data_6q87_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 6q87 _Structure_validation_residue.Date_analyzed 2019-03-15 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.593 0 CA-C-O 120.91 0.386 . . . . 71.38 111.767 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 m -59.47 139.0 57.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.98 -1.009 . . . . 66.94 110.734 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -135.96 160.61 38.08 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.407 -0.815 . . . . 73.27 108.845 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.34 11.62 84.09 Favored Glycine 0 C--O 1.24 0.525 0 N-CA-C 115.483 0.953 . . . . 65.42 115.483 -177.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -116.06 123.5 71.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 107.649 -1.241 . . . . 60.44 107.649 -176.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -135.9 129.01 31.62 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.345 -0.389 . . . . 66.84 110.299 -169.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.4 m -92.38 112.52 24.5 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.025 -0.732 . . . . 72.69 109.025 169.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -97.93 161.37 25.83 Favored Pre-proline 0 C--N 1.309 -1.174 0 C-N-CA 127.048 2.139 . . . . 77.6 110.175 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -62.85 138.54 69.31 Favored 'Trans proline' 0 C--O 1.235 0.327 0 N-CA-C 110.561 -0.592 . . . . 70.67 110.561 169.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 144.58 56.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.451 -0.795 . . . . 74.85 111.067 -175.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 59.42 42.56 17.68 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.551 -0.75 . . . . 93.36 111.207 170.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 m -121.82 139.08 54.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.171 -1.048 . . . . 74.06 108.171 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ARG . . . . . 0.516 ' O ' ' O ' ' A' ' 402' ' ' HOH . 5.0 mtm180 -76.95 140.55 40.5 Favored 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 119.681 -0.808 . . . . 85.92 109.788 173.29 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -137.85 154.23 49.52 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 108.662 -0.866 . . . . 73.06 108.662 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.33 145.41 17.75 Favored Glycine 0 C--O 1.241 0.586 0 N-CA-C 110.017 -1.233 . . . . 67.35 110.017 174.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.63 121.87 41.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 107.846 -1.168 . . . . 71.27 107.846 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.5 m -130.23 137.42 50.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.454 -0.943 . . . . 75.06 108.454 -176.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.47 144.01 49.8 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.704 -0.68 . . . . 74.12 109.986 -175.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -127.16 146.26 50.46 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.84 -0.8 . . . . 71.24 108.84 177.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.04 133.89 53.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.713 0.292 . . . . 76.07 110.338 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -139.27 79.78 1.74 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.465 -0.939 . . . . 86.07 108.465 169.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -166.97 160.5 14.28 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.055 -1.058 . . . . 87.7 111.172 -175.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -68.24 -29.11 67.86 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.561 -1.2 . . . . 100.06 110.962 164.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.15 134.03 12.25 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.916 -0.474 . . . . 82.75 111.916 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m -62.12 114.52 3.47 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.287 -0.634 . . . . 83.07 109.287 170.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -79.76 143.66 34.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.315 0.578 . . . . 85.32 110.06 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 63.5 p -130.33 101.3 5.7 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 105.395 -2.076 . . . . 107.03 105.395 174.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.12 128.88 54.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 N-CA-C 109.483 -0.562 . . . . 80.55 109.483 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -107.42 139.75 41.44 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.27 0.628 . . . . 118.69 109.482 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 t -117.47 108.71 25.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 107.401 -1.333 . . . . 75.64 107.401 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 mt -101.05 126.75 47.76 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.49 -0.323 . . . . 84.54 110.414 -177.696 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.4 t -110.12 126.89 67.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 107.492 -1.299 . . . . 84.38 107.492 170.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 50.4 43.11 26.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.401 0.619 . . . . 97.73 110.794 -174.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ASN . . . . . 0.739 ' N ' ' O ' ' A' ' 403' ' ' HOH . 4.3 m120 61.77 5.09 1.22 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.907 1.077 . . . . 108.89 113.907 -179.56 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . . . -96.82 133.65 41.14 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.562 -0.533 . . . . 84.85 109.562 171.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.8 m -60.25 123.05 16.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.482 -0.326 . . . . 87.71 110.528 176.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.37 -43.16 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.869 1.063 . . . . 76.78 113.869 -174.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.19 156.18 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.931 -0.766 . . . . 71.41 108.931 173.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -146.93 127.79 14.42 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.581 -0.736 . . . . 79.94 109.559 173.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -124.53 143.49 50.65 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.468 0.48 . . . . 79.78 110.213 -175.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -144.9 145.85 31.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.782 0.801 . . . . 97.46 110.831 172.098 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.85 164.29 29.4 Favored Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 108.323 -1.911 . . . . 99.25 108.323 175.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -126.04 128.88 48.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.611 -0.885 . . . . 75.78 108.611 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.8 t -159.72 146.6 16.45 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.15 -0.62 . . . . 76.94 109.653 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -111.14 18.04 19.76 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.879 -1.055 . . . . 72.55 111.278 167.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -135.38 33.21 3.05 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 111.564 0.209 . . . . 93.59 111.564 -176.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.6 t30 59.82 37.64 21.77 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.413 0.625 . . . . 73.47 111.35 172.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.91 143.58 50.91 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.592 -0.843 . . . . 66.17 110.054 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.8 m -78.05 125.81 37.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 108.359 -0.978 . . . . 72.74 108.359 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.8 pt -99.22 4.4 10.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 112.194 0.442 . . . . 80.18 112.194 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.02 139.19 2.63 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 123.337 0.494 . . . . 69.1 112.379 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.0 t -141.36 134.68 29.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.302 -0.999 . . . . 83.34 108.302 172.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -155.14 155.32 33.76 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.581 0.705 . . . . 89.55 110.346 -171.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -105.64 122.74 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.83 -1.077 . . . . 73.24 108.126 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.6 mt -123.55 164.51 18.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.418 0.628 . . . . 71.76 109.848 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -105.2 132.62 51.18 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.028 -0.987 . . . . 81.22 109.414 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 65.7 p -62.23 -12.83 22.5 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.545 0.572 . . . . 82.52 112.545 -178.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.87 -174.39 54.85 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.306 -0.949 . . . . 90.3 112.538 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.7 p -69.14 -31.76 70.64 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 119.377 -0.929 . . . . 99.65 111.524 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.5 p -93.6 -23.84 18.15 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 113.78 1.03 . . . . 84.02 113.78 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 69.46 11.51 65.09 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 115.392 0.917 . . . . 86.42 115.392 -178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -86.13 109.18 18.69 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.508 1.154 . . . . 86.3 108.65 178.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.9 t -106.03 129.5 59.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.642 -1.244 . . . . 70.91 107.642 173.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -126.03 135.55 51.91 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.247 -0.649 . . . . 100.76 109.247 173.655 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.4 t -106.93 138.59 31.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.351 -0.981 . . . . 77.32 108.351 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -134.56 140.46 46.14 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.135 -0.484 . . . . 92.09 109.777 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.21 130.57 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.795 -0.817 . . . . 74.16 108.795 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.4 p -141.85 156.97 45.52 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.681 0.753 . . . . 85.2 109.13 173.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.76 113.59 37.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.757 -1.571 . . . . 86.74 106.757 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.1 t30 42.62 48.71 4.76 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 122.355 1.074 . . . . 104.93 110.527 -172.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.2 -15.93 57.03 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 116.097 1.199 . . . . 94.86 116.097 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -86.27 115.48 62.18 Favored Pre-proline 0 C--O 1.239 0.549 0 CA-C-N 118.77 1.285 . . . . 94.43 109.152 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -65.23 134.84 40.8 Favored 'Trans proline' 0 CA--C 1.519 -0.242 0 C-N-CA 120.674 0.916 . . . . 81.61 111.353 -178.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.9 m -79.12 168.91 18.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.857 0.836 . . . . 75.05 110.519 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -92.12 138.6 31.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.863 -0.792 . . . . 91.06 108.863 173.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.1 mt -114.76 139.51 49.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 72.13 110.878 -169.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.2 m -116.25 149.17 18.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.08 -1.452 . . . . 77.61 107.08 159.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.4 p -160.13 160.35 32.87 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.685 -0.806 . . . . 60.33 109.362 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.58 169.53 22.73 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.199 -1.408 . . . . 68.35 107.199 166.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -121.9 136.45 54.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.359 -0.837 . . . . 67.56 108.922 170.697 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 p -130.18 140.57 48.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 107.538 -1.282 . . . . 57.68 107.538 -178.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.7 mt -126.57 124.78 65.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.128 -1.064 . . . . 61.17 108.128 -174.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.9 mt -108.43 143.68 37.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.286 0.565 . . . . 52.54 110.521 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.9 t 38.14 38.37 0.2 Allowed 'General case' 0 C--O 1.239 0.529 0 C-N-CA 127.098 2.159 . . . . 81.06 111.822 -172.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.1 t30 61.88 13.9 5.88 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.061 1.345 . . . . 70.25 112.949 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -136.12 -40.88 0.66 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.775 1.028 . . . . 103.85 113.775 -174.582 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.3 tp -91.13 120.75 32.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.768 -0.583 . . . . 66.09 110.294 -173.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -113.21 133.4 55.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 64.84 110.796 -168.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.19 128.52 51.3 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.437 -0.949 . . . . 60.27 108.437 169.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -107.23 112.02 24.7 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.003 -1.851 . . . . 58.87 106.003 166.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.0 mt -105.12 142.44 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 122.761 0.424 . . . . 54.99 111.255 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.6 t -134.84 125.18 45.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.935 -0.394 . . . . 55.89 109.935 179.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.55 161.63 14.53 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 109.921 -1.271 . . . . 62.58 109.921 167.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' SER . . . . . 0.662 ' OG ' ' O ' ' A' ' 401' ' ' HOH . 1.2 t -153.61 137.03 15.82 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 117.518 0.659 . . . . 88.31 109.644 -173.127 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . 0.511 ' OE2' ' N ' ' A' ' 97' ' ' GLY . 14.2 tp10 -126.78 123.45 37.42 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.897 -0.592 . . . . 82.41 109.805 -176.873 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -101.5 -9.31 21.16 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.344 0.868 . . . . 77.05 113.344 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLY . . . . . 0.511 ' N ' ' OE2' ' A' ' 95' ' ' GLU . . . -151.52 -130.58 1.67 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 119.438 -1.363 . . . . 82.5 115.5 -177.345 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 t -93.06 -37.43 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.732 1.012 . . . . 100.69 113.732 -160.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.7 p-10 -79.15 -9.25 59.51 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.313 0.857 . . . . 82.9 113.313 -162.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 54.2 43.52 30.48 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.115 0.566 . . . . 80.14 112.157 176.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -87.37 -21.88 25.39 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.871 -0.732 . . . . 76.64 112.476 170.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 63.26 27.89 15.61 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.708 0.803 . . . . 72.14 112.582 170.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -119.55 13.91 12.64 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.538 -0.301 . . . . 69.54 111.161 176.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -62.09 -45.78 91.97 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.978 0.418 . . . . 69.0 110.092 -169.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -124.84 121.17 33.78 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.444 -1.317 . . . . 71.03 107.444 157.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.0 t -102.8 124.79 57.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 106.846 -1.538 . . . . 61.18 106.846 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 86.4 t -121.92 126.76 74.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 N-CA-C 108.322 -0.992 . . . . 63.16 108.322 -176.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.9 t -118.56 125.38 74.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.117 -0.697 . . . . 60.13 109.117 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.4 mt -113.23 126.33 70.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 N-CA-C 107.604 -1.258 . . . . 59.8 107.604 173.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -133.59 145.58 50.17 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.006 -0.368 . . . . 61.39 110.006 -176.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 12.2 p90 -161.87 160.68 22.23 Favored Pre-proline 0 C--O 1.245 0.834 0 N-CA-C 108.395 -0.965 . . . . 64.77 108.395 175.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -79.15 171.37 65.28 Favored 'Cis proline' 0 C--N 1.349 0.595 0 N-CA-C 113.498 0.538 . . . . 74.84 113.498 0.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.6 mt -107.18 -179.67 4.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.532 0.682 . . . . 69.18 109.537 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.495 0 CA-C-N 115.484 -0.78 . . . . 76.9 112.28 174.141 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ZDC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 401' ' ' HOH . . . . . 0.662 ' O ' ' OG ' ' A' ' 94' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 402' ' ' HOH . . . . . 0.516 ' O ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 403' ' ' HOH . . . . . 0.739 ' O ' ' N ' ' A' ' 34' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.593 0 CA-C-O 120.91 0.386 . . . . 71.38 111.767 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 m -59.47 139.0 57.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.98 -1.009 . . . . 66.94 110.734 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -135.96 160.61 38.08 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.407 -0.815 . . . . 73.27 108.845 179.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.34 11.62 84.09 Favored Glycine 0 C--O 1.24 0.525 0 N-CA-C 115.483 0.953 . . . . 65.42 115.483 -177.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -116.06 123.5 71.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 107.649 -1.241 . . . . 60.44 107.649 -176.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -135.9 129.01 31.62 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.345 -0.389 . . . . 66.84 110.299 -169.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.4 m -92.38 112.52 24.5 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.025 -0.732 . . . . 72.69 109.025 169.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -97.93 161.37 25.83 Favored Pre-proline 0 C--N 1.309 -1.174 0 C-N-CA 127.048 2.139 . . . . 77.6 110.175 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -62.85 138.54 69.31 Favored 'Trans proline' 0 C--O 1.235 0.327 0 N-CA-C 110.561 -0.592 . . . . 70.67 110.561 169.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 144.58 56.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.451 -0.795 . . . . 74.85 111.067 -175.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 59.42 42.56 17.68 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.551 -0.75 . . . . 93.36 111.207 170.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 m -121.82 139.08 54.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.171 -1.048 . . . . 74.06 108.171 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ARG . . . . . 0.516 ' O ' ' O ' ' A' ' 402' ' ' HOH . 5.0 mtm180 -76.95 140.55 40.5 Favored 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 119.681 -0.808 . . . . 85.92 109.788 173.29 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -137.85 154.23 49.52 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 108.662 -0.866 . . . . 73.06 108.662 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.33 145.41 17.75 Favored Glycine 0 C--O 1.241 0.586 0 N-CA-C 110.017 -1.233 . . . . 67.35 110.017 174.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.63 121.87 41.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 107.846 -1.168 . . . . 71.27 107.846 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' THR . . . . . 0.4 HG23 ' HB ' ' A' ' 52' ' ' THR . 5.5 m -130.23 137.42 50.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.454 -0.943 . . . . 75.06 108.454 -176.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.47 144.01 49.8 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.704 -0.68 . . . . 74.12 109.986 -175.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' CE2' HG12 ' A' ' 49' ' ' VAL . 28.2 m-85 -127.16 146.26 50.46 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.84 -0.8 . . . . 71.24 108.84 177.845 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.04 133.89 53.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.713 0.292 . . . . 76.07 110.338 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -139.27 79.78 1.74 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.465 -0.939 . . . . 86.07 108.465 169.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -166.97 160.5 14.28 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.055 -1.058 . . . . 87.7 111.172 -175.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -68.24 -29.11 67.86 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.561 -1.2 . . . . 100.06 110.962 164.886 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.15 134.03 12.25 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.916 -0.474 . . . . 82.75 111.916 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m -62.12 114.52 3.47 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.287 -0.634 . . . . 83.07 109.287 170.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -79.76 143.66 34.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.315 0.578 . . . . 85.32 110.06 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . 0.441 HG22 ' OG ' ' A' ' 41' ' ' SER . 63.5 p -130.33 101.3 5.7 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 105.395 -2.076 . . . . 107.03 105.395 174.404 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.12 128.88 54.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 N-CA-C 109.483 -0.562 . . . . 80.55 109.483 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -107.42 139.75 41.44 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.27 0.628 . . . . 118.69 109.482 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 t -117.47 108.71 25.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 107.401 -1.333 . . . . 75.64 107.401 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 mt -101.05 126.75 47.76 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.49 -0.323 . . . . 84.54 110.414 -177.696 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.4 t -110.12 126.89 67.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 107.492 -1.299 . . . . 84.38 107.492 170.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 50.4 43.11 26.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.401 0.619 . . . . 97.73 110.794 -174.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 61.77 5.09 1.22 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.907 1.077 . . . . 108.89 113.907 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . . . -96.82 133.65 41.14 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.562 -0.533 . . . . 84.85 109.562 171.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.8 m -60.25 123.05 16.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.482 -0.326 . . . . 87.71 110.528 176.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.37 -43.16 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.869 1.063 . . . . 76.78 113.869 -174.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.19 156.18 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.931 -0.766 . . . . 71.41 108.931 173.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -146.93 127.79 14.42 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.581 -0.736 . . . . 79.94 109.559 173.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -124.53 143.49 50.65 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.468 0.48 . . . . 79.78 110.213 -175.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' HG22 ' A' ' 27' ' ' THR . 0.8 OUTLIER -144.9 145.85 31.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.782 0.801 . . . . 97.46 110.831 172.098 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.85 164.29 29.4 Favored Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 108.323 -1.911 . . . . 99.25 108.323 175.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -126.04 128.88 48.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.611 -0.885 . . . . 75.78 108.611 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.8 t -159.72 146.6 16.45 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.15 -0.62 . . . . 76.94 109.653 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -111.14 18.04 19.76 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.879 -1.055 . . . . 72.55 111.278 167.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -135.38 33.21 3.05 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 111.564 0.209 . . . . 93.59 111.564 -176.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.6 t30 59.82 37.64 21.77 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.413 0.625 . . . . 73.47 111.35 172.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.91 143.58 50.91 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.592 -0.843 . . . . 66.17 110.054 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . 0.428 HG12 ' CE2' ' A' ' 19' ' ' PHE . 2.8 m -78.05 125.81 37.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 108.359 -0.978 . . . . 72.74 108.359 173.521 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.8 pt -99.22 4.4 10.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 112.194 0.442 . . . . 80.18 112.194 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.02 139.19 2.63 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 123.337 0.494 . . . . 69.1 112.379 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . 0.4 ' HB ' HG23 ' A' ' 17' ' ' THR . 15.0 t -141.36 134.68 29.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.302 -0.999 . . . . 83.34 108.302 172.294 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -155.14 155.32 33.76 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.581 0.705 . . . . 89.55 110.346 -171.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -105.64 122.74 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.83 -1.077 . . . . 73.24 108.126 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.6 mt -123.55 164.51 18.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.418 0.628 . . . . 71.76 109.848 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -105.2 132.62 51.18 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.028 -0.987 . . . . 81.22 109.414 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . 0.51 ' HB2' ' HA2' ' A' ' 61' ' ' GLY . 65.7 p -62.23 -12.83 22.5 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.545 0.572 . . . . 82.52 112.545 -178.342 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.87 -174.39 54.85 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.306 -0.949 . . . . 90.3 112.538 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.7 p -69.14 -31.76 70.64 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 119.377 -0.929 . . . . 99.65 111.524 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.5 p -93.6 -23.84 18.15 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 113.78 1.03 . . . . 84.02 113.78 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . 0.51 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 69.46 11.51 65.09 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 115.392 0.917 . . . . 86.42 115.392 -178.848 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -86.13 109.18 18.69 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.508 1.154 . . . . 86.3 108.65 178.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.9 t -106.03 129.5 59.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.642 -1.244 . . . . 70.91 107.642 173.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -126.03 135.55 51.91 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.247 -0.649 . . . . 100.76 109.247 173.655 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.4 t -106.93 138.59 31.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.351 -0.981 . . . . 77.32 108.351 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -134.56 140.46 46.14 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.135 -0.484 . . . . 92.09 109.777 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.21 130.57 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.795 -0.817 . . . . 74.16 108.795 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.4 p -141.85 156.97 45.52 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.681 0.753 . . . . 85.2 109.13 173.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.76 113.59 37.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.757 -1.571 . . . . 86.74 106.757 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.1 t30 42.62 48.71 4.76 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 122.355 1.074 . . . . 104.93 110.527 -172.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.2 -15.93 57.03 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 116.097 1.199 . . . . 94.86 116.097 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -86.27 115.48 62.18 Favored Pre-proline 0 C--O 1.239 0.549 0 CA-C-N 118.77 1.285 . . . . 94.43 109.152 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -65.23 134.84 40.8 Favored 'Trans proline' 0 CA--C 1.519 -0.242 0 C-N-CA 120.674 0.916 . . . . 81.61 111.353 -178.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.9 m -79.12 168.91 18.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.857 0.836 . . . . 75.05 110.519 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -92.12 138.6 31.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.863 -0.792 . . . . 91.06 108.863 173.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.1 mt -114.76 139.51 49.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 72.13 110.878 -169.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.2 m -116.25 149.17 18.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.08 -1.452 . . . . 77.61 107.08 159.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.4 p -160.13 160.35 32.87 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.685 -0.806 . . . . 60.33 109.362 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.58 169.53 22.73 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.199 -1.408 . . . . 68.35 107.199 166.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -121.9 136.45 54.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.359 -0.837 . . . . 67.56 108.922 170.697 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 p -130.18 140.57 48.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 107.538 -1.282 . . . . 57.68 107.538 -178.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.7 mt -126.57 124.78 65.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.128 -1.064 . . . . 61.17 108.128 -174.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.9 mt -108.43 143.68 37.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.286 0.565 . . . . 52.54 110.521 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.9 t 38.14 38.37 0.2 Allowed 'General case' 0 C--O 1.239 0.529 0 C-N-CA 127.098 2.159 . . . . 81.06 111.822 -172.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.1 t30 61.88 13.9 5.88 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.061 1.345 . . . . 70.25 112.949 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -136.12 -40.88 0.66 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.775 1.028 . . . . 103.85 113.775 -174.582 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.3 tp -91.13 120.75 32.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.768 -0.583 . . . . 66.09 110.294 -173.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -113.21 133.4 55.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 64.84 110.796 -168.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.19 128.52 51.3 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.437 -0.949 . . . . 60.27 108.437 169.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ALA . . . . . 0.576 ' HB3' ' HB ' ' A' ' 109' ' ' ILE . . . -107.23 112.02 24.7 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.003 -1.851 . . . . 58.87 106.003 166.039 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.0 mt -105.12 142.44 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 122.761 0.424 . . . . 54.99 111.255 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 107' ' ' VAL . 88.6 t -134.84 125.18 45.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.935 -0.394 . . . . 55.89 109.935 179.677 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.55 161.63 14.53 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 109.921 -1.271 . . . . 62.58 109.921 167.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' SER . . . . . 0.662 ' OG ' ' O ' ' A' ' 401' ' ' HOH . 1.2 t -153.61 137.03 15.82 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 117.518 0.659 . . . . 88.31 109.644 -173.127 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -126.78 123.45 37.42 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.897 -0.592 . . . . 82.41 109.805 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -101.5 -9.31 21.16 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.344 0.868 . . . . 77.05 113.344 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.52 -130.58 1.67 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 119.438 -1.363 . . . . 82.5 115.5 -177.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 t -93.06 -37.43 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.732 1.012 . . . . 100.69 113.732 -160.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ASP . . . . . 0.416 ' HB3' ' HE3' ' B' ' 4' ' ' DLY . 33.7 p-10 -79.15 -9.25 59.51 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.313 0.857 . . . . 82.9 113.313 -162.007 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 54.2 43.52 30.48 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.115 0.566 . . . . 80.14 112.157 176.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -87.37 -21.88 25.39 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.871 -0.732 . . . . 76.64 112.476 170.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 63.26 27.89 15.61 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.708 0.803 . . . . 72.14 112.582 170.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -119.55 13.91 12.64 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.538 -0.301 . . . . 69.54 111.161 176.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -62.09 -45.78 91.97 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.978 0.418 . . . . 69.0 110.092 -169.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 94' ' ' SER . . . -124.84 121.17 33.78 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.444 -1.317 . . . . 71.03 107.444 157.053 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.0 t -102.8 124.79 57.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 106.846 -1.538 . . . . 61.18 106.846 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 86.4 t -121.92 126.76 74.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 N-CA-C 108.322 -0.992 . . . . 63.16 108.322 -176.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.9 t -118.56 125.38 74.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.117 -0.697 . . . . 60.13 109.117 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ILE . . . . . 0.576 ' HB ' ' HB3' ' A' ' 90' ' ' ALA . 33.4 mt -113.23 126.33 70.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 N-CA-C 107.604 -1.258 . . . . 59.8 107.604 173.828 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -133.59 145.58 50.17 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.006 -0.368 . . . . 61.39 110.006 -176.917 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 12.2 p90 -161.87 160.68 22.23 Favored Pre-proline 0 C--O 1.245 0.834 0 N-CA-C 108.395 -0.965 . . . . 64.77 108.395 175.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -79.15 171.37 65.28 Favored 'Cis proline' 0 C--N 1.349 0.595 0 N-CA-C 113.498 0.538 . . . . 74.84 113.498 0.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.6 mt -107.18 -179.67 4.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.532 0.682 . . . . 69.18 109.537 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.495 0 CA-C-N 115.484 -0.78 . . . . 76.9 112.28 174.141 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' DLE . . . . . 0.44 HD12 ' HA ' ' B' ' 3' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' DLY . . . . . 0.416 ' HE3' ' HB3' ' A' ' 99' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 8' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 11' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 12' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 13' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 14' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ZDC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 401' ' ' HOH . . . . . 0.662 ' O ' ' OG ' ' A' ' 94' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 402' ' ' HOH . . . . . 0.516 ' O ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.593 0 CA-C-O 120.91 0.386 . . . . 71.38 111.767 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.2 m -59.47 139.0 57.49 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 114.98 -1.009 . . . . 66.94 110.734 -178.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.594 HE21 ' HA ' ' A' ' 77' ' ' VAL . 7.1 mm100 -135.96 160.61 38.08 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.407 -0.815 . . . . 73.27 108.845 179.247 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.34 11.62 84.09 Favored Glycine 0 C--O 1.24 0.525 0 N-CA-C 115.483 0.953 . . . . 65.42 115.483 -177.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 43.1 t -116.06 123.5 71.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 N-CA-C 107.649 -1.241 . . . . 60.44 107.649 -176.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -135.9 129.01 31.62 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.345 -0.389 . . . . 66.84 110.299 -169.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 72.4 m -92.38 112.52 24.5 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 109.025 -0.732 . . . . 72.69 109.025 169.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mp -97.93 161.37 25.83 Favored Pre-proline 0 C--N 1.309 -1.174 0 C-N-CA 127.048 2.139 . . . . 77.6 110.175 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -62.85 138.54 69.31 Favored 'Trans proline' 0 C--O 1.235 0.327 0 N-CA-C 110.561 -0.592 . . . . 70.67 110.561 169.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.61 144.58 56.9 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.451 -0.795 . . . . 74.85 111.067 -175.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 58.0 m-20 59.42 42.56 17.68 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.551 -0.75 . . . . 93.36 111.207 170.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 42.0 m -121.82 139.08 54.06 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 108.171 -1.048 . . . . 74.06 108.171 178.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.516 ' O ' ' O ' ' A' ' 402' ' ' HOH . 5.0 mtm180 -76.95 140.55 40.5 Favored 'General case' 0 CA--C 1.509 -0.622 0 C-N-CA 119.681 -0.808 . . . . 85.92 109.788 173.29 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 48.0 p90 -137.85 154.23 49.52 Favored 'General case' 0 CA--C 1.514 -0.411 0 N-CA-C 108.662 -0.866 . . . . 73.06 108.662 173.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.33 145.41 17.75 Favored Glycine 0 C--O 1.241 0.586 0 N-CA-C 110.017 -1.233 . . . . 67.35 110.017 174.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.3 p -133.63 121.87 41.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 107.846 -1.168 . . . . 71.27 107.846 177.485 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' THR . . . . . 0.4 HG23 ' HB ' ' A' ' 52' ' ' THR . 5.5 m -130.23 137.42 50.03 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 108.454 -0.943 . . . . 75.06 108.454 -176.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -123.47 144.01 49.8 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.704 -0.68 . . . . 74.12 109.986 -175.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.428 ' CE2' HG12 ' A' ' 49' ' ' VAL . 28.2 m-85 -127.16 146.26 50.46 Favored 'General case' 0 CA--C 1.518 -0.261 0 N-CA-C 108.84 -0.8 . . . . 71.24 108.84 177.845 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.04 133.89 53.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.713 0.292 . . . . 76.07 110.338 178.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -139.27 79.78 1.74 Allowed 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.465 -0.939 . . . . 86.07 108.465 169.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -166.97 160.5 14.28 Favored 'General case' 0 CA--C 1.517 -0.292 0 C-N-CA 119.055 -1.058 . . . . 87.7 111.172 -175.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -68.24 -29.11 67.86 Favored 'General case' 0 C--O 1.237 0.423 0 CA-C-N 114.561 -1.2 . . . . 100.06 110.962 164.886 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.15 134.03 12.25 Favored Glycine 0 N--CA 1.442 -0.912 0 N-CA-C 111.916 -0.474 . . . . 82.75 111.916 -175.054 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.3 m -62.12 114.52 3.47 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.287 -0.634 . . . . 83.07 109.287 170.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -79.76 143.66 34.29 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.315 0.578 . . . . 85.32 110.06 179.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . 0.441 HG22 ' OG ' ' A' ' 41' ' ' SER . 63.5 p -130.33 101.3 5.7 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 105.395 -2.076 . . . . 107.03 105.395 174.404 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -102.12 128.88 54.3 Favored 'Isoleucine or valine' 0 C--O 1.239 0.514 0 N-CA-C 109.483 -0.562 . . . . 80.55 109.483 -179.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -107.42 139.75 41.44 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 123.27 0.628 . . . . 118.69 109.482 175.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 19.7 t -117.47 108.71 25.4 Favored 'Isoleucine or valine' 0 C--O 1.238 0.476 0 N-CA-C 107.401 -1.333 . . . . 75.64 107.401 178.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.8 mt -101.05 126.75 47.76 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-N 116.49 -0.323 . . . . 84.54 110.414 -177.696 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 51.4 t -110.12 126.89 67.35 Favored 'Isoleucine or valine' 0 C--O 1.239 0.511 0 N-CA-C 107.492 -1.299 . . . . 84.38 107.492 170.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 50.4 43.11 26.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.401 0.619 . . . . 97.73 110.794 -174.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.3 m120 61.77 5.09 1.22 Allowed 'General case' 0 C--O 1.235 0.313 0 N-CA-C 113.907 1.077 . . . . 108.89 113.907 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . . . -96.82 133.65 41.14 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.562 -0.533 . . . . 84.85 109.562 171.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.8 m -60.25 123.05 16.03 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.482 -0.326 . . . . 87.71 110.528 176.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -114.37 -43.16 3.22 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.869 1.063 . . . . 76.78 113.869 -174.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.19 156.18 43.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.931 -0.766 . . . . 71.41 108.931 173.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -146.93 127.79 14.42 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.581 -0.736 . . . . 79.94 109.559 173.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -124.53 143.49 50.65 Favored 'General case' 0 CA--C 1.516 -0.348 0 O-C-N 123.468 0.48 . . . . 79.78 110.213 -175.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' HG22 ' A' ' 27' ' ' THR . 0.8 OUTLIER -144.9 145.85 31.76 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.782 0.801 . . . . 97.46 110.831 172.098 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 174.85 164.29 29.4 Favored Glycine 0 N--CA 1.434 -1.494 0 N-CA-C 108.323 -1.911 . . . . 99.25 108.323 175.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.5 tm0? -126.04 128.88 48.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.611 -0.885 . . . . 75.78 108.611 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 14.8 t -159.72 146.6 16.45 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.15 -0.62 . . . . 76.94 109.653 177.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 1.3 p -111.14 18.04 19.76 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 114.879 -1.055 . . . . 72.55 111.278 167.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -135.38 33.21 3.05 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 111.564 0.209 . . . . 93.59 111.564 -176.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 11.6 t30 59.82 37.64 21.77 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.413 0.625 . . . . 73.47 111.35 172.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.91 143.58 50.91 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 119.592 -0.843 . . . . 66.17 110.054 172.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.428 HG12 ' CE2' ' A' ' 19' ' ' PHE . 2.8 m -78.05 125.81 37.89 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 N-CA-C 108.359 -0.978 . . . . 72.74 108.359 173.521 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 17.8 pt -99.22 4.4 10.15 Favored 'Isoleucine or valine' 0 C--O 1.239 0.503 0 N-CA-C 112.194 0.442 . . . . 80.18 112.194 178.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 168.02 139.19 2.63 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 123.337 0.494 . . . . 69.1 112.379 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . 0.4 ' HB ' HG23 ' A' ' 17' ' ' THR . 15.0 t -141.36 134.68 29.57 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.302 -0.999 . . . . 83.34 108.302 172.294 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -155.14 155.32 33.76 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 121.581 0.705 . . . . 89.55 110.346 -171.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.1 t -105.64 122.74 59.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 114.83 -1.077 . . . . 73.24 108.126 175.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 48.6 mt -123.55 164.51 18.84 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.418 0.628 . . . . 71.76 109.848 178.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -105.2 132.62 51.18 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.028 -0.987 . . . . 81.22 109.414 173.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . 0.51 ' HB2' ' HA2' ' A' ' 61' ' ' GLY . 65.7 p -62.23 -12.83 22.5 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 112.545 0.572 . . . . 82.52 112.545 -178.342 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.87 -174.39 54.85 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.306 -0.949 . . . . 90.3 112.538 177.15 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.7 p -69.14 -31.76 70.64 Favored 'General case' 0 C--O 1.234 0.289 0 C-N-CA 119.377 -0.929 . . . . 99.65 111.524 -178.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 60.5 p -93.6 -23.84 18.15 Favored 'General case' 0 C--O 1.238 0.459 0 N-CA-C 113.78 1.03 . . . . 84.02 113.78 -176.066 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.51 ' HA2' ' HB2' ' A' ' 57' ' ' SER . . . 69.46 11.51 65.09 Favored Glycine 0 N--CA 1.449 -0.453 0 N-CA-C 115.392 0.917 . . . . 86.42 115.392 -178.848 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -86.13 109.18 18.69 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 118.508 1.154 . . . . 86.3 108.65 178.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 87.9 t -106.03 129.5 59.11 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 N-CA-C 107.642 -1.244 . . . . 70.91 107.642 173.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -126.03 135.55 51.91 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.247 -0.649 . . . . 100.76 109.247 173.655 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 64.4 t -106.93 138.59 31.97 Favored 'Isoleucine or valine' 0 C--O 1.24 0.556 0 N-CA-C 108.351 -0.981 . . . . 77.32 108.351 176.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 92.7 mt-30 -134.56 140.46 46.14 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 116.135 -0.484 . . . . 92.09 109.777 176.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.6 t -127.21 130.57 71.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 108.795 -0.817 . . . . 74.16 108.795 -178.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 26.4 p -141.85 156.97 45.52 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 121.681 0.753 . . . . 85.2 109.13 173.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.8 t -123.76 113.59 37.81 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 106.757 -1.571 . . . . 86.74 106.757 177.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.1 t30 42.62 48.71 4.76 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-O 122.355 1.074 . . . . 104.93 110.527 -172.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 89.2 -15.93 57.03 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 116.097 1.199 . . . . 94.86 116.097 172.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . . . -86.27 115.48 62.18 Favored Pre-proline 0 C--O 1.239 0.549 0 CA-C-N 118.77 1.285 . . . . 94.43 109.152 178.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -65.23 134.84 40.8 Favored 'Trans proline' 0 CA--C 1.519 -0.242 0 C-N-CA 120.674 0.916 . . . . 81.61 111.353 -178.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 28.9 m -79.12 168.91 18.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.857 0.836 . . . . 75.05 110.519 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -92.12 138.6 31.39 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.863 -0.792 . . . . 91.06 108.863 173.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 20.1 mt -114.76 139.51 49.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.996 -0.547 . . . . 72.13 110.878 -169.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.594 ' HA ' HE21 ' A' ' 3' ' ' GLN . 1.2 m -116.25 149.17 18.56 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 N-CA-C 107.08 -1.452 . . . . 77.61 107.08 159.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 75.4 p -160.13 160.35 32.87 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 119.685 -0.806 . . . . 60.33 109.362 -179.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -160.58 169.53 22.73 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 107.199 -1.408 . . . . 68.35 107.199 166.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -121.9 136.45 54.93 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.359 -0.837 . . . . 67.56 108.922 170.697 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 4.5 p -130.18 140.57 48.56 Favored 'Isoleucine or valine' 0 C--O 1.239 0.502 0 N-CA-C 107.538 -1.282 . . . . 57.68 107.538 -178.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 27.7 mt -126.57 124.78 65.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 N-CA-C 108.128 -1.064 . . . . 61.17 108.128 -174.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 26.9 mt -108.43 143.68 37.05 Favored 'General case' 0 C--O 1.236 0.366 0 CA-C-O 121.286 0.565 . . . . 52.54 110.521 179.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 14.9 t 38.14 38.37 0.2 Allowed 'General case' 0 C--O 1.239 0.529 0 C-N-CA 127.098 2.159 . . . . 81.06 111.822 -172.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 54.1 t30 61.88 13.9 5.88 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 125.061 1.345 . . . . 70.25 112.949 175.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -136.12 -40.88 0.66 Allowed 'General case' 0 C--O 1.235 0.301 0 N-CA-C 113.775 1.028 . . . . 103.85 113.775 -174.582 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 25.3 tp -91.13 120.75 32.33 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.768 -0.583 . . . . 66.09 110.294 -173.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -113.21 133.4 55.09 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 64.84 110.796 -168.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.6 m-85 -122.19 128.52 51.3 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.437 -0.949 . . . . 60.27 108.437 169.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.576 ' HB3' ' HB ' ' A' ' 109' ' ' ILE . . . -107.23 112.02 24.7 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 106.003 -1.851 . . . . 58.87 106.003 166.039 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.0 mt -105.12 142.44 34.91 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 122.761 0.424 . . . . 54.99 111.255 -172.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 107' ' ' VAL . 88.6 t -134.84 125.18 45.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.432 0 N-CA-C 109.935 -0.394 . . . . 55.89 109.935 179.677 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -105.55 161.63 14.53 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 109.921 -1.271 . . . . 62.58 109.921 167.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' SER . . . . . 0.662 ' OG ' ' O ' ' A' ' 401' ' ' HOH . 1.2 t -153.61 137.03 15.82 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 117.518 0.659 . . . . 88.31 109.644 -173.127 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -126.78 123.45 37.42 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 115.897 -0.592 . . . . 82.41 109.805 -176.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -101.5 -9.31 21.16 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 113.344 0.868 . . . . 77.05 113.344 -178.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -151.52 -130.58 1.67 Allowed Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 119.438 -1.363 . . . . 82.5 115.5 -177.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 4.9 t -93.06 -37.43 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.732 1.012 . . . . 100.69 113.732 -160.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.416 ' HB3' ' HE3' ' B' ' 4' ' ' DLY . 33.7 p-10 -79.15 -9.25 59.51 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.313 0.857 . . . . 82.9 113.313 -162.007 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 54.2 43.52 30.48 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.115 0.566 . . . . 80.14 112.157 176.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.4 p30 -87.37 -21.88 25.39 Favored 'General case' 0 C--O 1.236 0.368 0 C-N-CA 119.871 -0.732 . . . . 76.64 112.476 170.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 63.26 27.89 15.61 Favored 'General case' 0 N--CA 1.463 0.176 0 C-N-CA 123.708 0.803 . . . . 72.14 112.582 170.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.4 p-10 -119.55 13.91 12.64 Favored 'General case' 0 C--O 1.237 0.424 0 CA-C-N 116.538 -0.301 . . . . 69.54 111.161 176.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -62.09 -45.78 91.97 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.978 0.418 . . . . 69.0 110.092 -169.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' A' ' 94' ' ' SER . . . -124.84 121.17 33.78 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 107.444 -1.317 . . . . 71.03 107.444 157.053 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 69.0 t -102.8 124.79 57.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.545 0 N-CA-C 106.846 -1.538 . . . . 61.18 106.846 174.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.486 ' HB ' ' HB ' ' A' ' 92' ' ' VAL . 86.4 t -121.92 126.76 74.96 Favored 'Isoleucine or valine' 0 C--O 1.239 0.53 0 N-CA-C 108.322 -0.992 . . . . 63.16 108.322 -176.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.9 t -118.56 125.38 74.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.117 -0.697 . . . . 60.13 109.117 -179.638 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.576 ' HB ' ' HB3' ' A' ' 90' ' ' ALA . 33.4 mt -113.23 126.33 70.63 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 N-CA-C 107.604 -1.258 . . . . 59.8 107.604 173.828 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -133.59 145.58 50.17 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.006 -0.368 . . . . 61.39 110.006 -176.917 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' TRP . . . . . . . . . . . . . 12.2 p90 -161.87 160.68 22.23 Favored Pre-proline 0 C--O 1.245 0.834 0 N-CA-C 108.395 -0.965 . . . . 64.77 108.395 175.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -79.15 171.37 65.28 Favored 'Cis proline' 0 C--N 1.349 0.595 0 N-CA-C 113.498 0.538 . . . . 74.84 113.498 0.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 78.6 mt -107.18 -179.67 4.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.532 0.682 . . . . 69.18 109.537 179.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.24 0.495 0 CA-C-N 115.484 -0.78 . . . . 76.9 112.28 174.141 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' DLE . . . . . 0.44 HD12 ' HA ' ' B' ' 3' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' DLY . . . . . 0.416 ' HE3' ' HB3' ' A' ' 99' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' DLE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' DAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' DTY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' DLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ZDC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' NH2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 68.47 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 401' ' ' HOH . . . . . 0.662 ' O ' ' OG ' ' A' ' 94' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 402' ' ' HOH . . . . . 0.516 ' O ' ' O ' ' A' ' 13' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 403' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 404' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 405' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 406' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 407' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 408' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 409' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 410' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 411' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_