data_6e6l_residue ############################ # Computer software used # ############################ 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 6e6l _Structure_validation_residue.Date_analyzed 2019-10-11 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.237 0.418 0 N-CA-C 113.757 1.021 . . . . 56.66 113.757 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 307' ' ' HOH . 93.3 mtt180 -89.05 3.08 52.92 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.164 -0.926 . . . . 48.22 112.272 170.928 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -89.25 104.78 17.3 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.078 -1.453 . . . . 47.03 107.078 -175.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -103.75 16.48 26.27 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.602 0.593 . . . . 39.66 112.602 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -56.7 143.2 37.3 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.075 0.464 . . . . 41.74 111.897 176.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.58 179.97 19.17 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 116.19 1.236 . . . . 37.52 116.19 170.578 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.4 m -103.56 122.52 45.12 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.356 -1.349 . . . . 42.26 107.356 171.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -120.3 127.97 52.86 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.683 -0.488 . . . . 37.23 109.683 -173.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -109.4 125.37 52.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.476 -0.935 . . . . 65.66 108.476 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.2 ttm -63.18 123.54 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.407 0.442 . . . . 38.34 111.156 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.21 -48.21 7.3 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.115 0.966 . . . . 71.21 111.467 174.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -142.12 162.87 34.38 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.845 0.831 . . . . 41.92 110.518 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -156.27 98.77 1.88 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 104.761 -2.311 . . . . 32.92 104.761 -171.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -107.29 134.75 49.91 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 123.412 0.445 . . . . 49.8 111.421 -176.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.8 t30 60.53 29.41 18.99 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.741 -0.663 . . . . 38.08 112.252 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.25 -32.7 71.4 Favored 'General case' 0 C--N 1.341 0.207 0 O-C-N 121.57 -0.706 . . . . 42.72 110.993 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -61.99 -44.11 97.42 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.678 0.275 . . . . 54.94 111.723 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.75 -39.26 60.26 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 119.825 -1.179 . . . . 36.72 112.508 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -60.42 -47.62 85.31 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.079 -0.659 . . . . 32.87 111.046 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.1 mtm -65.12 -37.06 86.24 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 119.635 -0.826 . . . . 40.05 111.697 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -65.05 -41.55 95.09 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.97 -0.692 . . . . 53.91 111.335 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.82 -20.86 64.1 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 111.874 0.324 . . . . 41.36 111.874 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 mt -91.0 0.4 57.55 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 122.9 0.48 . . . . 38.98 112.251 174.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 64.9 29.13 12.57 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.266 1.026 . . . . 46.08 112.665 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -66.45 137.03 25.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 109.254 -0.647 . . . . 44.4 109.254 169.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -76.43 159.19 30.67 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.968 0.89 . . . . 72.82 111.483 -170.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.51 -56.33 10.22 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.663 -1.153 . . . . 76.64 111.783 -172.706 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.68 72.89 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.325 -0.95 . . . . 56.11 111.877 -170.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.1 m -69.72 -46.41 66.02 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.26 -0.576 . . . . 55.99 110.966 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -59.2 -38.76 80.67 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.386 -0.526 . . . . 49.67 111.033 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -56.1 -38.17 70.39 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 122.597 0.359 . . . . 69.0 111.536 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -85.42 -44.92 17.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 120.295 -0.562 . . . . 54.04 110.974 -179.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.91 -36.2 72.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.623 -0.431 . . . . 41.96 112.044 -175.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.3 m -65.49 -9.17 7.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 119.709 -0.797 . . . . 48.41 112.8 -177.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -96.62 -9.99 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.925 0.713 . . . . 80.33 112.925 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mt -81.96 156.59 24.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.163 0.983 . . . . 49.2 111.273 -172.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.6 m -113.61 154.03 27.87 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.293 -1.373 . . . . 61.37 107.293 165.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -121.01 139.16 53.67 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.701 -0.851 . . . . 56.75 108.701 -170.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.4 m -117.21 127.95 54.61 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.641 -1.244 . . . . 46.48 107.641 168.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 tp -116.15 119.44 35.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.356 -0.979 . . . . 47.43 108.356 -175.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.4 t -103.34 115.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 106.752 -1.573 . . . . 38.59 106.752 173.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.8 mt -106.6 122.6 60.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 107.76 -1.2 . . . . 36.06 107.76 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -112.03 111.38 22.25 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.202 -1.777 . . . . 73.0 106.202 174.171 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -124.01 127.34 47.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.643 -0.503 . . . . 42.02 109.643 -173.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.14 101.59 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.827 -1.546 . . . . 65.95 106.827 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.65 -116.17 8.69 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 111.346 -0.702 . . . . 45.07 111.346 -172.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -104.81 12.25 32.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.596 0.591 . . . . 52.46 112.596 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -97.56 124.5 41.85 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.038 0.535 . . . . 47.4 109.948 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -118.96 141.77 48.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.062 0.458 . . . . 40.51 111.273 -175.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -125.9 120.64 30.97 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.099 -1.445 . . . . 63.55 107.099 165.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -104.02 129.58 51.64 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.906 -0.775 . . . . 46.9 108.906 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -125.48 115.15 19.78 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 107.282 -1.377 . . . . 65.49 107.282 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.9 m -117.78 130.51 56.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 122.671 0.388 . . . . 44.49 109.993 -174.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 t -119.91 135.9 54.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.45 -0.945 . . . . 47.24 108.45 168.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -106.82 147.07 30.15 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.842 -0.799 . . . . 55.48 108.842 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.5 m -143.56 139.73 29.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.772 -0.649 . . . . 45.38 110.416 -163.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -130.76 133.55 46.11 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.236 -0.438 . . . . 60.35 110.2 170.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ARG . . . . . 0.574 ' NH1' ' O ' ' A' ' 301' ' ' HOH . 17.0 tpp85 -91.58 121.94 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.85 0.86 . . . . 67.98 108.715 175.977 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -84.96 164.15 18.49 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.692 0.758 . . . . 64.11 110.215 173.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.26 142.74 57.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.374 -0.83 . . . . 54.85 109.905 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.78 154.17 15.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.418 0.628 . . . . 59.38 109.565 172.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.74 125.39 66.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 108.022 -1.103 . . . . 53.42 108.022 164.496 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -118.85 135.81 54.35 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.258 -1.016 . . . . 55.62 108.258 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -159.65 164.16 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.09 -1.078 . . . . 38.81 108.09 -178.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -121.81 133.92 54.9 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 107.2 -1.407 . . . . 38.94 107.2 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.18 126.45 12.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 119.742 -0.783 . . . . 38.04 109.519 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.18 -11.41 63.77 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 115.522 0.969 . . . . 42.13 115.522 173.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.12 118.01 57.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-N 119.297 1.548 . . . . 44.53 107.568 178.195 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -61.76 146.05 50.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.228 -0.896 . . . . 54.31 110.527 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -142.67 155.76 44.96 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.999 -0.741 . . . . 39.37 108.999 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . 0.437 ' OD1' ' NE2' ' A' ' 81' ' ' HIS . 20.1 m-20 -85.36 139.99 31.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.191 -0.913 . . . . 42.17 110.189 177.102 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -132.15 139.24 48.34 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.144 -0.688 . . . . 70.26 109.144 176.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -111.84 124.45 52.38 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.006 -1.85 . . . . 50.14 106.006 164.038 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.7 p -88.78 53.83 2.83 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.798 0.809 . . . . 46.83 110.424 -171.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -48.01 -37.01 13.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.753 -1.112 . . . . 66.66 111.489 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 p -54.29 -30.19 50.0 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.421 0.526 . . . . 62.16 112.421 175.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.8 mt -127.58 -103.34 0.33 Allowed 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.523 -0.471 . . . . 46.09 111.465 -170.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -88.77 -1.53 58.13 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 113.334 0.865 . . . . 43.54 113.334 -175.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.8 t30 55.2 51.49 13.12 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.39 0.614 . . . . 61.79 111.625 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -113.9 156.54 23.78 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.761 0.791 . . . . 49.81 110.492 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' HIS . . . . . 0.437 ' NE2' ' OD1' ' A' ' 71' ' ' ASP . 12.4 t-80 -88.81 123.53 33.3 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 108.171 -1.048 . . . . 43.31 108.171 175.396 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.4 m -126.19 157.22 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 107.807 -1.183 . . . . 37.31 107.807 171.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -104.48 108.23 19.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.358 -1.349 . . . . 43.34 107.358 170.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.16 134.98 41.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.421 . . . . 40.68 110.533 -170.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.6 tp -129.92 121.51 26.78 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.828 -0.805 . . . . 40.59 108.828 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.7 t -110.5 129.26 65.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 108.063 -1.088 . . . . 36.24 108.063 -175.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -139.14 160.41 39.87 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.474 -0.565 . . . . 37.04 109.474 179.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -89.79 134.6 34.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.791 -0.64 . . . . 39.17 110.694 173.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -117.91 92.28 3.79 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 105.801 -1.925 . . . . 60.59 105.801 164.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.31 -127.35 23.76 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 109.078 -1.609 . . . . 34.8 109.078 -169.659 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -95.81 8.62 43.04 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.225 0.61 . . . . 60.56 112.554 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.2 t -95.73 121.71 46.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 107.767 -1.197 . . . . 32.83 107.767 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.1 tp -85.33 120.15 26.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.672 -1.232 . . . . 33.42 107.672 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.6 t -119.94 127.5 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.093 -0.706 . . . . 32.68 109.093 -168.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.0 t -123.1 129.34 51.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.427 -0.583 . . . . 34.7 109.427 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.7 t -107.99 125.18 64.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.433 -1.321 . . . . 38.5 107.433 170.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -106.44 91.05 3.54 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.561 -0.903 . . . . 35.21 108.561 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -72.03 126.89 30.91 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.544 -0.753 . . . . 55.38 110.747 -175.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.89 -158.16 22.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.798 -0.715 . . . . 37.19 111.427 -173.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.99 -40.8 97.2 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.809 -0.356 . . . . 57.78 111.737 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -79.93 134.17 36.26 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.944 -0.473 . . . . 46.8 110.509 -174.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.74 145.59 42.9 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.301 0.572 . . . . 74.86 110.839 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.6 t30 52.48 45.14 29.12 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.721 0.772 . . . . 58.67 111.592 174.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -99.04 124.86 44.34 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.092 -0.707 . . . . 37.3 109.092 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 176.31 -160.01 27.46 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 119.442 -1.361 . . . . 32.6 111.462 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 39.3 p-90 -162.78 164.09 26.38 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.566 0.698 . . . . 35.9 109.761 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -136.05 140.86 44.13 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.762 1.625 . . . . 59.86 108.313 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -138.52 132.54 31.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.505 -0.924 . . . . 52.73 108.505 -172.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 27.0 p90 -155.28 152.64 29.48 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.498 -0.881 . . . . 37.91 110.441 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.5 mm -95.13 136.32 26.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-N 115.152 -0.931 . . . . 49.06 108.656 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -138.61 106.24 5.6 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.055 -1.461 . . . . 71.8 107.055 166.7 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.3 -129.69 11.65 Favored Glycine 0 CA--C 1.509 -0.287 0 C-N-CA 120.481 -0.866 . . . . 58.27 110.981 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -96.22 11.08 35.75 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 123.167 0.587 . . . . 69.7 112.159 174.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -110.66 138.32 47.21 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.081 0.467 . . . . 57.95 110.061 -177.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.5 tt -105.1 126.38 52.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.631 -1.248 . . . . 40.94 107.631 171.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.88 134.68 47.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.301 -1.0 . . . . 50.54 108.301 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 41.6 tp -134.86 125.58 27.08 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.24 -1.022 . . . . 33.19 108.24 -178.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -119.57 111.47 18.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.476 -1.305 . . . . 61.15 107.476 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mt -97.0 140.75 31.07 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.135 -0.691 . . . . 34.5 109.135 176.215 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.1 p -132.11 141.24 49.09 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.916 0.388 . . . . 37.1 110.277 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 42.4 t -152.84 124.6 7.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.529 -1.285 . . . . 37.76 107.529 168.553 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 60.71 -126.24 40.44 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 119.414 -1.374 . . . . 42.86 110.448 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -97.68 4.11 50.12 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.853 0.686 . . . . 60.04 112.853 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -93.42 137.9 32.27 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.932 0.396 . . . . 44.2 110.844 -177.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.4 t -127.95 129.47 69.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.456 -0.942 . . . . 39.42 108.456 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.2 t -115.93 127.19 54.78 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.145 -1.057 . . . . 33.75 108.145 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 308' ' ' HOH . 1.9 mtt85 -112.22 121.22 44.31 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.627 -0.879 . . . . 61.21 108.627 -174.213 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -120.83 141.87 50.16 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.989 -0.745 . . . . 34.97 108.989 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 24.3 t -121.95 131.06 73.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 107.812 -1.181 . . . . 36.5 107.812 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -115.16 148.94 38.4 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.597 0.713 . . . . 37.03 110.137 176.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 6.2 tttm -106.53 134.48 49.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.674 -1.148 . . . . 66.27 108.478 174.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -65.66 127.56 32.43 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.451 -0.574 . . . . 49.74 109.451 173.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.4 tttt . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.991 0.424 . . . . 76.1 110.383 179.933 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.574 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.425 ' O ' ' N ' ' A' ' 2' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . 0.42 ' O ' ' NH1' ' A' ' 127' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.237 0.418 0 N-CA-C 113.757 1.021 . . . . 56.66 113.757 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -89.05 3.08 52.92 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.164 -0.926 . . . . 48.22 112.272 170.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -89.25 104.78 17.3 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.078 -1.453 . . . . 47.03 107.078 -175.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -103.75 16.48 26.27 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.602 0.593 . . . . 39.66 112.602 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -56.7 143.2 37.3 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.075 0.464 . . . . 41.74 111.897 176.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.58 179.97 19.17 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 116.19 1.236 . . . . 37.52 116.19 170.578 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.4 m -103.56 122.52 45.12 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.356 -1.349 . . . . 42.26 107.356 171.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -120.3 127.97 52.86 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.683 -0.488 . . . . 37.23 109.683 -173.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -109.4 125.37 52.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.476 -0.935 . . . . 65.66 108.476 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.2 ttm -63.18 123.54 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.407 0.442 . . . . 38.34 111.156 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.21 -48.21 7.3 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.115 0.966 . . . . 71.21 111.467 174.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -142.12 162.87 34.38 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.845 0.831 . . . . 41.92 110.518 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -156.27 98.77 1.88 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 104.761 -2.311 . . . . 32.92 104.761 -171.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -107.29 134.75 49.91 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 123.412 0.445 . . . . 49.8 111.421 -176.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.8 t30 60.53 29.41 18.99 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.741 -0.663 . . . . 38.08 112.252 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.25 -32.7 71.4 Favored 'General case' 0 C--N 1.341 0.207 0 O-C-N 121.57 -0.706 . . . . 42.72 110.993 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -61.99 -44.11 97.42 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.678 0.275 . . . . 54.94 111.723 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.75 -39.26 60.26 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 119.825 -1.179 . . . . 36.72 112.508 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -60.42 -47.62 85.31 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.079 -0.659 . . . . 32.87 111.046 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.1 mtm -65.12 -37.06 86.24 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 119.635 -0.826 . . . . 40.05 111.697 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -65.05 -41.55 95.09 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.97 -0.692 . . . . 53.91 111.335 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.82 -20.86 64.1 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 111.874 0.324 . . . . 41.36 111.874 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 mt -91.0 0.4 57.55 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 122.9 0.48 . . . . 38.98 112.251 174.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 64.9 29.13 12.57 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.266 1.026 . . . . 46.08 112.665 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -66.45 137.03 25.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 109.254 -0.647 . . . . 44.4 109.254 169.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -76.43 159.19 30.67 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.968 0.89 . . . . 72.82 111.483 -170.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.51 -56.33 10.22 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.663 -1.153 . . . . 76.64 111.783 -172.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.68 72.89 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.325 -0.95 . . . . 56.11 111.877 -170.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.1 m -69.72 -46.41 66.02 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.26 -0.576 . . . . 55.99 110.966 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -59.2 -38.76 80.67 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.386 -0.526 . . . . 49.67 111.033 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -56.1 -38.17 70.39 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 122.597 0.359 . . . . 69.0 111.536 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -85.42 -44.92 17.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 120.295 -0.562 . . . . 54.04 110.974 -179.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.91 -36.2 72.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.623 -0.431 . . . . 41.96 112.044 -175.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.3 m -65.49 -9.17 7.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 119.709 -0.797 . . . . 48.41 112.8 -177.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -96.62 -9.99 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.925 0.713 . . . . 80.33 112.925 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mt -81.96 156.59 24.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.163 0.983 . . . . 49.2 111.273 -172.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.6 m -113.61 154.03 27.87 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.293 -1.373 . . . . 61.37 107.293 165.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -121.01 139.16 53.67 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.701 -0.851 . . . . 56.75 108.701 -170.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.4 m -117.21 127.95 54.61 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.641 -1.244 . . . . 46.48 107.641 168.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 tp -116.15 119.44 35.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.356 -0.979 . . . . 47.43 108.356 -175.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.4 t -103.34 115.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 106.752 -1.573 . . . . 38.59 106.752 173.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.8 mt -106.6 122.6 60.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 107.76 -1.2 . . . . 36.06 107.76 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -112.03 111.38 22.25 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.202 -1.777 . . . . 73.0 106.202 174.171 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -124.01 127.34 47.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.643 -0.503 . . . . 42.02 109.643 -173.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.14 101.59 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.827 -1.546 . . . . 65.95 106.827 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.65 -116.17 8.69 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 111.346 -0.702 . . . . 45.07 111.346 -172.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -104.81 12.25 32.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.596 0.591 . . . . 52.46 112.596 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -97.56 124.5 41.85 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.038 0.535 . . . . 47.4 109.948 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -118.96 141.77 48.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.062 0.458 . . . . 40.51 111.273 -175.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -125.9 120.64 30.97 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.099 -1.445 . . . . 63.55 107.099 165.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -104.02 129.58 51.64 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.906 -0.775 . . . . 46.9 108.906 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -125.48 115.15 19.78 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 107.282 -1.377 . . . . 65.49 107.282 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.9 m -117.78 130.51 56.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 122.671 0.388 . . . . 44.49 109.993 -174.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 t -119.91 135.9 54.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.45 -0.945 . . . . 49.14 108.45 168.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -106.82 147.07 30.15 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.842 -0.799 . . . . 55.48 108.842 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.5 m -143.56 139.73 29.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.772 -0.649 . . . . 45.38 110.416 -163.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -130.76 133.55 46.11 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.236 -0.438 . . . . 60.35 110.2 170.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ARG . . . . . 0.574 ' NH1' ' O ' ' A' ' 301' ' ' HOH . 17.0 tpp85 -91.58 121.94 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.85 0.86 . . . . 67.98 108.715 175.977 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -84.96 164.15 18.49 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.692 0.758 . . . . 64.11 110.215 173.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.26 142.74 57.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.374 -0.83 . . . . 54.85 109.905 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.78 154.17 15.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.418 0.628 . . . . 59.38 109.565 172.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.74 125.39 66.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 108.022 -1.103 . . . . 53.42 108.022 164.496 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -118.85 135.81 54.35 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.258 -1.016 . . . . 55.62 108.258 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -159.65 164.16 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.09 -1.078 . . . . 38.81 108.09 -178.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -121.81 133.92 54.9 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 107.2 -1.407 . . . . 38.94 107.2 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.18 126.45 12.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 119.742 -0.783 . . . . 38.04 109.519 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.18 -11.41 63.77 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 115.522 0.969 . . . . 42.13 115.522 173.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.12 118.01 57.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-N 119.297 1.548 . . . . 44.53 107.568 178.195 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -61.76 146.05 50.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.228 -0.896 . . . . 54.31 110.527 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -142.67 155.76 44.96 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.999 -0.741 . . . . 39.37 108.999 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -85.36 139.99 31.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.191 -0.913 . . . . 42.17 110.189 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -132.15 139.24 48.34 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.144 -0.688 . . . . 70.26 109.144 176.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -111.84 124.45 52.38 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.006 -1.85 . . . . 50.14 106.006 164.038 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.7 p -88.78 53.83 2.83 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.798 0.809 . . . . 46.83 110.424 -171.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -48.01 -37.01 13.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.753 -1.112 . . . . 66.66 111.489 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 p -54.29 -30.19 50.0 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.421 0.526 . . . . 62.16 112.421 175.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.8 mt -127.58 -103.34 0.33 Allowed 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.523 -0.471 . . . . 46.09 111.465 -170.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -88.77 -1.53 58.13 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 113.334 0.865 . . . . 43.54 113.334 -175.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.8 t30 55.2 51.49 13.12 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.39 0.614 . . . . 61.79 111.625 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -113.9 156.54 23.78 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.761 0.791 . . . . 49.81 110.492 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -88.81 123.53 33.3 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 108.171 -1.048 . . . . 43.31 108.171 175.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.4 m -126.19 157.22 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 107.807 -1.183 . . . . 37.31 107.807 171.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -104.48 108.23 19.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.358 -1.349 . . . . 43.34 107.358 170.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.16 134.98 41.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.421 . . . . 40.68 110.533 -170.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.6 tp -129.92 121.51 26.78 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.828 -0.805 . . . . 40.59 108.828 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.7 t -110.5 129.26 65.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 108.063 -1.088 . . . . 36.24 108.063 -175.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -139.14 160.41 39.87 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.474 -0.565 . . . . 37.04 109.474 179.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -89.79 134.6 34.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.791 -0.64 . . . . 39.17 110.694 173.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -117.91 92.28 3.79 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 105.801 -1.925 . . . . 60.59 105.801 164.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.31 -127.35 23.76 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 109.078 -1.609 . . . . 34.8 109.078 -169.659 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -95.81 8.62 43.04 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.225 0.61 . . . . 60.56 112.554 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.2 t -95.73 121.71 46.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 107.767 -1.197 . . . . 32.83 107.767 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.1 tp -85.33 120.15 26.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.672 -1.232 . . . . 33.42 107.672 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.6 t -119.94 127.5 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.093 -0.706 . . . . 32.68 109.093 -168.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.0 t -123.1 129.34 51.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.427 -0.583 . . . . 34.7 109.427 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.7 t -107.99 125.18 64.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.433 -1.321 . . . . 38.5 107.433 170.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -106.44 91.05 3.54 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.561 -0.903 . . . . 35.21 108.561 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -72.03 126.89 30.91 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.544 -0.753 . . . . 55.38 110.747 -175.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.89 -158.16 22.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.798 -0.715 . . . . 37.19 111.427 -173.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.99 -40.8 97.2 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.809 -0.356 . . . . 57.78 111.737 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -79.93 134.17 36.26 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.944 -0.473 . . . . 46.8 110.509 -174.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.74 145.59 42.9 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.301 0.572 . . . . 74.86 110.839 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.6 t30 52.48 45.14 29.12 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.721 0.772 . . . . 58.67 111.592 174.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -99.04 124.86 44.34 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.092 -0.707 . . . . 37.3 109.092 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 176.31 -160.01 27.46 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 119.442 -1.361 . . . . 32.6 111.462 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 39.3 p-90 -162.78 164.09 26.38 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.566 0.698 . . . . 35.9 109.761 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -136.05 140.86 44.13 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.762 1.625 . . . . 59.86 108.313 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 108' ' ' LYS . 4.3 ttmm -138.52 132.54 31.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.505 -0.924 . . . . 52.73 108.505 -172.839 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 27.0 p90 -155.28 152.64 29.48 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.498 -0.881 . . . . 37.91 110.441 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.5 mm -95.13 136.32 26.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-N 115.152 -0.931 . . . . 49.06 108.656 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -138.61 106.24 5.6 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.055 -1.461 . . . . 71.8 107.055 166.7 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.3 -129.69 11.65 Favored Glycine 0 CA--C 1.509 -0.287 0 C-N-CA 120.481 -0.866 . . . . 58.27 110.981 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -96.22 11.08 35.75 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 123.167 0.587 . . . . 69.7 112.159 174.82 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LYS . . . . . 0.725 ' HE2' ' HD2' ' A' ' 131' ' ' LYS . 32.2 mmtp -110.66 138.32 47.21 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.081 0.467 . . . . 57.95 110.061 -177.396 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.5 tt -105.1 126.38 52.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.631 -1.248 . . . . 40.94 107.631 171.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.88 134.68 47.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.301 -1.0 . . . . 50.54 108.301 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 41.6 tp -134.86 125.58 27.08 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.24 -1.022 . . . . 33.19 108.24 -178.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -119.57 111.47 18.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.476 -1.305 . . . . 61.15 107.476 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mt -97.0 140.75 31.07 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.135 -0.691 . . . . 34.5 109.135 176.215 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.1 p -132.11 141.24 49.09 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.916 0.388 . . . . 37.1 110.277 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 42.4 t -152.84 124.6 7.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.529 -1.285 . . . . 37.76 107.529 168.553 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 60.71 -126.24 40.44 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 119.414 -1.374 . . . . 42.86 110.448 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -97.68 4.11 50.12 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.853 0.686 . . . . 60.04 112.853 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -93.42 137.9 32.27 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.932 0.396 . . . . 44.2 110.844 -177.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.4 t -127.95 129.47 69.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.456 -0.942 . . . . 39.42 108.456 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.2 t -115.93 127.19 54.78 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.145 -1.057 . . . . 33.75 108.145 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 308' ' ' HOH . 1.9 mtt85 -112.22 121.22 44.31 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.627 -0.879 . . . . 61.21 108.627 -174.213 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -120.83 141.87 50.16 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.989 -0.745 . . . . 34.97 108.989 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 24.3 t -121.95 131.06 73.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 107.812 -1.181 . . . . 36.5 107.812 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -115.16 148.94 38.4 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.597 0.713 . . . . 37.03 110.137 176.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' LYS . . . . . 0.725 ' HD2' ' HE2' ' A' ' 114' ' ' LYS . 6.2 tttm -106.53 134.48 49.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.674 -1.148 . . . . 66.27 108.478 174.903 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -65.66 127.56 32.43 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.451 -0.574 . . . . 49.74 109.451 173.692 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.4 tttt . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.991 0.424 . . . . 76.1 110.383 179.933 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.574 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.42 ' O ' ' NH1' ' A' ' 127' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 C--O 1.237 0.418 0 N-CA-C 113.757 1.021 . . . . 56.66 113.757 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -89.05 3.08 52.92 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.164 -0.926 . . . . 48.22 112.272 170.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -89.25 104.78 17.3 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 107.078 -1.453 . . . . 47.03 107.078 -175.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -103.75 16.48 26.27 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 112.602 0.593 . . . . 39.66 112.602 177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 10.6 m-80 -56.7 143.2 37.3 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-O 121.075 0.464 . . . . 41.74 111.897 176.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 141.58 179.97 19.17 Favored Glycine 0 N--CA 1.449 -0.456 0 N-CA-C 116.19 1.236 . . . . 37.52 116.19 170.578 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 51.4 m -103.56 122.52 45.12 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 107.356 -1.349 . . . . 42.26 107.356 171.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' TRP . . . . . . . . . . . . . 75.5 m95 -120.3 127.97 52.86 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 109.683 -0.488 . . . . 37.23 109.683 -173.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -109.4 125.37 52.32 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.476 -0.935 . . . . 65.66 108.476 -176.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' MET . . . . . . . . . . . . . 26.2 ttm -63.18 123.54 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.407 0.442 . . . . 38.34 111.156 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -90.21 -48.21 7.3 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 124.115 0.966 . . . . 71.21 111.467 174.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.0 p -142.12 162.87 34.38 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.845 0.831 . . . . 41.92 110.518 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -156.27 98.77 1.88 Allowed 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 104.761 -2.311 . . . . 32.92 104.761 -171.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -107.29 134.75 49.91 Favored 'General case' 0 C--O 1.238 0.464 0 O-C-N 123.412 0.445 . . . . 49.8 111.421 -176.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 65.8 t30 60.53 29.41 18.99 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.741 -0.663 . . . . 38.08 112.252 178.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -60.25 -32.7 71.4 Favored 'General case' 0 C--N 1.341 0.207 0 O-C-N 121.57 -0.706 . . . . 42.72 110.993 169.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 -61.99 -44.11 97.42 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-O 120.678 0.275 . . . . 54.94 111.723 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.75 -39.26 60.26 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 119.825 -1.179 . . . . 36.72 112.508 -178.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -60.42 -47.62 85.31 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 122.079 -0.659 . . . . 32.87 111.046 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.1 mtm -65.12 -37.06 86.24 Favored 'General case' 0 C--O 1.239 0.5 0 C-N-CA 119.635 -0.826 . . . . 40.05 111.697 -179.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -65.05 -41.55 95.09 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 119.97 -0.692 . . . . 53.91 111.335 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.82 -20.86 64.1 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 111.874 0.324 . . . . 41.36 111.874 176.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 60.3 mt -91.0 0.4 57.55 Favored 'General case' 0 C--O 1.235 0.335 0 C-N-CA 122.9 0.48 . . . . 38.98 112.251 174.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 64.9 29.13 12.57 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.266 1.026 . . . . 46.08 112.665 179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.7 mm -66.45 137.03 25.66 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 109.254 -0.647 . . . . 44.4 109.254 169.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -76.43 159.19 30.67 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.968 0.89 . . . . 72.82 111.483 -170.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -49.51 -56.33 10.22 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.663 -1.153 . . . . 76.64 111.783 -172.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.27 -31.68 72.89 Favored 'General case' 0 C--O 1.239 0.509 0 C-N-CA 119.325 -0.95 . . . . 56.11 111.877 -170.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.1 m -69.72 -46.41 66.02 Favored 'General case' 0 C--O 1.238 0.465 0 C-N-CA 120.26 -0.576 . . . . 55.99 110.966 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 80.5 mtm-85 -59.2 -38.76 80.67 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.386 -0.526 . . . . 49.67 111.033 179.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -56.1 -38.17 70.39 Favored 'General case' 0 C--O 1.237 0.405 0 C-N-CA 122.597 0.359 . . . . 69.0 111.536 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -85.42 -44.92 17.29 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 C-N-CA 120.295 -0.562 . . . . 54.04 110.974 -179.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.91 -36.2 72.12 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.623 -0.431 . . . . 41.96 112.044 -175.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 23.3 m -65.49 -9.17 7.21 Favored 'Isoleucine or valine' 0 C--O 1.236 0.344 0 C-N-CA 119.709 -0.797 . . . . 48.41 112.8 -177.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -96.62 -9.99 28.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.925 0.713 . . . . 80.33 112.925 -179.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.4 mt -81.96 156.59 24.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 122.163 0.983 . . . . 49.2 111.273 -172.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.6 m -113.61 154.03 27.87 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.293 -1.373 . . . . 61.37 107.293 165.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -121.01 139.16 53.67 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.701 -0.851 . . . . 56.75 108.701 -170.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 98.4 m -117.21 127.95 54.61 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 107.641 -1.244 . . . . 46.48 107.641 168.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 44.5 tp -116.15 119.44 35.81 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.356 -0.979 . . . . 47.43 108.356 -175.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.4 t -103.34 115.15 44.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 106.752 -1.573 . . . . 38.59 106.752 173.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 68.8 mt -106.6 122.6 60.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.526 0 N-CA-C 107.76 -1.2 . . . . 36.06 107.76 179.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -112.03 111.38 22.25 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 106.202 -1.777 . . . . 73.0 106.202 174.171 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.8 tt0 -124.01 127.34 47.75 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.643 -0.503 . . . . 42.02 109.643 -173.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -130.14 101.59 5.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.827 -1.546 . . . . 65.95 106.827 174.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.65 -116.17 8.69 Favored Glycine 0 N--CA 1.45 -0.417 0 N-CA-C 111.346 -0.702 . . . . 45.07 111.346 -172.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -104.81 12.25 32.86 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.596 0.591 . . . . 52.46 112.596 176.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -97.56 124.5 41.85 Favored 'General case' 0 C--O 1.237 0.415 0 C-N-CA 123.038 0.535 . . . . 47.4 109.948 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -118.96 141.77 48.37 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.062 0.458 . . . . 40.51 111.273 -175.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -125.9 120.64 30.97 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 107.099 -1.445 . . . . 63.55 107.099 165.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 21.0 m-30 -104.02 129.58 51.64 Favored 'General case' 0 C--O 1.236 0.372 0 N-CA-C 108.906 -0.775 . . . . 46.9 108.906 173.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -125.48 115.15 19.78 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 107.282 -1.377 . . . . 65.49 107.282 175.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 58.9 m -117.78 130.51 56.35 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 122.671 0.388 . . . . 44.49 109.993 -174.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.2 t -119.91 135.9 54.71 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 108.45 -0.945 . . . . 49.14 108.45 168.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 p -106.82 147.07 30.15 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.842 -0.799 . . . . 55.48 108.842 176.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.5 m -143.56 139.73 29.86 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.772 -0.649 . . . . 45.38 110.416 -163.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -130.76 133.55 46.11 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.236 -0.438 . . . . 60.35 110.2 170.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.574 ' NH1' ' O ' ' A' ' 301' ' ' HOH . 17.0 tpp85 -91.58 121.94 33.71 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 123.85 0.86 . . . . 67.98 108.715 175.977 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -84.96 164.15 18.49 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.692 0.758 . . . . 64.11 110.215 173.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -66.26 142.74 57.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.374 -0.83 . . . . 54.85 109.905 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -58.78 154.17 15.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.418 0.628 . . . . 59.38 109.565 172.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.1 p -126.74 125.39 66.84 Favored 'Isoleucine or valine' 0 C--O 1.241 0.618 0 N-CA-C 108.022 -1.103 . . . . 53.42 108.022 164.496 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -118.85 135.81 54.35 Favored 'General case' 0 N--CA 1.449 -0.494 0 N-CA-C 108.258 -1.016 . . . . 55.62 108.258 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 53.3 p90 -159.65 164.16 34.31 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.09 -1.078 . . . . 38.81 108.09 -178.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 51.6 m -121.81 133.92 54.9 Favored 'General case' 0 N--CA 1.448 -0.525 0 N-CA-C 107.2 -1.407 . . . . 38.94 107.2 174.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.8 t -55.18 126.45 12.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 C-N-CA 119.742 -0.783 . . . . 38.04 109.519 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 98.18 -11.41 63.77 Favored Glycine 0 N--CA 1.446 -0.684 0 N-CA-C 115.522 0.969 . . . . 42.13 115.522 173.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -115.12 118.01 57.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.559 0 CA-C-N 119.297 1.548 . . . . 44.53 107.568 178.195 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -61.76 146.05 50.6 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.228 -0.896 . . . . 54.31 110.527 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -142.67 155.76 44.96 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.999 -0.741 . . . . 39.37 108.999 179.447 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -85.36 139.99 31.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.191 -0.913 . . . . 42.17 110.189 177.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -132.15 139.24 48.34 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 109.144 -0.688 . . . . 70.26 109.144 176.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -111.84 124.45 52.38 Favored 'General case' 0 C--O 1.237 0.423 0 N-CA-C 106.006 -1.85 . . . . 50.14 106.006 164.038 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' THR . . . . . . . . . . . . . 20.7 p -88.78 53.83 2.83 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.798 0.809 . . . . 46.83 110.424 -171.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 3.3 mtpt -48.01 -37.01 13.78 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 114.753 -1.112 . . . . 66.66 111.489 177.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.2 p -54.29 -30.19 50.0 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 112.421 0.526 . . . . 62.16 112.421 175.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 20.8 mt -127.58 -103.34 0.33 Allowed 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.523 -0.471 . . . . 46.09 111.465 -170.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -88.77 -1.53 58.13 Favored 'General case' 0 C--O 1.233 0.198 0 N-CA-C 113.334 0.865 . . . . 43.54 113.334 -175.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.8 t30 55.2 51.49 13.12 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.39 0.614 . . . . 61.79 111.625 176.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -113.9 156.54 23.78 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.761 0.791 . . . . 49.81 110.492 176.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -88.81 123.53 33.3 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 108.171 -1.048 . . . . 43.31 108.171 175.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 32.4 m -126.19 157.22 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 107.807 -1.183 . . . . 37.31 107.807 171.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -104.48 108.23 19.56 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.358 -1.349 . . . . 43.34 107.358 170.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -99.16 134.98 41.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.275 -0.421 . . . . 40.68 110.533 -170.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 64.6 tp -129.92 121.51 26.78 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.828 -0.805 . . . . 40.59 108.828 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.7 t -110.5 129.26 65.93 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 N-CA-C 108.063 -1.088 . . . . 36.24 108.063 -175.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.5 p -139.14 160.41 39.87 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 109.474 -0.565 . . . . 37.04 109.474 179.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -89.79 134.6 34.1 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 115.791 -0.64 . . . . 39.17 110.694 173.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -117.91 92.28 3.79 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 105.801 -1.925 . . . . 60.59 105.801 164.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 68.31 -127.35 23.76 Favored Glycine 0 N--CA 1.451 -0.318 0 N-CA-C 109.078 -1.609 . . . . 34.8 109.078 -169.659 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -95.81 8.62 43.04 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 123.225 0.61 . . . . 60.56 112.554 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.2 t -95.73 121.71 46.53 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 N-CA-C 107.767 -1.197 . . . . 32.83 107.767 179.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 19.1 tp -85.33 120.15 26.48 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 107.672 -1.232 . . . . 33.42 107.672 178.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 72.6 t -119.94 127.5 75.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.093 -0.706 . . . . 32.68 109.093 -168.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 38.0 t -123.1 129.34 51.33 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.427 -0.583 . . . . 34.7 109.427 -179.972 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 40.7 t -107.99 125.18 64.58 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 N-CA-C 107.433 -1.321 . . . . 38.5 107.433 170.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -106.44 91.05 3.54 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.561 -0.903 . . . . 35.21 108.561 -178.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 40.3 ttpt -72.03 126.89 30.91 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.544 -0.753 . . . . 55.38 110.747 -175.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 177.89 -158.16 22.98 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.798 -0.715 . . . . 37.19 111.427 -173.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -63.99 -40.8 97.2 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.809 -0.356 . . . . 57.78 111.737 -178.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -79.93 134.17 36.26 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 121.944 -0.473 . . . . 46.8 110.509 -174.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -74.74 145.59 42.9 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.301 0.572 . . . . 74.86 110.839 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 63.6 t30 52.48 45.14 29.12 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 121.721 0.772 . . . . 58.67 111.592 174.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 27.9 ttt180 -99.04 124.86 44.34 Favored 'General case' 0 C--O 1.238 0.495 0 N-CA-C 109.092 -0.707 . . . . 37.3 109.092 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 176.31 -160.01 27.46 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 119.442 -1.361 . . . . 32.6 111.462 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' TRP . . . . . . . . . . . . . 39.3 p-90 -162.78 164.09 26.38 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-O 121.566 0.698 . . . . 35.9 109.761 177.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 34.9 mttm -136.05 140.86 44.13 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 125.762 1.625 . . . . 59.86 108.313 176.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' A' ' 108' ' ' LYS . 4.3 ttmm -138.52 132.54 31.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.505 -0.924 . . . . 52.73 108.505 -172.839 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 27.0 p90 -155.28 152.64 29.48 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 119.498 -0.881 . . . . 37.91 110.441 178.064 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 5.5 mm -95.13 136.32 26.53 Favored 'Isoleucine or valine' 0 C--O 1.24 0.564 0 CA-C-N 115.152 -0.931 . . . . 49.06 108.656 176.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -138.61 106.24 5.6 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 107.055 -1.461 . . . . 71.8 107.055 166.7 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 74.3 -129.69 11.65 Favored Glycine 0 CA--C 1.509 -0.287 0 C-N-CA 120.481 -0.866 . . . . 58.27 110.981 -175.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -96.22 11.08 35.75 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 123.167 0.587 . . . . 69.7 112.159 174.82 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.725 ' HE2' ' HD2' ' A' ' 131' ' ' LYS . 32.2 mmtp -110.66 138.32 47.21 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.081 0.467 . . . . 57.95 110.061 -177.396 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 9.5 tt -105.1 126.38 52.01 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 107.631 -1.248 . . . . 40.94 107.631 171.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -104.88 134.68 47.6 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.301 -1.0 . . . . 50.54 108.301 -178.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 41.6 tp -134.86 125.58 27.08 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 108.24 -1.022 . . . . 33.19 108.24 -178.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -119.57 111.47 18.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 107.476 -1.305 . . . . 61.15 107.476 -179.22 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 mt -97.0 140.75 31.07 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 109.135 -0.691 . . . . 34.5 109.135 176.215 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' THR . . . . . . . . . . . . . 44.1 p -132.11 141.24 49.09 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 120.916 0.388 . . . . 37.1 110.277 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' CYS . . . . . . . . . . . . . 42.4 t -152.84 124.6 7.84 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.529 -1.285 . . . . 37.76 107.529 168.553 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 60.71 -126.24 40.44 Favored Glycine 0 C--O 1.24 0.496 0 C-N-CA 119.414 -1.374 . . . . 42.86 110.448 -175.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -97.68 4.11 50.12 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 112.853 0.686 . . . . 60.04 112.853 176.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -93.42 137.9 32.27 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 120.932 0.396 . . . . 44.2 110.844 -177.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 41.4 t -127.95 129.47 69.72 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 N-CA-C 108.456 -0.942 . . . . 39.42 108.456 177.667 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' CYS . . . . . . . . . . . . . 2.2 t -115.93 127.19 54.78 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.145 -1.057 . . . . 33.75 108.145 176.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ARG . . . . . 0.42 ' NH1' ' O ' ' A' ' 308' ' ' HOH . 1.9 mtt85 -112.22 121.22 44.31 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 108.627 -0.879 . . . . 61.21 108.627 -174.213 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -120.83 141.87 50.16 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 108.989 -0.745 . . . . 34.97 108.989 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 24.3 t -121.95 131.06 73.97 Favored 'Isoleucine or valine' 0 C--O 1.241 0.651 0 N-CA-C 107.812 -1.181 . . . . 36.5 107.812 176.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -115.16 148.94 38.4 Favored 'General case' 0 C--O 1.242 0.68 0 CA-C-O 121.597 0.713 . . . . 37.03 110.137 176.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' LYS . . . . . 0.725 ' HD2' ' HE2' ' A' ' 114' ' ' LYS . 6.2 tttm -106.53 134.48 49.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.674 -1.148 . . . . 66.27 108.478 174.903 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.7 tttt -65.66 127.56 32.43 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.451 -0.574 . . . . 49.74 109.451 173.692 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.4 tttt . . . . . 0 N--CA 1.448 -0.528 0 CA-C-O 120.991 0.424 . . . . 76.1 110.383 179.933 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ACT . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.574 ' O ' ' NH1' ' A' ' 58' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 . . . . . 0.42 ' O ' ' NH1' ' A' ' 127' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 344' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_