data_6jiq_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 6jiq _Structure_validation_residue.Date_analyzed 2019-11-22 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 ' 11' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.364 0.126 . . . . 55.07 111.017 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -175.45 130.57 0.27 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.903 0.481 . . . . 47.04 109.838 -178.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 p -131.71 158.36 41.35 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 121.194 0.521 . . . . 36.57 110.547 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -145.95 153.56 40.94 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.069 -0.514 . . . . 29.87 109.971 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.59 124.43 9.9 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.235 -0.893 . . . . 33.58 108.949 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.8 mt -75.08 110.01 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 107.848 -1.167 . . . . 28.85 107.848 170.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -86.82 -26.32 24.12 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.514 -0.474 . . . . 38.83 111.407 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -156.66 133.72 10.43 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.299 -0.63 . . . . 50.28 109.299 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -93.68 126.34 38.8 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.455 -0.572 . . . . 33.88 109.455 173.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.2 mt -103.44 -45.47 4.85 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.902 1.075 . . . . 33.35 113.902 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 tp -162.19 140.19 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.192 -0.669 . . . . 35.86 109.192 -171.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 m -104.93 129.51 53.3 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 107.688 -1.227 . . . . 29.56 107.688 169.443 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.4 mt -93.27 -31.55 14.67 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 113.095 0.776 . . . . 30.3 113.095 -176.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.7 p -172.02 167.82 6.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.238 -1.023 . . . . 29.61 108.238 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -141.15 146.86 37.56 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.338 -1.356 . . . . 29.66 107.338 176.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.0 p30 -109.23 179.73 4.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.814 0.816 . . . . 35.49 111.178 -176.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -58.14 -25.79 61.88 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 114.85 -1.068 . . . . 53.3 113.109 -174.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -95.25 6.29 49.42 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.585 0.587 . . . . 53.0 112.585 -178.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.57 -1.98 85.97 Favored Glycine 0 N--CA 1.44 -1.066 0 CA-C-O 119.193 -0.781 . . . . 30.54 114.297 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -73.68 145.84 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.385 1.092 . . . . 33.09 109.587 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.4 p -122.14 145.53 48.09 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.327 -0.397 . . . . 30.67 110.132 -175.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -94.96 120.66 35.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.367 -0.975 . . . . 37.88 108.367 166.46 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -131.1 153.29 49.5 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.186 0.517 . . . . 27.04 111.98 -171.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.5 mt -105.89 116.59 49.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 106.263 -1.755 . . . . 31.65 106.263 165.261 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -129.39 167.07 18.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.541 0.686 . . . . 26.07 109.244 -177.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -101.95 118.86 37.78 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 106.828 -1.545 . . . . 47.45 106.828 162.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.62 132.75 70.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.092 -0.707 . . . . 28.57 109.092 -170.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.2 t -95.0 121.2 36.38 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.546 -0.539 . . . . 32.46 109.546 172.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -105.69 127.31 52.99 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.052 -0.722 . . . . 36.48 109.052 177.003 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 54.23 38.17 28.76 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.493 0.663 . . . . 41.36 111.443 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.95 4.13 61.8 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 115.634 1.013 . . . . 37.55 115.634 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 162.89 57.64 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 118.843 1.322 . . . . 35.44 110.221 176.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -59.94 144.87 99.41 Favored 'Trans proline' 0 CA--C 1.52 -0.212 0 N-CA-C 109.802 -0.884 . . . . 37.01 109.802 173.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.16 144.25 46.4 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.443 0.639 . . . . 34.04 111.292 -173.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -124.6 161.34 26.45 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.428 -0.953 . . . . 47.16 108.428 175.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -64.62 143.12 58.15 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.297 -0.961 . . . . 34.72 109.91 172.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.4 122.29 10.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.244 -1.391 . . . . 30.61 107.244 -173.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.6 mt -111.77 115.9 51.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 106.668 -1.605 . . . . 33.58 106.668 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 -163.46 155.81 17.94 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 118.512 -1.275 . . . . 29.71 110.009 -163.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.28 144.63 27.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.648 -0.705 . . . . 31.11 111.488 170.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -135.56 145.97 47.53 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.711 -0.677 . . . . 29.16 110.936 -176.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -69.97 163.89 56.84 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.939 0.399 . . . . 31.05 110.263 173.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -50.86 -41.37 55.61 Favored 'Trans proline' 0 C--O 1.24 0.623 0 N-CA-C 115.432 1.281 . . . . 33.73 115.432 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -97.21 10.95 38.08 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.176 -0.952 . . . . 43.71 112.151 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.6 m80 62.58 20.57 12.08 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.834 0.853 . . . . 31.72 113.112 174.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.3 p -94.5 -4.9 47.26 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.311 -0.868 . . . . 37.14 112.791 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -126.85 133.56 50.71 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.777 -0.823 . . . . 56.47 108.777 173.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 16.1 mtm -94.54 144.68 25.38 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.535 1.134 . . . . 46.92 111.229 179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.05 -168.41 27.11 Favored Glycine 0 N--CA 1.44 -1.039 0 CA-C-O 122.246 0.914 . . . . 32.84 111.654 168.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -75.17 147.02 40.8 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.589 0.709 . . . . 54.36 109.973 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.14 -172.9 41.33 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 119.667 -1.254 . . . . 27.67 110.72 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.3 tp -131.6 141.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.627 -0.879 . . . . 28.81 108.627 -177.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 16.4 m -101.72 138.13 39.11 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.737 -0.838 . . . . 32.43 108.737 170.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 98.8 mt -125.72 135.08 51.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.479 -0.328 . . . . 32.81 110.548 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 97.7 p -67.26 162.53 22.48 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 118.815 -1.154 . . . . 30.16 109.88 171.855 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -52.32 -41.92 63.39 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.827 -0.749 . . . . 46.52 111.011 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -66.97 -41.41 86.9 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.349 -0.219 . . . . 41.41 111.428 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -65.69 -42.98 90.6 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.218 -0.593 . . . . 38.53 110.907 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -64.08 -40.75 96.94 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.202 -0.599 . . . . 36.24 111.534 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . . . -67.14 -35.03 78.84 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.402 -0.519 . . . . 38.89 111.368 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.2 m -61.46 -42.75 99.25 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 120.266 -0.574 . . . . 39.65 110.539 175.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.1 ttp -65.68 -47.23 76.16 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.064 -0.397 . . . . 40.53 111.383 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 44.3 t -63.64 -43.64 98.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.039 -0.664 . . . . 49.44 110.487 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -58.27 -33.52 69.49 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.033 -0.667 . . . . 54.86 111.874 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.11 -26.27 39.58 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.014 0.746 . . . . 50.42 113.014 -170.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -112.53 0.19 15.42 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.844 1.053 . . . . 55.66 113.844 -171.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 118.525 0.602 . . . . 56.98 109.741 170.126 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.141 0 O4'-C1'-N19 109.079 1.599 . . . . 73.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.957 0 C4'-C3'-C2' 105.331 2.131 . . . . 54.88 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.257 0 O4'-C1'-C2' 108.043 1.766 . . . . 53.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.55 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.364 0.126 . . . . 55.07 111.017 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -175.45 130.57 0.27 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.903 0.481 . . . . 47.04 109.838 -178.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 p -131.71 158.36 41.35 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 121.194 0.521 . . . . 36.57 110.547 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -145.95 153.56 40.94 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.069 -0.514 . . . . 29.87 109.971 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.59 124.43 9.9 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.235 -0.893 . . . . 33.58 108.949 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.8 mt -75.08 110.01 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 107.848 -1.167 . . . . 28.85 107.848 170.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -86.82 -26.32 24.12 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.514 -0.474 . . . . 38.83 111.407 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -156.66 133.72 10.43 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.299 -0.63 . . . . 50.28 109.299 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -93.68 126.34 38.8 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.455 -0.572 . . . . 33.88 109.455 173.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.2 mt -103.44 -45.47 4.85 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.902 1.075 . . . . 33.35 113.902 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 tp -162.19 140.19 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.192 -0.669 . . . . 35.86 109.192 -171.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 m -104.93 129.51 53.3 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 107.688 -1.227 . . . . 29.56 107.688 169.443 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.4 mt -93.27 -31.55 14.67 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 113.095 0.776 . . . . 30.3 113.095 -176.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.7 p -172.02 167.82 6.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.238 -1.023 . . . . 29.61 108.238 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -141.15 146.86 37.56 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.338 -1.356 . . . . 29.66 107.338 176.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.0 p30 -109.23 179.73 4.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.814 0.816 . . . . 35.49 111.178 -176.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -58.14 -25.79 61.88 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 114.85 -1.068 . . . . 53.3 113.109 -174.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -95.25 6.29 49.42 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.585 0.587 . . . . 53.0 112.585 -178.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.57 -1.98 85.97 Favored Glycine 0 N--CA 1.44 -1.066 0 CA-C-O 119.193 -0.781 . . . . 30.54 114.297 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -73.68 145.84 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.385 1.092 . . . . 33.09 109.587 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.4 p -122.14 145.53 48.09 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.327 -0.397 . . . . 30.67 110.132 -175.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -94.96 120.66 35.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.367 -0.975 . . . . 37.88 108.367 166.46 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -131.1 153.29 49.5 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.186 0.517 . . . . 27.04 111.98 -171.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.5 mt -105.89 116.59 49.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 106.263 -1.755 . . . . 31.65 106.263 165.261 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -129.39 167.07 18.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.541 0.686 . . . . 26.07 109.244 -177.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -101.95 118.86 37.78 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 106.828 -1.545 . . . . 47.45 106.828 162.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.62 132.75 70.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.092 -0.707 . . . . 28.57 109.092 -170.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.2 t -95.0 121.2 36.38 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.546 -0.539 . . . . 32.46 109.546 172.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -105.69 127.31 52.99 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.052 -0.722 . . . . 36.48 109.052 177.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 54.23 38.17 28.76 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.493 0.663 . . . . 41.36 111.443 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.95 4.13 61.8 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 115.634 1.013 . . . . 37.55 115.634 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 162.89 57.64 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 118.843 1.322 . . . . 35.44 110.221 176.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -59.94 144.87 99.41 Favored 'Trans proline' 0 CA--C 1.52 -0.212 0 N-CA-C 109.802 -0.884 . . . . 37.01 109.802 173.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.16 144.25 46.4 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.443 0.639 . . . . 34.04 111.292 -173.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HE2' HG22 ' A' ' 63' ' ' THR . 42.9 mtpt -124.6 161.34 26.45 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.428 -0.953 . . . . 47.16 108.428 175.065 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -64.62 143.12 58.15 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.297 -0.961 . . . . 34.72 109.91 172.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.4 122.29 10.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.244 -1.391 . . . . 30.61 107.244 -173.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.6 mt -111.77 115.9 51.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 106.668 -1.605 . . . . 33.58 106.668 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 -163.46 155.81 17.94 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 118.512 -1.275 . . . . 29.71 110.009 -163.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.28 144.63 27.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.648 -0.705 . . . . 31.11 111.488 170.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -135.56 145.97 47.53 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.711 -0.677 . . . . 29.16 110.936 -176.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -69.97 163.89 56.84 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.939 0.399 . . . . 31.05 110.263 173.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -50.86 -41.37 55.61 Favored 'Trans proline' 0 C--O 1.24 0.623 0 N-CA-C 115.432 1.281 . . . . 33.73 115.432 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -97.21 10.95 38.08 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.176 -0.952 . . . . 43.71 112.151 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.6 m80 62.58 20.57 12.08 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.834 0.853 . . . . 31.72 113.112 174.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.3 p -94.5 -4.9 47.26 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.311 -0.868 . . . . 37.14 112.791 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -126.85 133.56 50.71 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.777 -0.823 . . . . 56.47 108.777 173.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' MET . . . . . 0.402 ' HE2' ' HB2' ' A' ' 58' ' ' MET . 16.1 mtm -94.54 144.68 25.38 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.535 1.134 . . . . 46.92 111.229 179.884 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.05 -168.41 27.11 Favored Glycine 0 N--CA 1.44 -1.039 0 CA-C-O 122.246 0.914 . . . . 32.84 111.654 168.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -75.17 147.02 40.8 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.589 0.709 . . . . 54.36 109.973 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.14 -172.9 41.33 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 119.667 -1.254 . . . . 27.67 110.72 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.3 tp -131.6 141.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.627 -0.879 . . . . 28.81 108.627 -177.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' THR . . . . . 0.463 HG22 ' HE2' ' A' ' 45' ' ' LYS . 16.4 m -101.72 138.13 39.11 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.737 -0.838 . . . . 32.43 108.737 170.637 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 98.8 mt -125.72 135.08 51.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.479 -0.328 . . . . 32.81 110.548 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . 0.443 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 97.7 p -67.26 162.53 22.48 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 118.815 -1.154 . . . . 30.16 109.88 171.855 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -52.32 -41.92 63.39 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.827 -0.749 . . . . 46.52 111.011 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -66.97 -41.41 86.9 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.349 -0.219 . . . . 41.41 111.428 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -65.69 -42.98 90.6 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.218 -0.593 . . . . 38.53 110.907 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 73' ' ' VAL . 46.2 t80 -64.08 -40.75 96.94 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.202 -0.599 . . . . 36.24 111.534 178.889 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . . . -67.14 -35.03 78.84 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.402 -0.519 . . . . 38.89 111.368 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.2 m -61.46 -42.75 99.25 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 120.266 -0.574 . . . . 39.65 110.539 175.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.1 ttp -65.68 -47.23 76.16 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.064 -0.397 . . . . 40.53 111.383 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 69' ' ' PHE . 44.3 t -63.64 -43.64 98.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.039 -0.664 . . . . 49.44 110.487 -178.414 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -58.27 -33.52 69.49 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.033 -0.667 . . . . 54.86 111.874 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.11 -26.27 39.58 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.014 0.746 . . . . 50.42 113.014 -170.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -112.53 0.19 15.42 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.844 1.053 . . . . 55.66 113.844 -171.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 118.525 0.602 . . . . 56.98 109.741 170.126 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.141 0 O4'-C1'-N19 109.079 1.599 . . . . 73.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.957 0 C4'-C3'-C2' 105.331 2.131 . . . . 54.88 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.257 0 O4'-C1'-C2' 108.043 1.766 . . . . 53.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.55 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.364 0.126 . . . . 55.07 111.017 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -175.45 130.57 0.27 Allowed 'General case' 0 CA--C 1.529 0.165 0 C-N-CA 122.903 0.481 . . . . 47.04 109.838 -178.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.4 p -131.71 158.36 41.35 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-O 121.194 0.521 . . . . 36.57 110.547 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -145.95 153.56 40.94 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 116.069 -0.514 . . . . 29.87 109.971 176.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -149.59 124.43 9.9 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.235 -0.893 . . . . 33.58 108.949 175.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 82.8 mt -75.08 110.01 9.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 107.848 -1.167 . . . . 28.85 107.848 170.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -86.82 -26.32 24.12 Favored 'General case' 0 C--O 1.236 0.345 0 C-N-CA 120.514 -0.474 . . . . 38.83 111.407 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 75.9 tt0 -156.66 133.72 10.43 Favored 'General case' 0 CA--C 1.52 -0.187 0 N-CA-C 109.299 -0.63 . . . . 50.28 109.299 179.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -93.68 126.34 38.8 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 109.455 -0.572 . . . . 33.88 109.455 173.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.2 mt -103.44 -45.47 4.85 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 113.902 1.075 . . . . 33.35 113.902 -177.968 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 23.3 tp -162.19 140.19 8.76 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.192 -0.669 . . . . 35.86 109.192 -171.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 43.8 m -104.93 129.51 53.3 Favored 'General case' 0 C--N 1.333 -0.14 0 N-CA-C 107.688 -1.227 . . . . 29.56 107.688 169.443 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.4 mt -93.27 -31.55 14.67 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 113.095 0.776 . . . . 30.3 113.095 -176.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 91.7 p -172.02 167.82 6.01 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 108.238 -1.023 . . . . 29.61 108.238 179.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.9 tt0 -141.15 146.86 37.56 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.338 -1.356 . . . . 29.66 107.338 176.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.0 p30 -109.23 179.73 4.08 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.814 0.816 . . . . 35.49 111.178 -176.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 10.6 pm0 -58.14 -25.79 61.88 Favored 'General case' 0 C--O 1.24 0.577 0 CA-C-N 114.85 -1.068 . . . . 53.3 113.109 -174.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 13.4 mtpp -95.25 6.29 49.42 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 112.585 0.587 . . . . 53.0 112.585 -178.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 87.57 -1.98 85.97 Favored Glycine 0 N--CA 1.44 -1.066 0 CA-C-O 119.193 -0.781 . . . . 30.54 114.297 176.388 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 14.8 m95 -73.68 145.84 44.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 118.385 1.092 . . . . 33.09 109.587 177.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.4 p -122.14 145.53 48.09 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.327 -0.397 . . . . 30.67 110.132 -175.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 60.7 mttt -94.96 120.66 35.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.367 -0.975 . . . . 37.88 108.367 166.46 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -131.1 153.29 49.5 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 121.186 0.517 . . . . 27.04 111.98 -171.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.5 mt -105.89 116.59 49.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 N-CA-C 106.263 -1.755 . . . . 31.65 106.263 165.261 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -129.39 167.07 18.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.541 0.686 . . . . 26.07 109.244 -177.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 mtp180 -101.95 118.86 37.78 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 106.828 -1.545 . . . . 47.45 106.828 162.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 87.4 t -124.62 132.75 70.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.092 -0.707 . . . . 28.57 109.092 -170.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.2 t -95.0 121.2 36.38 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 109.546 -0.539 . . . . 32.46 109.546 172.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -105.69 127.31 52.99 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 109.052 -0.722 . . . . 36.48 109.052 177.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 54.23 38.17 28.76 Favored 'General case' 0 C--O 1.24 0.563 0 CA-C-O 121.493 0.663 . . . . 41.36 111.443 177.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 72.95 4.13 61.8 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 115.634 1.013 . . . . 37.55 115.634 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.34 162.89 57.64 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 118.843 1.322 . . . . 35.44 110.221 176.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -59.94 144.87 99.41 Favored 'Trans proline' 0 CA--C 1.52 -0.212 0 N-CA-C 109.802 -0.884 . . . . 37.01 109.802 173.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.16 144.25 46.4 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.443 0.639 . . . . 34.04 111.292 -173.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HE2' HG22 ' A' ' 63' ' ' THR . 42.9 mtpt -124.6 161.34 26.45 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.428 -0.953 . . . . 47.16 108.428 175.065 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -64.62 143.12 58.15 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 119.297 -0.961 . . . . 34.72 109.91 172.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -147.4 122.29 10.0 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.244 -1.391 . . . . 30.61 107.244 -173.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 18.6 mt -111.77 115.9 51.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.295 0 N-CA-C 106.668 -1.605 . . . . 33.58 106.668 178.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 55.0 ttm-85 -163.46 155.81 17.94 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 118.512 -1.275 . . . . 29.71 110.009 -163.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -85.28 144.63 27.98 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.648 -0.705 . . . . 31.11 111.488 170.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 94.7 m95 -135.56 145.97 47.53 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.711 -0.677 . . . . 29.16 110.936 -176.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -69.97 163.89 56.84 Favored Pre-proline 0 C--N 1.332 -0.183 0 CA-C-O 120.939 0.399 . . . . 31.05 110.263 173.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_exo -50.86 -41.37 55.61 Favored 'Trans proline' 0 C--O 1.24 0.623 0 N-CA-C 115.432 1.281 . . . . 33.73 115.432 -178.739 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 44.3 p-10 -97.21 10.95 38.08 Favored 'General case' 0 C--N 1.329 -0.288 0 O-C-N 121.176 -0.952 . . . . 43.71 112.151 179.268 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 79.6 m80 62.58 20.57 12.08 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 123.834 0.853 . . . . 31.72 113.112 174.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.3 p -94.5 -4.9 47.26 Favored 'General case' 0 C--O 1.234 0.288 0 O-C-N 121.311 -0.868 . . . . 37.14 112.791 175.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -126.85 133.56 50.71 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.777 -0.823 . . . . 56.47 108.777 173.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' MET . . . . . 0.402 ' HE2' ' HB2' ' A' ' 58' ' ' MET . 16.1 mtm -94.54 144.68 25.38 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 124.535 1.134 . . . . 46.92 111.229 179.884 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -102.05 -168.41 27.11 Favored Glycine 0 N--CA 1.44 -1.039 0 CA-C-O 122.246 0.914 . . . . 32.84 111.654 168.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -75.17 147.02 40.8 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.589 0.709 . . . . 54.36 109.973 175.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -176.14 -172.9 41.33 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 119.667 -1.254 . . . . 27.67 110.72 -178.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 1.3 tp -131.6 141.01 46.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 108.627 -0.879 . . . . 28.81 108.627 -177.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' THR . . . . . 0.463 HG22 ' HE2' ' A' ' 45' ' ' LYS . 16.4 m -101.72 138.13 39.11 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 108.737 -0.838 . . . . 32.43 108.737 170.637 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 98.8 mt -125.72 135.08 51.68 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 116.479 -0.328 . . . . 32.81 110.548 179.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . 0.443 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 97.7 p -67.26 162.53 22.48 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 118.815 -1.154 . . . . 30.16 109.88 171.855 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 -52.32 -41.92 63.39 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 119.827 -0.749 . . . . 46.52 111.011 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -66.97 -41.41 86.9 Favored 'General case' 0 C--O 1.236 0.35 0 O-C-N 122.349 -0.219 . . . . 41.41 111.428 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -65.69 -42.98 90.6 Favored 'General case' 0 C--O 1.235 0.303 0 C-N-CA 120.218 -0.593 . . . . 38.53 110.907 178.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.411 ' O ' HG23 ' A' ' 73' ' ' VAL . 46.2 t80 -64.08 -40.75 96.94 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.202 -0.599 . . . . 36.24 111.534 178.889 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . . . -67.14 -35.03 78.84 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.402 -0.519 . . . . 38.89 111.368 178.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.2 m -61.46 -42.75 99.25 Favored 'General case' 0 C--O 1.239 0.544 0 C-N-CA 120.266 -0.574 . . . . 39.65 110.539 175.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 52.1 ttp -65.68 -47.23 76.16 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 122.064 -0.397 . . . . 40.53 111.383 179.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 69' ' ' PHE . 44.3 t -63.64 -43.64 98.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.493 0 C-N-CA 120.039 -0.664 . . . . 49.44 110.487 -178.414 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -58.27 -33.52 69.49 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 120.033 -0.667 . . . . 54.86 111.874 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.11 -26.27 39.58 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.014 0.746 . . . . 50.42 113.014 -170.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -112.53 0.19 15.42 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 113.844 1.053 . . . . 55.66 113.844 -171.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 118.525 0.602 . . . . 56.98 109.741 170.126 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.141 0 O4'-C1'-N19 109.079 1.599 . . . . 73.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.538 1.957 0 C4'-C3'-C2' 105.331 2.131 . . . . 54.88 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.531 1.257 0 O4'-C1'-C2' 108.043 1.766 . . . . 53.16 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.55 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_