data_6dlc_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 6dlc _Structure_validation_residue.Date_analyzed 2018-12-21 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 ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.512 0.196 . . . . 159.88 111.277 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -54.69 -38.08 66.57 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.318 -0.553 . . . . 196.67 110.616 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -69.65 -39.97 76.78 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.82 -0.352 . . . . 148.55 111.445 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . . . -60.92 -46.79 89.27 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.371 -0.532 . . . . 148.17 110.871 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . . . -63.24 -42.9 99.27 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.712 -0.395 . . . . 150.84 111.317 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.8 m -63.14 -44.84 94.43 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.629 -0.428 . . . . 151.26 111.293 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -64.35 -44.28 91.96 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.206 -0.598 . . . . 130.24 111.72 178.096 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -62.86 -39.07 93.29 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.504 -0.879 . . . . 111.17 110.519 179.702 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -63.05 -40.39 97.57 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.461 -0.496 . . . . 112.4 110.798 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -58.59 -43.55 89.55 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.977 -0.689 . . . . 128.22 110.41 173.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . . . -56.87 -41.12 77.42 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.866 -0.334 . . . . 102.5 110.908 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ARG . . . . . 0.437 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 40.6 mtt180 -76.59 -35.61 58.03 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.294 -0.962 . . . . 169.94 111.497 -175.063 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -54.43 -47.61 72.63 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.597 0.713 . . . . 156.32 110.38 169.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -60.26 -40.74 91.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.896 -0.593 . . . . 104.23 111.237 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -62.86 -40.17 96.66 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.631 -0.428 . . . . 92.46 111.46 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -64.38 -42.6 96.07 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 120.381 -0.528 . . . . 107.48 111.08 176.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -51.71 -49.73 61.89 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.201 0.524 . . . . 150.99 110.899 171.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.26 -37.54 83.47 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.812 -0.355 . . . . 110.81 111.798 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -66.25 -40.93 90.52 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.778 -0.769 . . . . 146.06 111.039 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -59.45 -44.85 92.88 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 119.658 -0.817 . . . . 115.94 110.465 172.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . 0.484 ' NE2' ' OH ' ' B' ' 123' ' ' TYR . 57.0 t60 -58.19 -38.26 76.36 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.654 -0.418 . . . . 121.76 110.949 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.0 mt -81.68 -30.47 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 119.849 -0.74 . . . . 126.91 111.088 -175.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -57.75 -40.19 79.11 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.244 -0.982 . . . . 120.02 110.085 167.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.74 -45.75 70.66 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 120.602 -0.439 . . . . 122.92 111.282 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.8 mt -56.81 -34.19 67.44 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 119.935 -0.706 . . . . 129.96 111.433 171.185 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . . . -63.1 -50.57 70.02 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.97 -0.456 . . . . 155.97 110.332 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.29 -56.55 15.66 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.389 0.614 . . . . 136.72 110.871 174.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -57.34 -58.37 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.176 0.512 . . . . 135.9 110.561 -174.624 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . . . -49.76 -50.12 45.67 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.9 -0.5 . . . . 169.13 111.718 177.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . . . -54.04 -32.69 55.24 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.551 -0.459 . . . . 168.91 111.137 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -68.55 -44.56 74.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 118.968 -1.093 . . . . 171.92 111.277 174.235 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -121.88 82.2 42.58 Favored Pre-proline 0 C--O 1.238 0.487 0 O-C-N 121.968 -0.457 . . . . 175.37 110.589 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -61.86 -12.09 24.07 Favored 'Trans proline' 0 C--O 1.253 1.269 0 CA-C-N 117.88 0.278 . . . . 177.02 111.632 162.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -59.07 -26.05 64.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 122.787 0.435 . . . . 190.51 112.125 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -101.16 117.88 35.88 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 118.139 0.427 . . . . 190.98 110.161 -172.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . . . -79.03 -17.3 55.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.226 -0.443 . . . . 182.4 112.096 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -69.82 -32.8 71.43 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 119.594 -0.842 . . . . 189.17 111.524 169.637 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.6 t -65.02 -36.13 77.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 119.604 -0.838 . . . . 163.01 109.912 169.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . . . -55.42 -47.97 75.13 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.669 -0.412 . . . . 173.38 110.34 171.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' ALA . 88.1 m-20 -56.48 -65.02 0.68 Allowed 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.521 -0.472 . . . . 193.24 110.163 176.362 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -39.35 -48.99 1.96 Allowed 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.881 0.372 . . . . 156.99 111.59 -179.936 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . . . -59.56 -47.67 90.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.14 0.495 . . . . 142.56 110.256 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . 0.444 ' O ' ' HG3' ' A' ' 52' ' ' ARG . . . -62.93 -46.58 87.09 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 122.017 -0.427 . . . . 119.59 111.271 -177.068 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . . . -60.36 -45.86 91.98 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.807 0.337 . . . . 117.55 111.078 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.0 m -62.18 -37.6 85.89 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.918 -0.713 . . . . 132.5 110.88 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -68.36 -39.43 81.82 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.59 -0.444 . . . . 124.82 111.538 178.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 92.8 mtt180 -56.48 -48.5 76.98 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.46 -0.496 . . . . 153.04 109.9 173.016 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -57.72 -40.73 80.26 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.297 -0.41 . . . . 110.9 111.025 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . . . -62.2 -46.46 96.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.211 0.529 . . . . 107.83 110.287 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . . . -62.32 -41.07 98.24 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.296 -0.562 . . . . 115.5 111.125 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . 0.417 ' CG2' HG12 ' B' ' 134' ' ' VAL . 69.1 mt -67.67 -41.0 85.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 120.196 -0.601 . . . . 107.69 110.39 -178.285 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.78 -36.18 76.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 120.004 -0.679 . . . . 109.2 110.261 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . . . -61.33 -44.56 96.99 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.089 -0.644 . . . . 109.27 110.727 174.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -62.31 -41.19 98.32 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.429 -0.508 . . . . 124.83 111.17 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.02 -36.62 74.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 C-N-CA 120.181 -0.608 . . . . 119.91 110.505 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -64.14 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 121.724 -0.61 . . . . 121.74 110.073 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . . . -71.06 -35.13 71.8 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.303 -0.559 . . . . 115.51 111.531 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . . . -63.63 -44.41 98.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 121.922 -0.486 . . . . 116.78 110.236 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PHE . . . . . 0.461 ' O ' ' CG2' ' A' ' 68' ' ' VAL . 7.5 m-30 -75.3 -23.03 57.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 118.188 -1.405 . . . . 126.68 112.313 176.33 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . . . -62.91 -50.12 72.12 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 119.523 1.056 . . . . 126.25 109.95 170.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . 0.764 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 64.0 m-20 -45.61 -60.12 2.37 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.223 0.535 . . . . 140.34 111.405 169.357 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . . . -58.88 -40.56 84.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.333 -0.394 . . . . 140.7 111.478 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 64' ' ' PHE . 73.7 t -69.46 -46.23 76.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 O-C-N 122.094 -0.379 . . . . 136.62 110.449 -173.314 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ARG . . . . . 0.764 ' NH2' ' OD1' ' A' ' 66' ' ' ASP . 34.2 ptt-85 -69.03 -38.93 79.47 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 118.961 -1.096 . . . . 157.15 110.83 179.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . . . -60.21 -38.7 84.12 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.984 -0.686 . . . . 154.92 111.101 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -70.98 -34.88 71.83 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.687 -0.405 . . . . 143.76 111.053 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . . . -58.33 -28.85 65.45 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.738 -0.385 . . . . 148.79 110.654 171.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . . . -76.1 18.76 0.26 Allowed 'General case' 0 C--O 1.239 0.525 0 N-CA-C 113.025 0.75 . . . . 152.15 113.025 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -154.06 160.85 30.48 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-N 119.04 0.836 . . . . 156.37 109.489 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo . . . . . 0 C--N 1.349 0.569 0 C-N-CA 125.121 3.881 . . . . 188.26 112.759 173.031 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.83 0.348 . . . . 204.06 110.856 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.26 -28.88 65.58 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.147 -0.478 . . . . 212.31 111.934 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . . . -63.3 -34.27 77.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.242 -0.583 . . . . 200.15 111.523 -176.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . . . -65.16 -41.08 95.05 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.933 -0.707 . . . . 192.78 110.639 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . . . -63.07 -36.08 82.38 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.247 -0.581 . . . . 185.5 110.922 174.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . . . -70.43 -39.37 74.43 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.18 -0.608 . . . . 171.73 111.275 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -67.65 -37.11 81.94 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.227 -0.589 . . . . 164.03 110.545 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . . . -61.64 -34.07 75.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.434 -0.506 . . . . 153.98 110.982 171.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . . . -64.85 -47.21 78.75 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.555 -0.458 . . . . 144.9 110.671 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . . . -54.05 -45.24 71.62 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.257 0.551 . . . . 132.24 110.947 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -68.03 -44.32 76.74 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.808 -0.357 . . . . 142.03 111.32 -175.912 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 98.7 mt -65.15 -34.64 78.88 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.667 -0.413 . . . . 120.53 110.766 178.614 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . . . -65.69 -41.51 92.32 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.512 -0.475 . . . . 104.41 111.01 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . . . -64.66 -42.69 95.22 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.939 -0.704 . . . . 116.38 111.114 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.1 -42.54 95.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.057 0.456 . . . . 116.67 110.344 177.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.4 tp -60.6 -40.16 90.78 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.93 -0.481 . . . . 121.36 111.059 177.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . . . -60.39 -47.95 83.88 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.033 0.444 . . . . 108.85 110.602 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 79.1 m -56.53 -42.48 78.52 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.16 -0.616 . . . . 128.66 110.715 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 102' ' ' ILE . . . -63.73 -45.82 88.18 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.884 -0.326 . . . . 91.45 111.164 -177.639 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.1 m -64.7 -39.41 93.61 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.056 -0.657 . . . . 118.36 111.236 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . . . -56.89 -48.21 78.71 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 120.063 -0.655 . . . . 103.46 110.725 174.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.38 -43.12 85.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.874 0.369 . . . . 91.41 110.589 178.455 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 98' ' ' ALA . 43.1 mm -67.03 -38.93 82.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 120.176 -0.609 . . . . 121.31 110.677 -175.721 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -66.72 -41.17 88.36 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.62 -0.832 . . . . 119.06 110.643 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . . . -60.27 -43.78 95.91 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.79 -0.764 . . . . 102.18 110.933 174.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.07 93.1 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.766 -0.374 . . . . 108.53 110.753 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . . . -63.93 -39.19 93.59 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.409 -0.516 . . . . 98.1 110.674 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . . . -63.48 -44.73 93.57 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.562 -0.855 . . . . 102.84 110.994 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.24 -39.67 91.18 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 118.618 -1.233 . . . . 110.3 110.529 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.7 tp -64.93 -35.52 81.44 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.788 -0.365 . . . . 108.83 110.584 -177.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . . . -70.04 -41.38 74.3 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.703 -0.399 . . . . 101.97 110.692 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -54.24 -41.36 68.66 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.346 -0.542 . . . . 121.61 111.596 170.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.7 mt -76.86 -35.71 57.29 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.44 0.533 . . . . 121.58 112.44 -173.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . . . -77.45 -37.14 52.17 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.923 -0.485 . . . . 119.88 111.44 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 N-CA-C 109.864 -0.421 . . . . 137.72 109.864 178.583 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.746 -0.142 . . . . 144.11 112.746 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' ASP . . . . . 0.468 ' OD1' ' HD2' ' B' ' 117' ' ' PRO . 34.9 t0 -56.5 121.15 41.5 Favored Pre-proline 0 C--O 1.241 0.619 0 N-CA-C 109.402 -0.592 . . . . 144.18 109.402 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' PRO . . . . . 0.468 ' HD2' ' OD1' ' B' ' 116' ' ' ASP . 55.3 Cg_endo -64.57 -9.21 19.7 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 N-CA-C 114.613 0.966 . . . . 173.85 114.613 -172.139 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' LYS . . . . . . . . . . . . . . . -60.89 -47.49 86.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 119.498 1.045 . . . . 146.43 110.184 168.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' VAL . . . . . . . . . . . . . 57.8 t -58.52 -45.64 90.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.141 0.496 . . . . 124.89 110.511 176.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.46 -39.62 84.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.416 -0.514 . . . . 131.42 110.635 -175.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . . . -67.16 -39.96 86.59 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 121.768 -0.583 . . . . 128.95 110.965 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 98.3 m -61.84 -41.98 98.47 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.546 -0.862 . . . . 129.36 110.801 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' TYR . . . . . 0.484 ' OH ' ' NE2' ' A' ' 26' ' ' HIS . 88.7 t80 -57.69 -48.91 78.21 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.025 0.441 . . . . 121.64 111.547 176.582 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.08 -39.12 81.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.023 0.439 . . . . 136.86 110.423 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . . . -60.71 -38.48 85.19 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.143 -0.623 . . . . 96.59 110.854 176.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.99 -46.07 92.24 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.8 -0.76 . . . . 119.3 110.032 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.66 -39.19 76.49 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.417 -0.513 . . . . 127.89 111.061 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . . . -69.8 -42.21 74.03 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.519 -0.472 . . . . 109.45 111.101 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . . . -54.66 -40.5 69.11 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.177 -0.609 . . . . 89.39 110.298 172.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -65.5 -44.45 87.0 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.825 -0.35 . . . . 90.24 111.201 179.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . . . -56.66 -43.22 80.14 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.361 -0.535 . . . . 102.2 110.831 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . . . -66.23 -42.92 88.0 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 120.299 -0.56 . . . . 108.1 111.349 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.69 94.79 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.968 -0.693 . . . . 129.12 110.973 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' VAL . . . . . 0.417 HG12 ' CG2' ' A' ' 56' ' ' ILE . 73.2 t -69.45 -33.37 56.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 119.789 -0.764 . . . . 121.57 110.83 178.86 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . . . -64.27 -36.81 85.29 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.565 -0.71 . . . . 107.36 110.818 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . . . -61.62 -48.34 81.31 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.373 -0.531 . . . . 98.53 110.689 172.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 20.9 mt -50.69 -44.99 58.08 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.377 -0.529 . . . . 103.15 111.323 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.82 -44.27 70.31 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.135 -0.626 . . . . 125.72 111.294 -174.343 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . . . -58.04 -41.81 84.05 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.457 -0.897 . . . . 117.41 110.141 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.99 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.284 -0.567 . . . . 123.75 110.389 176.948 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.55 87.69 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.885 -0.509 . . . . 121.89 110.872 -176.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . . . -62.09 -51.16 69.07 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.777 0.323 . . . . 114.67 111.103 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 81.3 m -71.5 -22.73 61.75 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.294 -0.562 . . . . 134.54 112.412 -174.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -77.89 -37.94 46.89 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.368 0.531 . . . . 185.86 111.311 171.988 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.63 -43.05 84.57 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.416 -0.514 . . . . 149.5 110.424 171.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' LYS . . . . . . . . . . . . . . . -61.27 -43.95 98.04 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.314 -0.554 . . . . 170.14 110.879 172.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.723 0.297 . . . . 169.6 110.944 178.919 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.512 0.196 . . . . 147.16 111.277 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -54.69 -38.08 66.57 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.318 -0.553 . . . . 169.71 110.616 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -69.65 -39.97 76.78 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.82 -0.352 . . . . 123.37 111.445 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . . . -60.92 -46.79 89.27 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.371 -0.532 . . . . 123.06 110.871 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . . . -63.24 -42.9 99.27 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.712 -0.395 . . . . 129.3 111.317 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.8 m -63.14 -44.84 94.43 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.629 -0.428 . . . . 125.63 111.293 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -64.35 -44.28 91.96 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.206 -0.598 . . . . 108.11 111.72 178.096 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -62.86 -39.07 93.29 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.504 -0.879 . . . . 98.19 110.519 179.702 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -63.05 -40.39 97.57 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.461 -0.496 . . . . 95.07 110.798 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ASN . . . . . 0.539 ' HB3' HD21 ' A' ' 95' ' ' LEU . 90.1 m-20 -58.59 -43.55 89.55 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.977 -0.689 . . . . 106.43 110.41 173.955 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . . . -56.87 -41.12 77.42 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.866 -0.334 . . . . 85.0 110.908 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 40.6 mtt180 -76.59 -35.61 58.03 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.294 -0.962 . . . . 141.2 111.497 -175.063 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -54.43 -47.61 72.63 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.597 0.713 . . . . 129.85 110.38 169.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -60.26 -40.74 91.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.896 -0.593 . . . . 86.44 111.237 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -62.86 -40.17 96.66 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.631 -0.428 . . . . 82.47 111.46 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -64.38 -42.6 96.07 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 120.381 -0.528 . . . . 91.94 111.08 176.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -51.71 -49.73 61.89 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.201 0.524 . . . . 125.41 110.899 171.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.26 -37.54 83.47 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.812 -0.355 . . . . 91.93 111.798 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -66.25 -40.93 90.52 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.778 -0.769 . . . . 128.39 111.039 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -59.45 -44.85 92.88 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 119.658 -0.817 . . . . 96.2 110.465 172.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . 0.442 ' CE1' HD22 ' A' ' 109' ' ' LEU . 57.0 t60 -58.19 -38.26 76.36 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.654 -0.418 . . . . 101.05 110.949 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.0 mt -81.68 -30.47 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 119.849 -0.74 . . . . 105.34 111.088 -175.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -57.75 -40.19 79.11 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.244 -0.982 . . . . 105.39 110.085 167.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.74 -45.75 70.66 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 120.602 -0.439 . . . . 104.51 111.282 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.8 mt -56.81 -34.19 67.44 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 119.935 -0.706 . . . . 107.88 111.433 171.185 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . . . -63.1 -50.57 70.02 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.97 -0.456 . . . . 129.56 110.332 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.29 -56.55 15.66 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.389 0.614 . . . . 118.95 110.871 174.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -57.34 -58.37 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.176 0.512 . . . . 134.88 110.561 -174.624 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HA ' HG11 ' A' ' 43' ' ' VAL . . . -49.76 -50.12 45.67 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.9 -0.5 . . . . 146.19 111.718 177.561 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . . . -54.04 -32.69 55.24 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.551 -0.459 . . . . 151.85 111.137 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -68.55 -44.56 74.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 118.968 -1.093 . . . . 142.85 111.277 174.235 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -121.88 82.2 42.58 Favored Pre-proline 0 C--O 1.238 0.487 0 O-C-N 121.968 -0.457 . . . . 155.68 110.589 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -61.86 -12.09 24.07 Favored 'Trans proline' 0 C--O 1.253 1.269 0 CA-C-N 117.88 0.278 . . . . 152.99 111.632 162.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -59.07 -26.05 64.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 122.787 0.435 . . . . 159.08 112.125 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -101.16 117.88 35.88 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 118.139 0.427 . . . . 158.73 110.161 -172.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . . . -79.03 -17.3 55.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.226 -0.443 . . . . 152.95 112.096 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -69.82 -32.8 71.43 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 119.594 -0.842 . . . . 157.22 111.524 169.637 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 34' ' ' LEU . 55.6 t -65.02 -36.13 77.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 119.604 -0.838 . . . . 135.42 109.912 169.1 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . . . -55.42 -47.97 75.13 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.669 -0.412 . . . . 144.07 110.34 171.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' ALA . 88.1 m-20 -56.48 -65.02 0.68 Allowed 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.521 -0.472 . . . . 167.45 110.163 176.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -39.35 -48.99 1.96 Allowed 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.881 0.372 . . . . 130.41 111.59 -179.936 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . . . -59.56 -47.67 90.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.14 0.495 . . . . 118.38 110.256 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 52' ' ' ARG . . . -62.93 -46.58 87.09 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 122.017 -0.427 . . . . 115.03 111.271 -177.068 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . . . -60.36 -45.86 91.98 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.807 0.337 . . . . 101.26 111.078 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.0 m -62.18 -37.6 85.89 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.918 -0.713 . . . . 110.0 110.88 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -68.36 -39.43 81.82 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.59 -0.444 . . . . 114.24 111.538 178.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 92.8 mtt180 -56.48 -48.5 76.98 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.46 -0.496 . . . . 127.11 109.9 173.016 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -57.72 -40.73 80.26 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.297 -0.41 . . . . 92.0 111.025 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . . . -62.2 -46.46 96.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.211 0.529 . . . . 92.87 110.287 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . . . -62.32 -41.07 98.24 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.296 -0.562 . . . . 95.83 111.125 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . 0.402 HG21 HG12 ' B' ' 134' ' ' VAL . 69.1 mt -67.67 -41.0 85.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 120.196 -0.601 . . . . 91.05 110.39 -178.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.78 -36.18 76.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 120.004 -0.679 . . . . 94.6 110.261 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . . . -61.33 -44.56 96.99 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.089 -0.644 . . . . 90.64 110.727 174.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -62.31 -41.19 98.32 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.429 -0.508 . . . . 103.61 111.17 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.02 -36.62 74.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 C-N-CA 120.181 -0.608 . . . . 99.51 110.505 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -64.14 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 121.724 -0.61 . . . . 104.45 110.073 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . . . -71.06 -35.13 71.8 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.303 -0.559 . . . . 111.51 111.531 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . . . -63.63 -44.41 98.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 121.922 -0.486 . . . . 96.9 110.236 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PHE . . . . . 0.782 ' O ' HG23 ' A' ' 68' ' ' VAL . 7.5 m-30 -75.3 -23.03 57.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 118.188 -1.405 . . . . 115.19 112.313 176.33 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . . . -62.91 -50.12 72.12 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 119.523 1.056 . . . . 118.25 109.95 170.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . 0.764 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 64.0 m-20 -45.61 -60.12 2.37 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.223 0.535 . . . . 139.38 111.405 169.357 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . . . -58.88 -40.56 84.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.333 -0.394 . . . . 116.83 111.478 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 64' ' ' PHE . 73.7 t -69.46 -46.23 76.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 O-C-N 122.094 -0.379 . . . . 117.37 110.449 -173.314 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ARG . . . . . 0.764 ' NH2' ' OD1' ' A' ' 66' ' ' ASP . 34.2 ptt-85 -69.03 -38.93 79.47 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 118.961 -1.096 . . . . 130.54 110.83 179.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . . . -60.21 -38.7 84.12 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.984 -0.686 . . . . 128.68 111.101 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -70.98 -34.88 71.83 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.687 -0.405 . . . . 122.99 111.053 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . . . -58.33 -28.85 65.45 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.738 -0.385 . . . . 131.84 110.654 171.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . . . -76.1 18.76 0.26 Allowed 'General case' 0 C--O 1.239 0.525 0 N-CA-C 113.025 0.75 . . . . 133.75 113.025 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -154.06 160.85 30.48 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-N 119.04 0.836 . . . . 139.84 109.489 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo . . . . . 0 C--N 1.349 0.569 0 C-N-CA 125.121 3.881 . . . . 156.46 112.759 173.031 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.83 0.348 . . . . 176.25 110.856 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.26 -28.88 65.58 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.147 -0.478 . . . . 179.76 111.934 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . . . -63.3 -34.27 77.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.242 -0.583 . . . . 166.37 111.523 -176.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . . . -65.16 -41.08 95.05 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.933 -0.707 . . . . 160.24 110.639 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . . . -63.07 -36.08 82.38 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.247 -0.581 . . . . 154.17 110.922 174.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . . . -70.43 -39.37 74.43 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.18 -0.608 . . . . 142.69 111.275 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -67.65 -37.11 81.94 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.227 -0.589 . . . . 136.28 110.545 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . . . -61.64 -34.07 75.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.434 -0.506 . . . . 127.9 110.982 171.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . . . -64.85 -47.21 78.75 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.555 -0.458 . . . . 120.34 110.671 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . . . -54.05 -45.24 71.62 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.257 0.551 . . . . 117.5 110.947 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -68.03 -44.32 76.74 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.808 -0.357 . . . . 117.94 111.32 -175.912 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . 0.68 HD21 HG21 ' B' ' 140' ' ' ILE . 98.7 mt -65.15 -34.64 78.88 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.667 -0.413 . . . . 100.03 110.766 178.614 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . . . -65.69 -41.51 92.32 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.512 -0.475 . . . . 97.44 111.01 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . . . -64.66 -42.69 95.22 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.939 -0.704 . . . . 105.31 111.114 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.1 -42.54 95.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.057 0.456 . . . . 96.81 110.344 177.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 15' ' ' ASN . 22.4 tp -60.6 -40.16 90.78 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.93 -0.481 . . . . 100.72 111.059 177.391 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . . . -60.39 -47.95 83.88 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.033 0.444 . . . . 90.29 110.602 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 79.1 m -56.53 -42.48 78.52 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.16 -0.616 . . . . 106.8 110.715 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 102' ' ' ILE . . . -63.73 -45.82 88.18 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.884 -0.326 . . . . 80.72 111.164 -177.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.1 m -64.7 -39.41 93.61 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.056 -0.657 . . . . 98.22 111.236 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . . . -56.89 -48.21 78.71 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 120.063 -0.655 . . . . 93.3 110.725 174.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.38 -43.12 85.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.874 0.369 . . . . 88.92 110.589 178.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . 0.633 HD11 ' CD2' ' B' ' 130' ' ' HIS . 43.1 mm -67.03 -38.93 82.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 120.176 -0.609 . . . . 100.68 110.677 -175.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -66.72 -41.17 88.36 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.62 -0.832 . . . . 119.06 110.643 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . . . -60.27 -43.78 95.91 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.79 -0.764 . . . . 87.72 110.933 174.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.07 93.1 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.766 -0.374 . . . . 90.02 110.753 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . . . -63.93 -39.19 93.59 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.409 -0.516 . . . . 81.33 110.674 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . . . -63.48 -44.73 93.57 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.562 -0.855 . . . . 102.84 110.994 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.24 -39.67 91.18 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 118.618 -1.233 . . . . 91.5 110.529 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' LEU . . . . . 0.442 HD22 ' CE1' ' A' ' 26' ' ' HIS . 18.7 tp -64.93 -35.52 81.44 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.788 -0.365 . . . . 90.28 110.584 -177.981 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . . . -70.04 -41.38 74.3 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.703 -0.399 . . . . 89.07 110.692 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -54.24 -41.36 68.66 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.346 -0.542 . . . . 105.62 111.596 170.107 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LEU . . . . . 0.412 HD21 ' CG1' ' B' ' 119' ' ' VAL . 84.7 mt -76.86 -35.71 57.29 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.44 0.533 . . . . 100.9 112.44 -173.156 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . . . -77.45 -37.14 52.17 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.923 -0.485 . . . . 110.65 111.44 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 N-CA-C 109.864 -0.421 . . . . 114.35 109.864 178.583 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.746 -0.142 . . . . 123.74 112.746 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' ASP . . . . . 0.462 ' OD1' ' HD2' ' B' ' 117' ' ' PRO . 34.9 t0 -56.5 121.15 41.5 Favored Pre-proline 0 C--O 1.241 0.619 0 N-CA-C 109.402 -0.592 . . . . 127.21 109.402 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 117' ' ' PRO . . . . . 0.462 ' HD2' ' OD1' ' B' ' 116' ' ' ASP . 55.3 Cg_endo -64.57 -9.21 19.7 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 N-CA-C 114.613 0.966 . . . . 144.46 114.613 -172.139 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 118' ' ' LYS . . . . . . . . . . . . . . . -60.89 -47.49 86.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 119.498 1.045 . . . . 121.61 110.184 168.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' VAL . . . . . 0.412 ' CG1' HD21 ' A' ' 112' ' ' LEU . 57.8 t -58.52 -45.64 90.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.141 0.496 . . . . 108.33 110.511 176.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.46 -39.62 84.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.416 -0.514 . . . . 109.1 110.635 -175.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . . . -67.16 -39.96 86.59 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 121.768 -0.583 . . . . 110.21 110.965 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 98.3 m -61.84 -41.98 98.47 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.546 -0.862 . . . . 107.38 110.801 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -57.69 -48.91 78.21 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.025 0.441 . . . . 101.71 111.547 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.08 -39.12 81.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.023 0.439 . . . . 113.63 110.423 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . . . -60.71 -38.48 85.19 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.143 -0.623 . . . . 95.9 110.854 176.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.99 -46.07 92.24 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.8 -0.76 . . . . 99.0 110.032 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.66 -39.19 76.49 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.417 -0.513 . . . . 106.16 111.061 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . . . -69.8 -42.21 74.03 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.519 -0.472 . . . . 90.79 111.101 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . . . -54.66 -40.5 69.11 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.177 -0.609 . . . . 79.76 110.298 172.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' HIS . . . . . 0.633 ' CD2' HD11 ' A' ' 102' ' ' ILE . 58.6 t-80 -65.5 -44.45 87.0 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.825 -0.35 . . . . 81.23 111.201 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . . . -56.66 -43.22 80.14 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.361 -0.535 . . . . 84.75 110.831 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . . . -66.23 -42.92 88.0 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 120.299 -0.56 . . . . 103.52 111.349 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.69 94.79 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.968 -0.693 . . . . 107.19 110.973 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' VAL . . . . . 0.402 HG12 HG21 ' A' ' 56' ' ' ILE . 73.2 t -69.45 -33.37 56.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 119.789 -0.764 . . . . 100.9 110.83 178.86 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . . . -64.27 -36.81 85.29 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.565 -0.71 . . . . 89.05 110.818 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . . . -61.62 -48.34 81.31 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.373 -0.531 . . . . 88.05 110.689 172.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 20.9 mt -50.69 -44.99 58.08 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.377 -0.529 . . . . 91.8 111.323 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.82 -44.27 70.31 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.135 -0.626 . . . . 104.35 111.294 -174.343 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . . . -58.04 -41.81 84.05 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.457 -0.897 . . . . 104.19 110.141 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' ILE . . . . . 0.68 HG21 HD21 ' A' ' 91' ' ' LEU . 96.8 mt -61.99 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.284 -0.567 . . . . 102.71 110.389 176.948 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.55 87.69 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.885 -0.509 . . . . 107.35 110.872 -176.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . . . -62.09 -51.16 69.07 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.777 0.323 . . . . 112.15 111.103 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 81.3 m -71.5 -22.73 61.75 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.294 -0.562 . . . . 129.46 112.412 -174.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -77.89 -37.94 46.89 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.368 0.531 . . . . 154.46 111.311 171.988 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.63 -43.05 84.57 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.416 -0.514 . . . . 149.5 110.424 171.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' LYS . . . . . . . . . . . . . . . -61.27 -43.95 98.04 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.314 -0.554 . . . . 141.37 110.879 172.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.723 0.297 . . . . 145.9 110.944 178.919 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.512 0.196 . . . . 147.16 111.277 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -54.69 -38.08 66.57 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.318 -0.553 . . . . 169.71 110.616 -179.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . . . -69.65 -39.97 76.78 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.82 -0.352 . . . . 123.37 111.445 -178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . . . -60.92 -46.79 89.27 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.371 -0.532 . . . . 123.06 110.871 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . . . -63.24 -42.9 99.27 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.712 -0.395 . . . . 129.3 111.317 178.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 97.8 m -63.14 -44.84 94.43 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.629 -0.428 . . . . 125.63 111.293 -179.78 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -64.35 -44.28 91.96 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.206 -0.598 . . . . 108.11 111.72 178.096 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.452 ' O ' ' HG3' ' A' ' 17' ' ' ARG . . . -62.86 -39.07 93.29 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 119.504 -0.879 . . . . 98.19 110.519 179.702 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . . . -63.05 -40.39 97.57 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.461 -0.496 . . . . 95.07 110.798 176.151 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.539 ' HB3' HD21 ' A' ' 95' ' ' LEU . 90.1 m-20 -58.59 -43.55 89.55 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 119.977 -0.689 . . . . 106.43 110.41 173.955 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . . . -56.87 -41.12 77.42 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.866 -0.334 . . . . 85.0 110.908 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HG3' ' O ' ' A' ' 13' ' ' LEU . 40.6 mtt180 -76.59 -35.61 58.03 Favored 'General case' 0 C--O 1.237 0.4 0 C-N-CA 119.294 -0.962 . . . . 141.2 111.497 -175.063 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -54.43 -47.61 72.63 Favored 'General case' 0 C--O 1.239 0.525 0 CA-C-O 121.597 0.713 . . . . 129.85 110.38 169.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -60.26 -40.74 91.41 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.896 -0.593 . . . . 86.44 111.237 178.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . . . -62.86 -40.17 96.66 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.631 -0.428 . . . . 82.47 111.46 178.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . . . -64.38 -42.6 96.07 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 120.381 -0.528 . . . . 91.94 111.08 176.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 62.6 ttm-85 -51.71 -49.73 61.89 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-O 121.201 0.524 . . . . 125.41 110.899 171.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.0 mt -61.26 -37.54 83.47 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.812 -0.355 . . . . 91.93 111.798 179.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -66.25 -40.93 90.52 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 119.778 -0.769 . . . . 128.39 111.039 -179.251 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . . . -59.45 -44.85 92.88 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 119.658 -0.817 . . . . 96.2 110.465 172.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.442 ' CE1' HD22 ' A' ' 109' ' ' LEU . 57.0 t60 -58.19 -38.26 76.36 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.654 -0.418 . . . . 101.05 110.949 179.984 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 96.0 mt -81.68 -30.47 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 119.849 -0.74 . . . . 105.34 111.088 -175.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . . . -57.75 -40.19 79.11 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 119.244 -0.982 . . . . 105.39 110.085 167.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 64.8 tt0 -68.74 -45.75 70.66 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 120.602 -0.439 . . . . 104.51 111.282 -179.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 29.8 mt -56.81 -34.19 67.44 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 119.935 -0.706 . . . . 107.88 111.433 171.185 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . . . -63.1 -50.57 70.02 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 121.97 -0.456 . . . . 129.56 110.332 179.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . . . -53.29 -56.55 15.66 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.389 0.614 . . . . 118.95 110.871 174.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . . . -57.34 -58.37 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.376 0 CA-C-O 121.176 0.512 . . . . 134.88 110.561 -174.624 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' HA ' HG11 ' A' ' 43' ' ' VAL . . . -49.76 -50.12 45.67 Favored 'General case' 0 C--O 1.236 0.353 0 O-C-N 121.9 -0.5 . . . . 146.19 111.718 177.561 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . . . -54.04 -32.69 55.24 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 120.551 -0.459 . . . . 151.85 111.137 179.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . . . -68.55 -44.56 74.24 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 118.968 -1.093 . . . . 142.85 111.277 174.235 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -121.88 82.2 42.58 Favored Pre-proline 0 C--O 1.238 0.487 0 O-C-N 121.968 -0.457 . . . . 155.68 110.589 -179.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -61.86 -12.09 24.07 Favored 'Trans proline' 0 C--O 1.253 1.269 0 CA-C-N 117.88 0.278 . . . . 152.99 111.632 162.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . . . -59.07 -26.05 64.3 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 122.787 0.435 . . . . 159.08 112.125 -177.144 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -101.16 117.88 35.88 Favored 'General case' 0 C--O 1.236 0.385 0 CA-C-N 118.139 0.427 . . . . 158.73 110.161 -172.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . . . -79.03 -17.3 55.56 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.226 -0.443 . . . . 152.95 112.096 173.989 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -69.82 -32.8 71.43 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 119.594 -0.842 . . . . 157.22 111.524 169.637 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.429 HG11 ' HA ' ' A' ' 34' ' ' LEU . 55.6 t -65.02 -36.13 77.08 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 C-N-CA 119.604 -0.838 . . . . 135.42 109.912 169.1 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . . . -55.42 -47.97 75.13 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 120.669 -0.412 . . . . 144.07 110.34 171.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' ALA . 88.1 m-20 -56.48 -65.02 0.68 Allowed 'General case' 0 CA--C 1.52 -0.21 0 C-N-CA 120.521 -0.472 . . . . 167.45 110.163 176.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' ASP . . . -39.35 -48.99 1.96 Allowed 'General case' 0 C--O 1.236 0.394 0 CA-C-O 120.881 0.372 . . . . 130.41 111.59 -179.936 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . . . -59.56 -47.67 90.08 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 CA-C-O 121.14 0.495 . . . . 118.38 110.256 178.874 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 52' ' ' ARG . . . -62.93 -46.58 87.09 Favored 'General case' 0 C--O 1.232 0.159 0 O-C-N 122.017 -0.427 . . . . 115.03 111.271 -177.068 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . . . -60.36 -45.86 91.98 Favored 'General case' 0 C--O 1.238 0.467 0 CA-C-O 120.807 0.337 . . . . 101.26 111.078 179.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.0 m -62.18 -37.6 85.89 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 119.918 -0.713 . . . . 110.0 110.88 178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . . . -68.36 -39.43 81.82 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.59 -0.444 . . . . 114.24 111.538 178.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.447 ' HG3' ' O ' ' A' ' 48' ' ' ASP . 92.8 mtt180 -56.48 -48.5 76.98 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 120.46 -0.496 . . . . 127.11 109.9 173.016 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 66.7 m -57.72 -40.73 80.26 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.297 -0.41 . . . . 92.0 111.025 179.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . . . -62.2 -46.46 96.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 CA-C-O 121.211 0.529 . . . . 92.87 110.287 179.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . . . -62.32 -41.07 98.24 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 120.296 -0.562 . . . . 95.83 111.125 179.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.402 HG21 HG12 ' B' ' 134' ' ' VAL . 69.1 mt -67.67 -41.0 85.04 Favored 'Isoleucine or valine' 0 C--O 1.236 0.351 0 C-N-CA 120.196 -0.601 . . . . 91.05 110.39 -178.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 71.4 t -66.78 -36.18 76.58 Favored 'Isoleucine or valine' 0 C--O 1.234 0.242 0 C-N-CA 120.004 -0.679 . . . . 94.6 110.261 179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . . . -61.33 -44.56 96.99 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.089 -0.644 . . . . 90.64 110.727 174.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 96.8 m -62.31 -41.19 98.32 Favored 'General case' 0 C--O 1.234 0.273 0 C-N-CA 120.429 -0.508 . . . . 103.61 111.17 178.953 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.9 t -69.02 -36.62 74.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 C-N-CA 120.181 -0.608 . . . . 99.51 110.505 -179.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . . . -64.14 -39.98 87.43 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 O-C-N 121.724 -0.61 . . . . 104.45 110.073 178.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . . . -71.06 -35.13 71.8 Favored 'General case' 0 C--O 1.235 0.293 0 C-N-CA 120.303 -0.559 . . . . 111.51 111.531 177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . . . -63.63 -44.41 98.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 O-C-N 121.922 -0.486 . . . . 96.9 110.236 177.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.782 ' O ' HG23 ' A' ' 68' ' ' VAL . 7.5 m-30 -75.3 -23.03 57.3 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 118.188 -1.405 . . . . 115.19 112.313 176.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . . . -62.91 -50.12 72.12 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 119.523 1.056 . . . . 118.25 109.95 170.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.764 ' OD1' ' NH2' ' A' ' 69' ' ' ARG . 64.0 m-20 -45.61 -60.12 2.37 Favored 'General case' 0 C--O 1.24 0.595 0 CA-C-O 121.223 0.535 . . . . 139.38 111.405 169.357 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . . . -58.88 -40.56 84.78 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.333 -0.394 . . . . 116.83 111.478 -176.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.782 HG23 ' O ' ' A' ' 64' ' ' PHE . 73.7 t -69.46 -46.23 76.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 O-C-N 122.094 -0.379 . . . . 117.37 110.449 -173.314 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.764 ' NH2' ' OD1' ' A' ' 66' ' ' ASP . 34.2 ptt-85 -69.03 -38.93 79.47 Favored 'General case' 0 C--O 1.241 0.633 0 C-N-CA 118.961 -1.096 . . . . 130.54 110.83 179.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . . . -60.21 -38.7 84.12 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 119.984 -0.686 . . . . 128.68 111.101 176.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . . . -70.98 -34.88 71.83 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 120.687 -0.405 . . . . 122.99 111.053 178.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . . . -58.33 -28.85 65.45 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.738 -0.385 . . . . 131.84 110.654 171.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . . . -76.1 18.76 0.26 Allowed 'General case' 0 C--O 1.239 0.525 0 N-CA-C 113.025 0.75 . . . . 133.75 113.025 178.036 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . . . -154.06 160.85 30.48 Favored Pre-proline 0 C--O 1.245 0.831 0 CA-C-N 119.04 0.836 . . . . 139.84 109.489 -177.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo . . . . . 0 C--N 1.349 0.569 0 C-N-CA 125.121 3.881 . . . . 156.46 112.759 173.031 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.83 0.348 . . . . 176.25 110.856 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -70.26 -28.88 65.58 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.147 -0.478 . . . . 179.76 111.934 -179.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . . . -63.3 -34.27 77.32 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.242 -0.583 . . . . 166.37 111.523 -176.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . . . -65.16 -41.08 95.05 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 119.933 -0.707 . . . . 160.24 110.639 176.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . . . -63.07 -36.08 82.38 Favored 'General case' 0 C--O 1.234 0.245 0 C-N-CA 120.247 -0.581 . . . . 154.17 110.922 174.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . . . -70.43 -39.37 74.43 Favored 'General case' 0 C--O 1.238 0.489 0 C-N-CA 120.18 -0.608 . . . . 142.69 111.275 -179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . . . -67.65 -37.11 81.94 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.227 -0.589 . . . . 136.28 110.545 176.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . . . -61.64 -34.07 75.04 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 120.434 -0.506 . . . . 127.9 110.982 171.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . . . -64.85 -47.21 78.75 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.555 -0.458 . . . . 120.34 110.671 175.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . . . -54.05 -45.24 71.62 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-O 121.257 0.551 . . . . 117.5 110.947 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 86.1 m -68.03 -44.32 76.74 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.808 -0.357 . . . . 117.94 111.32 -175.912 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.68 HD21 HG21 ' B' ' 140' ' ' ILE . 98.7 mt -65.15 -34.64 78.88 Favored 'General case' 0 C--O 1.234 0.242 0 C-N-CA 120.667 -0.413 . . . . 100.03 110.766 178.614 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . . . -65.69 -41.51 92.32 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 120.512 -0.475 . . . . 97.44 111.01 175.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . . . -64.66 -42.69 95.22 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 119.939 -0.704 . . . . 105.31 111.114 177.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.1 -42.54 95.42 Favored 'Isoleucine or valine' 0 C--O 1.237 0.412 0 CA-C-O 121.057 0.456 . . . . 96.81 110.344 177.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.539 HD21 ' HB3' ' A' ' 15' ' ' ASN . 22.4 tp -60.6 -40.16 90.78 Favored 'General case' 0 C--O 1.237 0.446 0 O-C-N 121.93 -0.481 . . . . 100.72 111.059 177.391 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . . . -60.39 -47.95 83.88 Favored 'General case' 0 C--O 1.24 0.59 0 CA-C-O 121.033 0.444 . . . . 90.29 110.602 176.795 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 79.1 m -56.53 -42.48 78.52 Favored 'General case' 0 C--O 1.238 0.492 0 C-N-CA 120.16 -0.616 . . . . 106.8 110.715 176.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.423 ' O ' HG12 ' A' ' 102' ' ' ILE . . . -63.73 -45.82 88.18 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 120.884 -0.326 . . . . 80.72 111.164 -177.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.1 m -64.7 -39.41 93.61 Favored 'General case' 0 C--O 1.238 0.483 0 C-N-CA 120.056 -0.657 . . . . 98.22 111.236 -179.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . . . -56.89 -48.21 78.71 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 120.063 -0.655 . . . . 93.3 110.725 174.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 96.2 mt -58.38 -43.12 85.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-O 120.874 0.369 . . . . 88.92 110.589 178.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.633 HD11 ' CD2' ' B' ' 130' ' ' HIS . 43.1 mm -67.03 -38.93 82.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.206 0 C-N-CA 120.176 -0.609 . . . . 100.68 110.677 -175.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -66.72 -41.17 88.36 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 119.62 -0.832 . . . . 119.06 110.643 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . . . -60.27 -43.78 95.91 Favored 'General case' 0 C--O 1.244 0.815 0 C-N-CA 119.79 -0.764 . . . . 87.72 110.933 174.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -59.47 -44.07 93.1 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 120.766 -0.374 . . . . 90.02 110.753 178.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . . . -63.93 -39.19 93.59 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 120.409 -0.516 . . . . 81.33 110.674 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . . . -63.48 -44.73 93.57 Favored 'General case' 0 C--O 1.241 0.64 0 C-N-CA 119.562 -0.855 . . . . 102.84 110.994 178.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 34.8 mt -61.24 -39.67 91.18 Favored 'General case' 0 C--O 1.235 0.292 0 C-N-CA 118.618 -1.233 . . . . 91.5 110.529 176.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.442 HD22 ' CE1' ' A' ' 26' ' ' HIS . 18.7 tp -64.93 -35.52 81.44 Favored 'General case' 0 C--O 1.234 0.275 0 C-N-CA 120.788 -0.365 . . . . 90.28 110.584 -177.981 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . . . -70.04 -41.38 74.3 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 120.703 -0.399 . . . . 89.07 110.692 178.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -54.24 -41.36 68.66 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.346 -0.542 . . . . 105.62 111.596 170.107 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.412 HD21 ' CG1' ' B' ' 119' ' ' VAL . 84.7 mt -76.86 -35.71 57.29 Favored 'General case' 0 C--O 1.236 0.357 0 N-CA-C 112.44 0.533 . . . . 100.9 112.44 -173.156 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . . . -77.45 -37.14 52.17 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 121.923 -0.485 . . . . 110.65 111.44 -179.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 N-CA-C 109.864 -0.421 . . . . 114.35 109.864 178.583 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.746 -0.142 . . . . 123.74 112.746 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' ASP . . . . . 0.462 ' OD1' ' HD2' ' B' ' 117' ' ' PRO . 34.9 t0 -56.5 121.15 41.5 Favored Pre-proline 0 C--O 1.241 0.619 0 N-CA-C 109.402 -0.592 . . . . 127.21 109.402 -178.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' PRO . . . . . 0.462 ' HD2' ' OD1' ' B' ' 116' ' ' ASP . 55.3 Cg_endo -64.57 -9.21 19.7 Favored 'Trans proline' 0 CA--C 1.516 -0.399 0 N-CA-C 114.613 0.966 . . . . 144.46 114.613 -172.139 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' LYS . . . . . . . . . . . . . . . -60.89 -47.49 86.14 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-N 119.498 1.045 . . . . 121.61 110.184 168.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' VAL . . . . . 0.412 ' CG1' HD21 ' A' ' 112' ' ' LEU . 57.8 t -58.52 -45.64 90.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-O 121.141 0.496 . . . . 108.33 110.511 176.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' VAL . . . . . . . . . . . . . 94.9 t -66.46 -39.62 84.48 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 C-N-CA 120.416 -0.514 . . . . 109.1 110.635 -175.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' GLU . . . . . . . . . . . . . . . -67.16 -39.96 86.59 Favored 'General case' 0 C--O 1.236 0.373 0 O-C-N 121.768 -0.583 . . . . 110.21 110.965 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' THR . . . . . . . . . . . . . 98.3 m -61.84 -41.98 98.47 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 119.546 -0.862 . . . . 107.38 110.801 174.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -57.69 -48.91 78.21 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-O 121.025 0.441 . . . . 101.71 111.547 176.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 56.0 t -61.08 -39.12 81.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.023 0.439 . . . . 113.63 110.423 178.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' GLU . . . . . . . . . . . . . . . -60.71 -38.48 85.19 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 120.143 -0.623 . . . . 95.9 110.854 176.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' LEU . . . . . . . . . . . . . 38.7 mt -60.99 -46.07 92.24 Favored 'General case' 0 C--O 1.236 0.387 0 C-N-CA 119.8 -0.76 . . . . 99.0 110.032 175.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' LEU . . . . . . . . . . . . . 96.2 mt -57.66 -39.19 76.49 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.417 -0.513 . . . . 106.16 111.061 178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' LYS . . . . . . . . . . . . . . . -69.8 -42.21 74.03 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 120.519 -0.472 . . . . 90.79 111.101 -179.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . . . -54.66 -40.5 69.11 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 120.177 -0.609 . . . . 79.76 110.298 172.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' HIS . . . . . 0.633 ' CD2' HD11 ' A' ' 102' ' ' ILE . 58.6 t-80 -65.5 -44.45 87.0 Favored 'General case' 0 C--O 1.238 0.471 0 C-N-CA 120.825 -0.35 . . . . 81.23 111.201 179.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' GLU . . . . . . . . . . . . . . . -56.66 -43.22 80.14 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 120.361 -0.535 . . . . 84.75 110.831 175.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . . . -66.23 -42.92 88.0 Favored 'General case' 0 C--O 1.24 0.601 0 C-N-CA 120.299 -0.56 . . . . 103.52 111.349 -178.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' ALA . . . . . . . . . . . . . . . -63.87 -39.69 94.79 Favored 'General case' 0 C--O 1.238 0.454 0 C-N-CA 119.968 -0.693 . . . . 107.19 110.973 179.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' VAL . . . . . 0.402 HG12 HG21 ' A' ' 56' ' ' ILE . 73.2 t -69.45 -33.37 56.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 C-N-CA 119.789 -0.764 . . . . 100.9 110.83 178.86 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' LYS . . . . . . . . . . . . . . . -64.27 -36.81 85.29 Favored 'General case' 0 C--O 1.238 0.45 0 O-C-N 121.565 -0.71 . . . . 89.05 110.818 174.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' GLU . . . . . . . . . . . . . . . -61.62 -48.34 81.31 Favored 'General case' 0 C--O 1.239 0.552 0 C-N-CA 120.373 -0.531 . . . . 88.05 110.689 172.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' LEU . . . . . . . . . . . . . 20.9 mt -50.69 -44.99 58.08 Favored 'General case' 0 C--O 1.233 0.218 0 C-N-CA 120.377 -0.529 . . . . 91.8 111.323 173.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' LEU . . . . . . . . . . . . . 62.0 tp -69.82 -44.27 70.31 Favored 'General case' 0 C--O 1.235 0.321 0 C-N-CA 120.135 -0.626 . . . . 104.35 111.294 -174.343 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' GLU . . . . . . . . . . . . . . . -58.04 -41.81 84.05 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 119.457 -0.897 . . . . 104.19 110.141 176.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' ILE . . . . . 0.68 HG21 HD21 ' A' ' 91' ' ' LEU . 96.8 mt -61.99 -45.97 97.52 Favored 'Isoleucine or valine' 0 C--O 1.233 0.221 0 C-N-CA 120.284 -0.567 . . . . 102.71 110.389 176.948 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' ALA . . . . . . . . . . . . . . . -62.65 -46.55 87.69 Favored 'General case' 0 C--O 1.233 0.227 0 O-C-N 121.885 -0.509 . . . . 107.35 110.872 -176.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . . . -62.09 -51.16 69.07 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.777 0.323 . . . . 112.15 111.103 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' THR . . . . . . . . . . . . . 81.3 m -71.5 -22.73 61.75 Favored 'General case' 0 C--O 1.235 0.317 0 C-N-CA 120.294 -0.562 . . . . 129.46 112.412 -174.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -77.89 -37.94 46.89 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 118.368 0.531 . . . . 154.46 111.311 171.988 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.63 -43.05 84.57 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.416 -0.514 . . . . 149.5 110.424 171.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' LYS . . . . . . . . . . . . . . . -61.27 -43.95 98.04 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.314 -0.554 . . . . 141.37 110.879 172.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' LYS . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-O 120.723 0.297 . . . . 145.9 110.944 178.919 . . . . . . . . 0 0 . 1 stop_ save_