . 10.7 113.178 -175.272 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.11 -33.35 62.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 C-N-CA 127.373 2.269 . . . . 18.01 110.053 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 m -62.98 -45.35 92.85 Favored 'General case' 0 C--O 1.254 1.321 0 N-CA-C 103.801 -2.666 . . . . 20.06 103.801 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 52.4 t80 -62.63 -47.54 83.3 Favored 'General case' 0 C--O 1.263 1.782 0 CA-C-O 126.021 2.819 . . . . 18.21 113.356 -179.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.287 43.5 mt -61.34 -52.63 63.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 114.511 -2.662 . . . . 22.74 111.314 -175.9 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -45.21 -39.03 5.88 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 126.06 2.838 . . . . 29.9 109.795 174.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -83.04 -54.33 5.14 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 118.575 -2.578 . . . . 35.37 115.868 -178.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.99 -24.82 59.65 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-O 115.204 -2.331 . . . . 19.45 115.411 -179.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.8 p -90.39 8.67 32.41 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 121.756 2.071 . . . . 22.87 115.816 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.307 -1.26 0 C-N-CA 128.56 2.744 . . . . 39.91 115.019 -178.355 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' 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 ' 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 ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' 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 ' 164' ' ' 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 ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -5' ' ' THR . . . . . 0.655 ' O ' ' HG3' ' A' ' -4' ' ' GLU . 5.7 t . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 107.112 -1.44 . . . . 59.72 107.112 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' A' ' -5' ' ' THR . 2.9 mt-10 -160.11 28.55 0.17 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 126.605 2.44 . . . . 57.25 110.147 -177.439 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -155.73 116.1 3.76 Favored 'General case' 0 CA--C 1.572 1.807 1 C-N-CA 132.425 4.29 . . . . 48.0 107.017 -179.707 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -2' ' ' LYS . . . . . 0.59 ' HE2' ' O ' ' A' ' 221' ' ' HOH . 8.4 mtmm -119.86 155.13 33.24 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 127.58 3.05 . . . . 41.93 105.111 176.278 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -61.09 137.24 58.24 Favored 'General case' 0 C--N 1.283 -2.32 0 C-N-CA 129.51 3.124 . . . . 35.67 116.185 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -117.49 -154.82 9.99 Favored Glycine 0 C--O 1.255 1.453 0 CA-C-O 126.147 3.082 . . . . 30.57 114.156 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . 0.73 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 42.1 t -92.51 117.6 30.11 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 111.925 -2.138 . . . . 22.72 109.745 179.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.92 78.02 Favored 'General case' 0 C--N 1.343 0.307 0 O-C-N 125.355 1.659 . . . . 22.79 108.262 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -61.88 -52.33 64.56 Favored 'General case' 0 C--N 1.286 -2.171 0 C-N-CA 125.718 1.607 . . . . 30.12 108.349 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' LYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 2' ' ' SER . 0.5 OUTLIER -59.93 -40.03 87.51 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 126.57 3.081 . . . . 53.41 109.622 176.98 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' HA3' ' HB2' ' A' ' 97' ' ' TYR . . . -57.57 -47.88 85.18 Favored Glycine 0 C--O 1.27 2.4 0 CA-C-N 112.169 -2.287 . . . . 18.94 113.348 178.385 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . 0.527 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . . . -63.84 -30.3 71.4 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 128.538 2.735 . . . . 15.1 114.403 -179.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.306 71.4 p -84.18 -28.16 27.55 Favored 'General case' 0 C--O 1.255 1.342 0 C-N-CA 128.633 2.773 . . . . 19.68 113.755 -179.109 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -44.28 62.04 Favored 'General case' 0 C--O 1.268 2.029 0 CA-C-O 124.961 2.315 . . . . 23.66 104.957 176.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 14' ' ' CYS 0.276 47.5 t80 -54.07 -51.3 64.56 Favored 'General case' 0 CA--C 1.549 0.917 1 CA-C-O 130.495 4.95 . . . . 11.62 109.274 179.54 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -58.11 -48.65 79.55 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 116.303 -3.998 . . . . 25.47 111.22 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 p -79.84 -24.24 41.44 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 118.877 -2.39 . . . . 22.83 115.377 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -121.97 -10.42 8.64 Favored 'General case' 0 C--O 1.275 2.437 0 CA-C-N 125.326 3.694 . . . . 44.72 118.843 -177.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 3.8 m -125.3 -28.64 3.35 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 112.788 -3.482 . . . . 9.79 112.486 -179.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . 0.293 25.9 tp -55.19 -37.52 67.17 Favored 'General case' 0 C--N 1.282 -2.329 0 C-N-CA 128.908 2.883 . . . . 16.87 116.883 -173.259 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.259 56.8 tt0 -46.8 -38.85 10.8 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.103 -1.862 . . . . 19.13 110.371 174.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.0 m -116.88 -16.79 10.55 Favored 'General case' 0 C--O 1.283 2.858 0 N-CA-C 117.167 2.284 . . . . 11.86 117.167 -176.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -136.22 157.46 46.75 Favored 'General case' 0 N--CA 1.507 2.424 1 CA-C-O 129.6 4.524 . . . . 13.1 115.927 -177.187 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.8 p -118.36 160.94 20.78 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 117.975 -2.953 . . . . 14.2 106.497 176.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -123.03 -13.47 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 C-N-CA 114.744 -2.782 . . . . 13.17 111.717 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.34 146.74 42.83 Favored 'General case' 0 C--O 1.196 -1.722 0 CA-C-N 112.64 -2.073 . . . . 38.08 113.836 -175.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 116.54 6.45 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 106.405 -1.702 . . . . 29.06 106.405 179.074 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.86 1.84 58.52 Favored Glycine 1 N--CA 1.53 4.966 1 C-N-CA 111.268 -5.253 . . . . 22.86 112.794 -177.45 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.54 147.25 25.29 Favored Glycine 0 CA--C 1.557 2.705 0 N-CA-C 104.56 -3.416 . . . . 17.97 104.56 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -78.47 158.37 29.05 Favored 'Trans proline' 0 C--N 1.297 -2.148 0 CA-C-N 112.548 -1.826 . . . . 11.95 115.922 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -78.42 140.01 38.7 Favored 'General case' 0 C--O 1.271 2.2 0 CA-C-O 114.535 -2.65 . . . . 16.84 104.487 172.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -121.1 -125.04 0.27 Allowed 'General case' 0 C--O 1.264 1.833 0 N-CA-C 105.391 -2.077 . . . . 17.85 105.391 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.9 t -60.8 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--N 1.371 1.502 0 O-C-N 127.99 3.306 . . . . 10.18 107.857 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.73 165.03 15.33 Favored Glycine 0 CA--C 1.55 2.253 0 N-CA-C 105.461 -3.056 . . . . 11.33 105.461 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -71.88 167.3 27.0 Favored 'Trans proline' 0 C--O 1.249 1.049 0 C-N-CA 121.907 1.738 . . . . 13.6 111.513 -176.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -70.5 136.51 49.47 Favored 'General case' 0 N--CA 1.493 1.684 2 CA-C-O 111.465 -4.112 . . . . 16.02 106.555 176.324 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.262 7.0 mt -97.05 5.25 50.7 Favored 'General case' 0 C--O 1.282 2.809 0 O-C-N 126.658 2.474 . . . . 13.44 114.119 -176.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . 0.288 22.9 t60 -50.4 134.82 23.02 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 121.196 1.816 . . . . 29.39 108.222 176.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.23 19.05 59.08 Favored Glycine 0 C--N 1.345 1.067 1 CA-C-O 112.718 -4.379 . . . . 19.42 113.268 179.493 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 tp -57.1 -33.19 42.2 Favored 'Isoleucine or valine' 0 C--O 1.27 2.182 1 CA-C-N 125.49 4.645 . . . . 16.79 117.347 177.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.339 43.2 m-85 -64.41 126.23 27.15 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 119.19 -2.194 . . . . 32.47 109.596 -176.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' HD21 ' A' ' 58' ' ' LEU . . . 89.62 -19.66 39.44 Favored Glycine 0 CA--C 1.492 -1.362 0 N-CA-C 117.323 1.689 . . . . 24.49 117.323 -178.468 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -77.07 158.02 30.75 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 118.333 -2.863 . . . . 28.69 108.642 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HIS . . . . . 0.464 ' CE1' HD23 ' A' ' 58' ' ' LEU . 49.9 m80 -87.34 171.32 10.68 Favored 'General case' 0 C--O 1.286 3.001 0 N-CA-C 103.265 -2.865 . . . . 22.75 103.265 175.854 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.7 p -77.27 141.71 39.83 Favored 'General case' 0 C--N 1.277 -2.545 0 C-N-CA 127.637 2.375 . . . . 16.69 110.999 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' A' ' 42' ' ' GLN . . . 72.39 46.38 33.64 Favored Glycine 0 C--N 1.281 -2.51 1 CA-C-O 113.381 -4.011 . . . . 18.36 112.857 179.726 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLN . . . . . 0.477 ' HG2' ' C ' ' A' ' 41' ' ' GLY . 4.3 mm-40 -130.0 5.7 4.97 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-N 122.922 3.361 . . . . 29.09 118.756 -176.704 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.82 139.56 56.58 Favored 'General case' 0 C--O 1.271 2.198 0 N-CA-C 105.506 -2.035 . . . . 20.44 105.506 178.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.301 9.0 pt-20 -87.52 153.63 21.26 Favored 'General case' 0 N--CA 1.5 2.071 1 C-N-CA 107.355 -5.738 . . . . 37.27 112.718 177.669 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.88 9.6 82.42 Favored Glycine 0 C--N 1.377 2.831 0 CA-C-N 112.022 -2.353 . . . . 16.3 111.922 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . 0.258 37.6 t80 -117.58 133.56 55.82 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 127.896 3.712 . . . . 12.36 110.637 177.27 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . 0.285 11.0 t -89.13 83.07 6.52 Favored 'General case' 0 C--O 1.262 1.73 0 CA-C-N 109.798 -3.364 . . . . 15.49 110.633 179.759 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' TYR . . . . . 0.465 ' CE1' ' HA2' ' A' ' 41' ' ' GLY . 85.6 m-85 -81.52 160.56 23.88 Favored 'General case' 0 N--CA 1.497 1.901 1 O-C-N 115.88 -4.262 . . . . 19.69 110.216 179.557 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -71.64 161.16 31.43 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 130.422 3.489 . . . . 18.48 105.653 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 65.8 m-20 -59.9 -44.53 94.2 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 128.27 3.481 . . . . 30.9 109.547 -178.776 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.19 -50.25 50.0 Favored 'General case' 0 C--O 1.27 2.14 1 C-N-CA 132.644 4.378 . . . . 22.08 117.162 -177.37 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . 0.26 12.4 tt -69.28 -42.46 81.4 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 CA-C-O 125.713 2.673 . . . . 21.0 111.826 178.123 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.06 -47.33 83.84 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 O-C-N 118.3 -2.75 . . . . 24.35 112.645 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 50' ' ' ASP . 1.9 tptm -71.48 -28.32 63.85 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 127.925 3.266 . . . . 44.56 111.948 -174.96 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . 0.912 ' HG3' HG23 ' A' ' 57' ' ' VAL . 16.7 tptt -67.84 -32.27 72.68 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-N 113.223 -1.808 . . . . 38.62 107.209 -179.669 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 36.0 t30 33.49 69.12 0.14 Allowed 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 126.902 2.081 . . . . 33.39 115.178 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . 0.912 HG23 ' HG3' ' A' ' 55' ' ' LYS . 75.0 t -91.04 138.76 18.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 1 C-N-CA 131.73 4.012 . . . . 32.73 105.991 -179.878 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 39' ' ' HIS . 1.7 tm? -99.96 117.94 35.31 Favored 'General case' 0 N--CA 1.483 1.215 1 O-C-N 134.848 7.593 . . . . 31.12 102.08 176.012 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -80.55 107.94 13.78 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 124.497 2.094 . . . . 29.19 111.964 -173.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 12.8 p30 -125.58 165.27 18.83 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 103.001 -2.963 . . . . 38.21 103.001 178.307 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -26.28 62.27 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 126.01 1.724 . . . . 61.0 111.075 178.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 1.2 m-20 -83.31 -34.42 25.7 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 118.879 2.918 . . . . 43.19 118.879 -178.843 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' OD1' ' OH ' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -70.73 -50.58 34.73 Favored 'General case' 0 C--N 1.278 -2.542 1 C-N-CA 133.143 4.577 . . . . 36.98 110.564 179.03 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 28.3 tpp -55.83 -39.62 71.64 Favored 'General case' 0 C--N 1.3 -1.574 1 CA-C-N 108.113 -4.13 . . . . 25.47 107.251 175.885 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 t -64.84 -49.61 69.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 125.821 1.951 . . . . 19.83 112.251 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 62' ' ' ASN . 1.3 mp0 -65.41 -42.06 92.93 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 106.769 -1.567 . . . . 51.87 106.769 177.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -56.08 -48.3 76.37 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 115.125 -2.63 . . . . 19.12 112.458 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.293 18.6 mt -59.78 -27.23 66.37 Favored 'General case' 0 CA--C 1.483 -1.615 0 CA-C-N 112.937 -1.938 . . . . 18.29 114.821 -176.725 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 m -59.71 -44.6 93.63 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 124.605 1.162 . . . . 19.83 113.333 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -174.84 90.91 0.31 Allowed Pre-proline 0 C--O 1.261 1.688 0 C-N-CA 128.708 2.803 . . . . 29.32 108.404 -174.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . 0.261 28.0 Cg_exo -54.28 -56.98 2.06 Favored 'Trans proline' 0 C--O 1.274 2.318 1 O-C-N 130.431 4.911 . . . . 17.18 116.605 179.375 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' M3L . . . . . 0.41 HM32 ' HD3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.482 1.163 0 CA-C-N 120.527 1.512 . . . . 23.04 110.367 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . 0.316 5.2 tmtt? -62.41 -54.2 43.7 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 104.233 -2.506 . . . . 33.83 104.233 177.548 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' OH ' ' OD1' ' A' ' 63' ' ' ASN . 43.5 t80 -56.89 -48.57 77.87 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 118.393 2.738 . . . . 31.33 118.393 179.543 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.8 mt -127.85 77.8 75.91 Favored Pre-proline 0 C--N 1.304 -1.374 0 C-N-CA 126.117 1.767 . . . . 22.79 109.013 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -51.69 132.83 42.74 Favored 'Trans proline' 0 N--CA 1.439 -1.678 0 N-CA-C 107.917 -1.609 . . . . 19.32 107.917 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.61 -4.45 56.56 Favored Glycine 0 C--N 1.309 -0.951 0 N-CA-C 114.76 0.664 . . . . 16.68 114.76 179.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -66.99 135.45 53.77 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 123.571 1.653 . . . . 16.55 108.988 177.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.256 4.5 pttt -79.47 -0.74 34.41 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 116.912 -1.518 . . . . 18.22 107.098 177.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.6 ttt -68.49 106.15 2.45 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.717 1.599 . . . . 15.89 108.0 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . 0.267 . . -88.99 60.45 5.46 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-O 123.568 1.652 . . . . 20.64 114.132 179.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 18.7 t80 -122.01 126.88 49.51 Favored 'General case' 0 C--N 1.284 -2.257 0 O-C-N 117.021 -3.55 . . . . 23.54 106.433 177.51 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.97 -53.26 46.84 Favored Glycine 0 C--O 1.266 2.095 0 N-CA-C 109.263 -1.535 . . . . 31.37 109.263 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLY . . . . . 0.685 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . 137.44 178.07 15.64 Favored Glycine 0 C--N 1.347 1.148 0 C-N-CA 120.367 -0.92 . . . . 23.93 112.085 178.048 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . 0.576 ' HG ' ' HZ ' ' A' ' 82' ' ' PHE . 14.6 mt -115.64 99.62 7.46 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 125.747 1.619 . . . . 17.24 110.089 179.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 86' ' ' LYS . 3.6 mtmm -71.94 -32.01 66.9 Favored 'General case' 0 C--O 1.269 2.129 0 CA-C-O 115.963 -1.97 . . . . 36.77 115.652 -177.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -76.63 122.95 25.38 Favored 'General case' 0 C--O 1.248 0.985 0 O-C-N 125.654 1.846 . . . . 33.84 111.94 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.47 -34.87 71.34 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 125.184 2.421 . . . . 25.39 110.403 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -41.78 90.56 Favored 'General case' 0 C--N 1.289 -2.039 1 O-C-N 112.952 -6.093 . . . . 38.29 109.952 -179.507 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.07 -43.17 99.28 Favored 'General case' 0 N--CA 1.515 2.809 0 CA-C-N 123.332 2.787 . . . . 24.39 113.784 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -57.23 -44.04 83.42 Favored 'General case' 0 C--O 1.273 2.324 0 C-N-CA 130.007 3.323 . . . . 28.2 108.191 176.753 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -68.19 -48.5 65.08 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 125.663 1.852 . . . . 17.99 111.138 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.51 -46.67 88.98 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 127.531 3.019 . . . . 15.62 109.404 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.315 28.2 tp -59.51 -44.07 93.23 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 122.707 2.503 . . . . 10.7 113.178 -175.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.11 -33.35 62.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 C-N-CA 127.373 2.269 . . . . 18.01 110.053 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 m -62.98 -45.35 92.85 Favored 'General case' 0 C--O 1.254 1.321 0 N-CA-C 103.801 -2.666 . . . . 20.06 103.801 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' TYR . . . . . 0.527 ' CD1' ' HB2' ' A' ' 7' ' ' ALA . 52.4 t80 -62.63 -47.54 83.3 Favored 'General case' 0 C--O 1.263 1.782 0 CA-C-O 126.021 2.819 . . . . 18.21 113.356 -179.894 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.287 43.5 mt -61.34 -52.63 63.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 114.511 -2.662 . . . . 22.74 111.314 -175.9 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -45.21 -39.03 5.88 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 126.06 2.838 . . . . 29.9 109.795 174.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -83.04 -54.33 5.14 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 118.575 -2.578 . . . . 35.37 115.868 -178.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.99 -24.82 59.65 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-O 115.204 -2.331 . . . . 19.45 115.411 -179.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.8 p -90.39 8.67 32.41 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 121.756 2.071 . . . . 22.87 115.816 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.307 -1.26 0 C-N-CA 128.56 2.744 . . . . 39.91 115.019 -178.355 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' 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 ' 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 ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' 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 ' 164' ' ' 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 ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . 0.59 ' O ' ' HE2' ' A' ' -2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' THR . . . . . 0.655 ' O ' ' HG3' ' A' ' -4' ' ' GLU . 5.7 t . . . . . 0 N--CA 1.488 1.463 0 N-CA-C 107.112 -1.44 . . . . 59.72 107.112 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' GLU . . . . . 0.655 ' HG3' ' O ' ' A' ' -5' ' ' THR . 2.9 mt-10 -160.11 28.55 0.17 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 126.605 2.44 . . . . 57.25 110.147 -177.439 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -155.73 116.1 3.76 Favored 'General case' 0 CA--C 1.572 1.807 1 C-N-CA 132.425 4.29 . . . . 48.0 107.017 -179.707 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' LYS . . . . . 0.59 ' HE2' ' O ' ' A' ' 221' ' ' HOH . 8.4 mtmm -119.86 155.13 33.24 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 127.58 3.05 . . . . 41.93 105.111 176.278 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' ALA . . . . . . . . . . . . . . . -61.09 137.24 58.24 Favored 'General case' 0 C--N 1.283 -2.32 0 C-N-CA 129.51 3.124 . . . . 35.67 116.185 179.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . -117.49 -154.82 9.99 Favored Glycine 0 C--O 1.255 1.453 0 CA-C-O 126.147 3.082 . . . . 30.57 114.156 -179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . 0.73 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 42.1 t -92.51 117.6 30.11 Favored 'General case' 0 N--CA 1.436 -1.166 0 CA-C-N 111.925 -2.138 . . . . 22.72 109.745 179.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.3 -37.92 78.02 Favored 'General case' 0 C--N 1.343 0.307 0 O-C-N 125.355 1.659 . . . . 22.79 108.262 176.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 11.0 mttt -61.88 -52.33 64.56 Favored 'General case' 0 C--N 1.286 -2.171 0 C-N-CA 125.718 1.607 . . . . 30.12 108.349 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.73 ' HB2' ' HB3' ' A' ' 2' ' ' SER . 0.5 OUTLIER -59.93 -40.03 87.51 Favored 'General case' 0 N--CA 1.489 1.521 0 CA-C-O 126.57 3.081 . . . . 53.41 109.622 176.98 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.402 ' HA3' ' HB2' ' A' ' 97' ' ' TYR . . . -57.57 -47.88 85.18 Favored Glycine 0 C--O 1.27 2.4 0 CA-C-N 112.169 -2.287 . . . . 18.94 113.348 178.385 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.527 ' HB2' ' CD1' ' A' ' 97' ' ' TYR . . . -63.84 -30.3 71.4 Favored 'General case' 0 C--N 1.288 -2.107 0 C-N-CA 128.538 2.735 . . . . 15.1 114.403 -179.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . 0.306 71.4 p -84.18 -28.16 27.55 Favored 'General case' 0 C--O 1.255 1.342 0 C-N-CA 128.633 2.773 . . . . 19.68 113.755 -179.109 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -44.28 62.04 Favored 'General case' 0 C--O 1.268 2.029 0 CA-C-O 124.961 2.315 . . . . 23.66 104.957 176.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.479 ' CE2' ' HB2' ' A' ' 14' ' ' CYS 0.276 47.5 t80 -54.07 -51.3 64.56 Favored 'General case' 0 CA--C 1.549 0.917 1 CA-C-O 130.495 4.95 . . . . 11.62 109.274 179.54 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -58.11 -48.65 79.55 Favored 'General case' 0 C--O 1.246 0.875 0 O-C-N 116.303 -3.998 . . . . 25.47 111.22 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.2 p -79.84 -24.24 41.44 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 118.877 -2.39 . . . . 22.83 115.377 178.024 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mtp180 -121.97 -10.42 8.64 Favored 'General case' 0 C--O 1.275 2.437 0 CA-C-N 125.326 3.694 . . . . 44.72 118.843 -177.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.479 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 3.8 m -125.3 -28.64 3.35 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-O 112.788 -3.482 . . . . 9.79 112.486 -179.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . 0.293 25.9 tp -55.19 -37.52 67.17 Favored 'General case' 0 C--N 1.282 -2.329 0 C-N-CA 128.908 2.883 . . . . 16.87 116.883 -173.259 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . 0.259 56.8 tt0 -46.8 -38.85 10.8 Favored 'General case' 0 C--N 1.309 -1.186 0 CA-C-N 113.103 -1.862 . . . . 19.13 110.371 174.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 72.0 m -116.88 -16.79 10.55 Favored 'General case' 0 C--O 1.283 2.858 0 N-CA-C 117.167 2.284 . . . . 11.86 117.167 -176.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 95.5 m-70 -136.22 157.46 46.75 Favored 'General case' 0 N--CA 1.507 2.424 1 CA-C-O 129.6 4.524 . . . . 13.1 115.927 -177.187 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.8 p -118.36 160.94 20.78 Favored 'General case' 0 C--O 1.257 1.462 0 O-C-N 117.975 -2.953 . . . . 14.2 106.497 176.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.4 m -123.03 -13.47 6.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 C-N-CA 114.744 -2.782 . . . . 13.17 111.717 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.34 146.74 42.83 Favored 'General case' 0 C--O 1.196 -1.722 0 CA-C-N 112.64 -2.073 . . . . 38.08 113.836 -175.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.86 116.54 6.45 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 106.405 -1.702 . . . . 29.06 106.405 179.074 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.86 1.84 58.52 Favored Glycine 1 N--CA 1.53 4.966 1 C-N-CA 111.268 -5.253 . . . . 22.86 112.794 -177.45 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -82.54 147.25 25.29 Favored Glycine 0 CA--C 1.557 2.705 0 N-CA-C 104.56 -3.416 . . . . 17.97 104.56 174.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_endo -78.47 158.37 29.05 Favored 'Trans proline' 0 C--N 1.297 -2.148 0 CA-C-N 112.548 -1.826 . . . . 11.95 115.922 177.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 26.8 m-70 -78.42 140.01 38.7 Favored 'General case' 0 C--O 1.271 2.2 0 CA-C-O 114.535 -2.65 . . . . 16.84 104.487 172.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -121.1 -125.04 0.27 Allowed 'General case' 0 C--O 1.264 1.833 0 N-CA-C 105.391 -2.077 . . . . 17.85 105.391 177.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 36.9 t -60.8 -51.17 76.22 Favored 'Isoleucine or valine' 0 C--N 1.371 1.502 0 O-C-N 127.99 3.306 . . . . 10.18 107.857 171.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -103.73 165.03 15.33 Favored Glycine 0 CA--C 1.55 2.253 0 N-CA-C 105.461 -3.056 . . . . 11.33 105.461 177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -71.88 167.3 27.0 Favored 'Trans proline' 0 C--O 1.249 1.049 0 C-N-CA 121.907 1.738 . . . . 13.6 111.513 -176.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -70.5 136.51 49.47 Favored 'General case' 0 N--CA 1.493 1.684 2 CA-C-O 111.465 -4.112 . . . . 16.02 106.555 176.324 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . 0.262 7.0 mt -97.05 5.25 50.7 Favored 'General case' 0 C--O 1.282 2.809 0 O-C-N 126.658 2.474 . . . . 13.44 114.119 -176.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . 0.288 22.9 t60 -50.4 134.82 23.02 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 121.196 1.816 . . . . 29.39 108.222 176.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 62.23 19.05 59.08 Favored Glycine 0 C--N 1.345 1.067 1 CA-C-O 112.718 -4.379 . . . . 19.42 113.268 179.493 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.7 tp -57.1 -33.19 42.2 Favored 'Isoleucine or valine' 0 C--O 1.27 2.182 1 CA-C-N 125.49 4.645 . . . . 16.79 117.347 177.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . 0.339 43.2 m-85 -64.41 126.23 27.15 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 119.19 -2.194 . . . . 32.47 109.596 -176.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.46 ' O ' HD21 ' A' ' 58' ' ' LEU . . . 89.62 -19.66 39.44 Favored Glycine 0 CA--C 1.492 -1.362 0 N-CA-C 117.323 1.689 . . . . 24.49 117.323 -178.468 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 23.0 ttp180 -77.07 158.02 30.75 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 118.333 -2.863 . . . . 28.69 108.642 177.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.464 ' CE1' HD23 ' A' ' 58' ' ' LEU . 49.9 m80 -87.34 171.32 10.68 Favored 'General case' 0 C--O 1.286 3.001 0 N-CA-C 103.265 -2.865 . . . . 22.75 103.265 175.854 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 44.7 p -77.27 141.71 39.83 Favored 'General case' 0 C--N 1.277 -2.545 0 C-N-CA 127.637 2.375 . . . . 16.69 110.999 177.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.477 ' C ' ' HG2' ' A' ' 42' ' ' GLN . . . 72.39 46.38 33.64 Favored Glycine 0 C--N 1.281 -2.51 1 CA-C-O 113.381 -4.011 . . . . 18.36 112.857 179.726 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.477 ' HG2' ' C ' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -130.0 5.7 4.97 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-N 122.922 3.361 . . . . 29.09 118.756 -176.704 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.82 139.56 56.58 Favored 'General case' 0 C--O 1.271 2.198 0 N-CA-C 105.506 -2.035 . . . . 20.44 105.506 178.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . 0.301 9.0 pt-20 -87.52 153.63 21.26 Favored 'General case' 0 N--CA 1.5 2.071 1 C-N-CA 107.355 -5.738 . . . . 37.27 112.718 177.669 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 83.88 9.6 82.42 Favored Glycine 0 C--N 1.377 2.831 0 CA-C-N 112.022 -2.353 . . . . 16.3 111.922 177.576 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . 0.258 37.6 t80 -117.58 133.56 55.82 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 127.896 3.712 . . . . 12.36 110.637 177.27 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . 0.285 11.0 t -89.13 83.07 6.52 Favored 'General case' 0 C--O 1.262 1.73 0 CA-C-N 109.798 -3.364 . . . . 15.49 110.633 179.759 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.465 ' CE1' ' HA2' ' A' ' 41' ' ' GLY . 85.6 m-85 -81.52 160.56 23.88 Favored 'General case' 0 N--CA 1.497 1.901 1 O-C-N 115.88 -4.262 . . . . 19.69 110.216 179.557 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 80.6 p -71.64 161.16 31.43 Favored 'General case' 0 C--N 1.291 -1.956 0 C-N-CA 130.422 3.489 . . . . 18.48 105.653 179.186 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 54' ' ' LYS . 65.8 m-20 -59.9 -44.53 94.2 Favored 'General case' 0 N--CA 1.478 0.95 0 O-C-N 128.27 3.481 . . . . 30.9 109.547 -178.776 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.19 -50.25 50.0 Favored 'General case' 0 C--O 1.27 2.14 1 C-N-CA 132.644 4.378 . . . . 22.08 117.162 -177.37 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . 0.26 12.4 tt -69.28 -42.46 81.4 Favored 'Isoleucine or valine' 0 C--O 1.248 1.004 0 CA-C-O 125.713 2.673 . . . . 21.0 111.826 178.123 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 48.7 mt -57.06 -47.33 83.84 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.114 0 O-C-N 118.3 -2.75 . . . . 24.35 112.645 -179.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HB2' ' O ' ' A' ' 50' ' ' ASP . 1.9 tptm -71.48 -28.32 63.85 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 127.925 3.266 . . . . 44.56 111.948 -174.96 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.912 ' HG3' HG23 ' A' ' 57' ' ' VAL . 16.7 tptt -67.84 -32.27 72.68 Favored 'General case' 0 C--O 1.259 1.603 0 CA-C-N 113.223 -1.808 . . . . 38.62 107.209 -179.669 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 33.49 69.12 0.14 Allowed 'General case' 0 C--N 1.292 -1.929 0 C-N-CA 126.902 2.081 . . . . 33.39 115.178 178.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.912 HG23 ' HG3' ' A' ' 55' ' ' LYS . 75.0 t -91.04 138.76 18.91 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.342 1 C-N-CA 131.73 4.012 . . . . 32.73 105.991 -179.878 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 39' ' ' HIS . 1.7 tm? -99.96 117.94 35.31 Favored 'General case' 0 N--CA 1.483 1.215 1 O-C-N 134.848 7.593 . . . . 31.12 102.08 176.012 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.9 m95 -80.55 107.94 13.78 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 124.497 2.094 . . . . 29.19 111.964 -173.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 62' ' ' ASN . 12.8 p30 -125.58 165.27 18.83 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 103.001 -2.963 . . . . 38.21 103.001 178.307 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.04 -26.28 62.27 Favored 'General case' 0 C--N 1.288 -2.093 0 C-N-CA 126.01 1.724 . . . . 61.0 111.075 178.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.498 ' N ' ' OD1' ' A' ' 60' ' ' ASP . 1.2 m-20 -83.31 -34.42 25.7 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 118.879 2.918 . . . . 43.19 118.879 -178.843 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.432 ' OD1' ' OH ' ' A' ' 74' ' ' TYR . 0.8 OUTLIER -70.73 -50.58 34.73 Favored 'General case' 0 C--N 1.278 -2.542 1 C-N-CA 133.143 4.577 . . . . 36.98 110.564 179.03 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 28.3 tpp -55.83 -39.62 71.64 Favored 'General case' 0 C--N 1.3 -1.574 1 CA-C-N 108.113 -4.13 . . . . 25.47 107.251 175.885 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.7 t -64.84 -49.61 69.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 125.821 1.951 . . . . 19.83 112.251 -179.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 62' ' ' ASN . 1.3 mp0 -65.41 -42.06 92.93 Favored 'General case' 0 N--CA 1.434 -1.275 0 N-CA-C 106.769 -1.567 . . . . 51.87 106.769 177.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -56.08 -48.3 76.37 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 115.125 -2.63 . . . . 19.12 112.458 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . 0.293 18.6 mt -59.78 -27.23 66.37 Favored 'General case' 0 CA--C 1.483 -1.615 0 CA-C-N 112.937 -1.938 . . . . 18.29 114.821 -176.725 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.1 m -59.71 -44.6 93.63 Favored 'General case' 0 N--CA 1.429 -1.501 0 C-N-CA 124.605 1.162 . . . . 19.83 113.333 177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -174.84 90.91 0.31 Allowed Pre-proline 0 C--O 1.261 1.688 0 C-N-CA 128.708 2.803 . . . . 29.32 108.404 -174.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . 0.261 28.0 Cg_exo -54.28 -56.98 2.06 Favored 'Trans proline' 0 C--O 1.274 2.318 1 O-C-N 130.431 4.911 . . . . 17.18 116.605 179.375 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' M3L . . . . . 0.41 HM32 ' HD3' ' A' ' 72' ' ' M3L . . . . . . . . 0 N--CA 1.482 1.163 0 CA-C-N 120.527 1.512 . . . . 23.04 110.367 178.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . 0.316 5.2 tmtt? -62.41 -54.2 43.7 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 104.233 -2.506 . . . . 33.83 104.233 177.548 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.432 ' OH ' ' OD1' ' A' ' 63' ' ' ASN . 43.5 t80 -56.89 -48.57 77.87 Favored 'General case' 0 C--N 1.285 -2.209 0 N-CA-C 118.393 2.738 . . . . 31.33 118.393 179.543 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.8 mt -127.85 77.8 75.91 Favored Pre-proline 0 C--N 1.304 -1.374 0 C-N-CA 126.117 1.767 . . . . 22.79 109.013 178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -51.69 132.83 42.74 Favored 'Trans proline' 0 N--CA 1.439 -1.678 0 N-CA-C 107.917 -1.609 . . . . 19.32 107.917 179.283 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.61 -4.45 56.56 Favored Glycine 0 C--N 1.309 -0.951 0 N-CA-C 114.76 0.664 . . . . 16.68 114.76 179.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.9 t -66.99 135.45 53.77 Favored 'General case' 0 C--O 1.246 0.888 0 CA-C-O 123.571 1.653 . . . . 16.55 108.988 177.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . 0.256 4.5 pttt -79.47 -0.74 34.41 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 116.912 -1.518 . . . . 18.22 107.098 177.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 5.6 ttt -68.49 106.15 2.45 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.717 1.599 . . . . 15.89 108.0 178.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . 0.267 . . -88.99 60.45 5.46 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-O 123.568 1.652 . . . . 20.64 114.132 179.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.685 ' CE1' ' HA2' ' A' ' 84' ' ' GLY . 18.7 t80 -122.01 126.88 49.51 Favored 'General case' 0 C--N 1.284 -2.257 0 O-C-N 117.021 -3.55 . . . . 23.54 106.433 177.51 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.97 -53.26 46.84 Favored Glycine 0 C--O 1.266 2.095 0 N-CA-C 109.263 -1.535 . . . . 31.37 109.263 -179.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.685 ' HA2' ' CE1' ' A' ' 82' ' ' PHE . . . 137.44 178.07 15.64 Favored Glycine 0 C--N 1.347 1.148 0 C-N-CA 120.367 -0.92 . . . . 23.93 112.085 178.048 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.576 ' HG ' ' HZ ' ' A' ' 82' ' ' PHE . 14.6 mt -115.64 99.62 7.46 Favored 'General case' 0 C--N 1.295 -1.774 0 C-N-CA 125.747 1.619 . . . . 17.24 110.089 179.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.405 ' HE2' ' HB2' ' A' ' 86' ' ' LYS . 3.6 mtmm -71.94 -32.01 66.9 Favored 'General case' 0 C--O 1.269 2.129 0 CA-C-O 115.963 -1.97 . . . . 36.77 115.652 -177.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.6 mttp -76.63 122.95 25.38 Favored 'General case' 0 C--O 1.248 0.985 0 O-C-N 125.654 1.846 . . . . 33.84 111.94 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -58.47 -34.87 71.34 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 125.184 2.421 . . . . 25.39 110.403 175.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -66.01 -41.78 90.56 Favored 'General case' 0 C--N 1.289 -2.039 1 O-C-N 112.952 -6.093 . . . . 38.29 109.952 -179.507 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -61.07 -43.17 99.28 Favored 'General case' 0 N--CA 1.515 2.809 0 CA-C-N 123.332 2.787 . . . . 24.39 113.784 175.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -57.23 -44.04 83.42 Favored 'General case' 0 C--O 1.273 2.324 0 C-N-CA 130.007 3.323 . . . . 28.2 108.191 176.753 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -68.19 -48.5 65.08 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 125.663 1.852 . . . . 17.99 111.138 -177.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -61.51 -46.67 88.98 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 127.531 3.019 . . . . 15.62 109.404 175.92 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . 0.315 28.2 tp -59.51 -44.07 93.23 Favored 'General case' 0 C--O 1.26 1.628 0 CA-C-N 122.707 2.503 . . . . 10.7 113.178 -175.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 65.5 mt -67.11 -33.35 62.62 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 C-N-CA 127.373 2.269 . . . . 18.01 110.053 -178.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 m -62.98 -45.35 92.85 Favored 'General case' 0 C--O 1.254 1.321 0 N-CA-C 103.801 -2.666 . . . . 20.06 103.801 177.281 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.527 ' CD1' ' HB2' ' A' ' 7' ' ' ALA . 52.4 t80 -62.63 -47.54 83.3 Favored 'General case' 0 C--O 1.263 1.782 0 CA-C-O 126.021 2.819 . . . . 18.21 113.356 -179.894 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . 0.287 43.5 mt -61.34 -52.63 63.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 114.511 -2.662 . . . . 22.74 111.314 -175.9 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.9 ttpm? -45.21 -39.03 5.88 Favored 'General case' 0 C--N 1.297 -1.687 0 CA-C-O 126.06 2.838 . . . . 29.9 109.795 174.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 15.9 tttm -83.04 -54.33 5.14 Favored 'General case' 0 C--O 1.263 1.788 0 O-C-N 118.575 -2.578 . . . . 35.37 115.868 -178.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -73.99 -24.82 59.65 Favored 'General case' 0 C--O 1.259 1.574 0 CA-C-O 115.204 -2.331 . . . . 19.45 115.411 -179.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.8 p -90.39 8.67 32.41 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 121.756 2.071 . . . . 22.87 115.816 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.307 -1.26 0 C-N-CA 128.56 2.744 . . . . 39.91 115.019 -178.355 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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 ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' 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 ' 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 ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' 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 ' 164' ' ' 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 ' 172' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 174' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 189' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 191' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 196' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 197' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 198' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . 0.59 ' O ' ' HE2' ' A' ' -2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 300' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_