data_6yih_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 6yih _Structure_validation_residue.Date_analyzed 2020-05-08 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 ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 CA--C 1.533 0.47 0 N-CA-C 114.66 0.985 . . . . 147.54 114.66 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -74.02 146.94 43.37 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.269 0.557 . . . . 133.56 109.834 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LEU . . . . . 0.433 HD11 ' CD2' ' B' ' 71' ' ' LEU . 77.5 mt -65.03 147.94 98.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.873 -0.603 . . . . 115.46 110.801 -176.671 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.66 154.96 56.55 Favored 'Trans proline' 0 C--O 1.242 0.704 0 C-N-CA 120.264 0.643 . . . . 97.34 111.148 173.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.57 -39.53 88.03 Favored 'Trans proline' 0 C--O 1.237 0.468 0 N-CA-C 113.71 0.619 . . . . 84.05 113.71 -176.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.91 -28.84 70.11 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.149 -0.62 . . . . 68.59 111.958 -175.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 48.0 m0 -92.36 -15.91 26.68 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.441 0.904 . . . . 47.94 113.441 -177.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -59.7 -38.11 57.56 Favored Pre-proline 0 C--O 1.243 0.736 0 N-CA-C 113.605 0.965 . . . . 65.17 113.605 -176.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.32 -4.42 11.76 Favored 'Trans proline' 0 C--O 1.237 0.426 0 CA-C-N 121.122 1.437 . . . . 57.37 113.935 -178.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -64.48 -19.87 65.84 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.954 0.797 . . . . 60.11 112.253 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.2 mt -106.0 135.86 46.7 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.047 0.539 . . . . 74.52 109.756 -174.953 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -57.3 -39.54 75.98 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.525 -0.47 . . . . 65.45 111.427 -175.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -54.53 -49.88 69.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.707 -0.397 . . . . 82.87 111.213 -176.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -62.84 -30.48 71.53 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.068 -0.653 . . . . 72.83 111.256 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 79.4 mtm-85 -81.19 -2.42 48.56 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.069 0.766 . . . . 72.32 113.069 179.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 mt -104.7 -34.21 3.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 108.46 -0.941 . . . . 85.14 108.46 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -62.11 -17.69 58.51 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.745 -0.382 . . . . 79.05 111.948 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.4 t -67.84 -29.5 68.65 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.479 0.548 . . . . 83.54 112.479 -174.576 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -78.37 105.55 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.545 0.688 . . . . 106.31 110.317 -163.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -90.79 113.64 25.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.932 -1.136 . . . . 124.48 107.932 178.36 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 40.79 49.3 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.981 0.896 . . . . 100.78 111.075 176.228 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . 0.465 ' CD2' ' HD2' ' A' ' 26' ' ' PRO . 74.1 t-105 -59.01 134.16 87.43 Favored Pre-proline 0 C--O 1.239 0.518 0 CA-C-N 115.411 -0.813 . . . . 84.11 109.63 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' PRO . . . . . 0.465 ' HD2' ' CD2' ' A' ' 25' ' ' TRP . 11.9 Cg_endo -58.44 -28.55 85.61 Favored 'Trans proline' 0 C--O 1.239 0.564 0 N-CA-C 114.432 0.897 . . . . 72.46 114.432 -164.067 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -124.78 109.94 13.71 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.974 -0.75 . . . . 72.73 108.974 -176.045 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -102.69 -16.62 15.96 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.914 1.079 . . . . 76.94 113.914 -172.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . . . -162.0 160.67 27.93 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 118.807 0.73 . . . . 95.28 110.009 -177.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.79 18.56 80.1 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 114.934 -1.03 . . . . 91.0 115.386 171.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -153.96 170.43 21.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.191 0.995 . . . . 79.33 108.625 -179.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.61 -19.22 60.39 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.376 -0.829 . . . . 70.85 112.932 -175.725 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 t -109.5 73.01 0.83 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.989 0.899 . . . . 77.14 109.975 -173.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.7 p -102.37 161.13 24.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.384 -0.825 . . . . 73.04 110.457 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.9 -41.56 77.34 Favored 'Trans proline' 0 C--O 1.238 0.482 0 N-CA-C 113.111 0.389 . . . . 72.42 113.111 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -64.65 -52.39 57.61 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.94 -0.304 . . . . 89.04 111.225 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -60.13 -38.36 82.81 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.989 -0.684 . . . . 73.64 110.966 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.6 mmm -60.42 -41.34 93.76 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.173 -0.611 . . . . 64.38 110.935 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -40.0 65.4 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.377 -0.529 . . . . 58.41 111.309 -177.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . . . -58.92 -29.15 66.86 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.097 -0.641 . . . . 57.47 111.168 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.69 -4.24 48.12 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.807 0.669 . . . . 53.46 112.807 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.19 12.38 45.86 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 115.681 1.032 . . . . 48.36 115.681 174.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -94.24 159.37 15.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.294 1.047 . . . . 54.09 110.844 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.2 pt -129.29 153.65 38.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 107.279 -1.378 . . . . 51.82 107.279 168.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -82.8 122.99 28.92 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.083 -0.71 . . . . 59.74 109.083 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.2 m -125.51 62.92 42.74 Favored Pre-proline 0 C--O 1.235 0.292 0 C-N-CA 122.97 0.508 . . . . 102.87 109.734 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -82.71 142.96 11.69 Favored 'Trans proline' 0 C--N 1.33 -0.436 0 CA-C-O 121.671 0.613 . . . . 111.41 113.162 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 p -110.8 171.32 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.985 -1.117 . . . . 125.52 107.985 164.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -61.26 -34.41 75.12 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 119.098 -1.041 . . . . 157.3 111.633 174.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -82.74 -25.64 32.67 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.304 0.854 . . . . 163.9 113.304 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -122.52 78.3 46.4 Favored Pre-proline 0 C--O 1.241 0.62 0 N-CA-C 107.268 -1.382 . . . . 132.46 107.268 -174.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.97 -11.15 19.78 Favored 'Trans proline' 0 C--O 1.24 0.618 0 N-CA-C 114.215 0.813 . . . . 128.9 114.215 -175.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -117.87 10.63 13.26 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.835 0.68 . . . . 112.64 112.835 -177.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.72 127.35 32.45 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.696 0.68 . . . . 83.31 110.604 -176.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.88 144.63 50.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.688 -0.856 . . . . 62.94 108.688 176.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -132.4 138.57 47.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.928 -0.578 . . . . 64.14 109.893 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.3 t -75.27 127.29 32.83 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.469 -0.567 . . . . 60.98 109.469 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -65.41 -10.79 36.68 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.268 0.84 . . . . 68.23 113.268 -176.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -108.3 -47.05 3.59 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.902 0.704 . . . . 55.0 112.902 -172.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.6 p -95.03 -16.47 22.68 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 112.605 0.594 . . . . 60.12 112.605 174.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 64.07 22.12 12.81 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.481 0.713 . . . . 71.15 112.698 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -69.82 128.79 37.63 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.494 -0.558 . . . . 78.69 109.494 170.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -104.23 123.88 48.13 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.31 -0.626 . . . . 79.41 109.31 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.0 mt -126.72 142.59 51.5 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.926 -0.398 . . . . 65.46 109.926 -175.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -141.13 -179.2 5.96 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.07 -0.715 . . . . 80.82 109.07 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.72 38.75 94.81 Favored Glycine 0 C--O 1.238 0.36 0 C-N-CA 120.544 -0.836 . . . . 59.77 112.883 -178.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -68.21 136.34 53.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.335 0.588 . . . . 63.68 110.792 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -104.31 152.65 39.29 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 115.622 -0.717 . . . . 92.4 109.907 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.02 -45.62 39.66 Favored 'Trans proline' 0 C--O 1.238 0.522 0 N-CA-C 114.448 0.903 . . . . 83.92 114.448 -169.684 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -96.83 21.45 9.55 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.574 0.583 . . . . 85.72 112.574 -176.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -64.98 131.35 46.37 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.856 -0.794 . . . . 75.73 108.856 161.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -86.06 113.19 50.53 Favored Pre-proline 0 C--O 1.243 0.724 0 N-CA-C 107.627 -1.249 . . . . 75.98 107.627 171.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.7 -38.14 94.65 Favored 'Trans proline' 0 C--O 1.238 0.495 0 CA-C-N 119.851 0.983 . . . . 81.36 113.641 -177.341 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.8 -45.69 94.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.177 0.513 . . . . 98.02 110.432 -176.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -77.3 -26.88 52.69 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.841 -0.537 . . . . 92.88 111.73 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.04 -31.93 73.1 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.805 -0.758 . . . . 79.93 110.886 168.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -70.69 -51.01 30.48 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.636 0.255 . . . . 99.56 111.081 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . . . -56.74 -35.45 68.6 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.045 -0.662 . . . . 82.44 110.734 176.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -64.38 -58.5 6.29 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.008 0.432 . . . . 89.18 111.161 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -82.91 -10.61 58.73 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.657 0.984 . . . . 82.44 113.657 -169.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.0 p -156.74 74.33 0.8 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 123.003 1.382 . . . . 95.85 108.23 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -57.4 -37.86 73.39 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.198 -0.91 . . . . 99.68 111.7 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.98 -4.98 63.93 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 115.814 1.086 . . . . 89.21 115.814 -173.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 46.2 t -61.18 124.6 21.03 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.818 1.309 . . . . 77.35 110.077 -177.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.01 -16.63 62.06 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.413 0.523 . . . . 74.45 112.413 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.54 -40.61 79.24 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.518 -0.473 . . . . 81.25 111.456 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mp -73.58 -16.5 61.25 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.501 0.556 . . . . 86.5 112.501 -173.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -79.29 -16.21 56.75 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.459 0.54 . . . . 93.12 112.459 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 65.0 t -83.23 113.82 22.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 108.564 -0.902 . . . . 93.77 108.564 -174.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . . . -86.6 -24.51 25.35 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.374 -0.375 . . . . 86.14 111.974 176.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -69.7 159.26 33.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.991 0.901 . . . . 98.76 110.849 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -77.62 127.27 32.2 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.103 -0.953 . . . . 131.77 109.428 171.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.14 -27.19 68.21 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.272 -0.571 . . . . 98.42 111.846 -172.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -67.37 -15.96 63.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.341 0.497 . . . . 87.29 112.341 179.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -111.73 13.62 21.12 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.72 0.637 . . . . 88.82 112.72 -177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.65 147.89 50.4 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.5 0.667 . . . . 56.3 110.271 174.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.8 p -85.41 155.88 21.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.41 0.624 . . . . 56.72 109.348 170.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.2 tp -48.7 -47.15 41.25 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.705 -0.679 . . . . 47.65 110.927 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.62 -47.99 87.15 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.958 -1.115 . . . . 39.76 112.257 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -56.77 -48.14 78.52 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 122.174 -0.604 . . . . 53.96 110.929 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.71 -44.57 96.41 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.112 -0.635 . . . . 49.46 111.235 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.57 -30.27 65.67 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.707 -0.797 . . . . 48.69 111.796 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -61.93 -42.0 98.6 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.884 -0.726 . . . . 65.59 110.735 171.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.3 mt -69.72 -44.23 70.76 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.66 -0.416 . . . . 41.82 110.943 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -66.15 -28.21 68.61 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.552 -0.859 . . . . 48.79 111.823 -176.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -55.5 -43.8 75.99 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.906 -0.718 . . . . 53.81 110.45 171.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -69.78 -41.27 75.34 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.496 -0.882 . . . . 53.63 111.123 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -56.16 -52.1 65.6 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.952 -0.699 . . . . 68.23 110.707 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.61 67.07 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.065 0.46 . . . . 42.26 110.642 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -61.65 -38.11 86.53 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.177 -0.609 . . . . 68.88 111.29 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.4 -40.91 98.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.21 -0.596 . . . . 60.42 110.948 -176.104 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -75.97 -38.52 57.4 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.262 -0.575 . . . . 85.45 111.135 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.8 mt -60.99 -42.24 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.348 -0.941 . . . . 71.88 110.091 174.431 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.88 79.97 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.7 -0.8 . . . . 72.97 110.523 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -62.67 -55.83 23.26 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.027 0.441 . . . . 100.91 111.211 -176.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.3 -32.71 73.88 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.144 -0.623 . . . . 100.61 112.075 -172.591 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.9 p -74.72 -36.89 62.67 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.805 -0.758 . . . . 94.33 111.187 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -73.85 -35.74 64.82 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.308 -0.557 . . . . 93.58 111.628 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -57.46 -39.39 76.23 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.913 -0.715 . . . . 96.36 110.424 170.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -66.07 -34.48 78.17 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.451 -0.5 . . . . 104.51 111.18 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -64.77 -43.32 93.64 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.743 -0.783 . . . . 103.36 110.706 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -67.7 -36.99 81.67 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.571 -0.452 . . . . 104.74 111.261 -178.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.78 -40.89 94.3 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.769 -0.772 . . . . 117.22 110.616 177.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -65.73 -21.83 66.55 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.435 -0.506 . . . . 135.49 111.551 173.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.73 -47.22 14.28 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 117.8 0.273 . . . . 130.06 111.034 176.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . . . -62.43 -45.93 90.86 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.23 -0.588 . . . . 127.77 110.688 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.7 m -62.98 -34.1 76.81 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.509 -0.476 . . . . 139.7 111.339 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.87 -34.73 68.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.092 -1.043 . . . . 140.56 111.392 168.689 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . . . -78.3 -41.24 34.4 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.534 -1.266 . . . . 144.77 111.242 -172.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . . . -73.4 -34.77 65.69 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 112.561 0.578 . . . . 165.09 112.561 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.5 t -58.55 -32.42 45.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 118.749 -1.18 . . . . 230.24 109.643 165.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 301' ' ' HOH . 2.8 tmm_? -66.5 -39.0 88.47 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.587 -0.695 . . . . 249.28 110.103 175.882 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . . . -64.33 -40.77 96.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 123.081 0.552 . . . . 230.59 112.221 173.836 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.67 97.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.957 0.408 . . . . 251.25 111.287 171.703 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . . . -65.18 -24.91 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 118.878 -1.129 . . . . 235.24 110.528 166.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 132' ' ' ARG . . . -70.37 -42.04 72.31 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 121.163 -0.961 . . . . 234.4 110.192 -172.326 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . . . -91.96 69.36 5.42 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.324 -0.853 . . . . 227.91 109.981 173.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.182 0 CA-C-N 114.27 -1.332 . . . . 268.37 112.999 -175.644 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 120.677 0.275 . . . . 371.74 110.562 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . . . -61.6 -32.91 73.05 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.271 -0.572 . . . . 262.16 111.24 175.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . . . -61.33 -23.76 65.96 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.429 -0.508 . . . . 264.76 111.711 171.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . . . -76.94 -37.93 54.34 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.645 -0.422 . . . . 254.21 111.74 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -102.82 -13.76 16.87 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.242 0.83 . . . . 323.85 113.242 -177.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.83 68.64 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.919 -0.712 . . . . 258.18 110.876 172.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 59.1 p -50.76 -52.54 39.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.665 -0.414 . . . . 223.15 111.168 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . . . -67.21 -23.59 65.75 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 118.782 -1.167 . . . . 207.25 111.617 -173.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' LEU . . . . . 0.451 ' N ' HD23 ' B' ' 25' ' ' LEU . 6.6 mt -84.72 -12.61 53.44 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.208 0.458 . . . . 237.46 112.05 176.04 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . . . -57.87 -38.48 75.81 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 118.051 0.387 . . . . 199.83 110.845 163.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -81.43 -25.78 35.88 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 112.026 0.38 . . . . 169.5 112.026 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.32 -54.53 23.63 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.17 0.51 . . . . 184.36 109.756 175.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -49.15 -33.52 12.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 119.757 -0.777 . . . . 193.64 112.043 164.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . . . -66.34 -32.56 74.03 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 117.13 -1.828 . . . . 189.02 110.723 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -97.14 -25.45 15.31 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 115.029 1.492 . . . . 178.82 115.029 -171.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' VAL . . . . . 0.4 HG13 ' N ' ' B' ' 33' ' ' GLU . 2.9 p -64.67 -47.32 89.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-N 119.608 1.094 . . . . 197.4 110.387 174.73 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLU . . . . . 0.4 ' N ' HG13 ' B' ' 32' ' ' VAL . 5.8 mm-40 -67.74 -37.35 82.04 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 121.734 -0.604 . . . . 161.25 110.867 177.907 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.37 -48.98 83.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.31 0.576 . . . . 141.52 110.026 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -73.46 -29.79 62.77 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.619 -0.432 . . . . 130.7 111.757 -176.657 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 3.6 mm -63.83 -41.63 93.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.218 -0.593 . . . . 114.43 110.436 -179.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -72.19 -27.79 62.79 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.211 -0.596 . . . . 108.03 111.474 -179.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -71.73 -39.32 70.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.191 -0.604 . . . . 105.52 110.95 174.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.82 -52.09 59.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.243 0.544 . . . . 96.93 110.058 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -62.19 -39.1 91.62 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.418 -0.513 . . . . 93.79 111.126 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.4 t -66.45 -42.12 88.06 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.92 -0.712 . . . . 87.34 111.027 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -62.33 -38.46 89.57 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.078 -0.649 . . . . 90.25 110.677 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -60.64 -48.07 83.43 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.87 0.366 . . . . 80.44 111.098 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -66.16 -42.73 88.61 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.036 -0.666 . . . . 76.72 111.19 -175.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.2 -31.35 72.52 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.026 -0.67 . . . . 87.3 111.54 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.89 -43.78 87.24 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.046 -0.662 . . . . 62.82 111.016 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.41 -41.47 98.71 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.589 -0.445 . . . . 59.54 111.367 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -76.53 -22.24 54.66 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.94 -0.704 . . . . 106.76 112.38 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -67.56 -43.97 79.38 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.97 -0.692 . . . . 72.64 110.77 172.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.11 -43.4 98.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 120.475 -0.49 . . . . 51.82 110.252 175.784 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -52.05 -54.08 34.41 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 121.942 -0.474 . . . . 63.65 110.914 173.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.43 -48.45 81.61 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.518 -0.473 . . . . 63.37 111.155 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.24 -39.09 85.47 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.888 -0.725 . . . . 53.57 111.465 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -66.57 -40.86 89.2 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.552 -0.859 . . . . 43.41 110.779 178.226 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.03 -30.14 64.89 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.595 -0.442 . . . . 51.5 111.862 -175.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.94 -46.67 95.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 120.102 -0.639 . . . . 56.88 110.058 172.677 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -65.83 -37.09 85.31 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.039 -0.664 . . . . 50.47 110.903 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.01 -47.26 88.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.199 0.523 . . . . 46.2 110.216 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.72 -17.92 61.57 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.364 0.505 . . . . 49.89 112.364 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.11 -24.04 58.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.551 0.574 . . . . 62.82 112.551 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.29 132.51 55.81 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 109.886 -0.413 . . . . 56.21 109.886 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -62.95 158.96 40.48 Favored 'Trans proline' 0 C--N 1.331 -0.372 0 CA-C-O 121.996 0.748 . . . . 49.54 111.379 173.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' B' ' 67' ' ' GLU . 3.1 tttt -56.32 -46.21 79.96 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.221 -0.899 . . . . 66.03 111.579 -175.937 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.73 81.28 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.578 -0.849 . . . . 41.83 111.206 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.72 -39.83 66.64 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.5 -0.48 . . . . 54.61 111.116 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ARG . . . . . 0.566 ' NH2' ' O ' ' B' ' 103' ' ' HOH . 15.2 ttm180 -63.64 -21.97 66.66 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.241 0.46 . . . . 86.04 112.241 -178.807 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' B' ' 63' ' ' LYS . 1.9 mt-10 -94.39 8.64 41.27 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.562 0.579 . . . . 101.82 112.562 -177.598 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 14.9 mmt -88.84 160.27 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 145.0 110.408 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -65.71 138.89 58.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.37 -0.832 . . . . 68.22 110.369 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -70.51 -37.08 74.1 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.043 -0.663 . . . . 49.8 111.376 -174.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' LEU . . . . . 0.433 ' CD2' HD11 ' A' ' 6' ' ' LEU . 16.9 mt -63.95 -42.18 97.39 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.927 -0.709 . . . . 51.96 111.462 178.951 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -73.1 -33.63 65.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.306 -0.558 . . . . 64.71 112.078 -176.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -66.04 -39.07 89.87 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.204 -0.599 . . . . 48.24 111.251 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -80.93 -9.49 59.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.698 0.629 . . . . 49.24 112.698 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.27 0.24 53.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.781 0.66 . . . . 65.27 112.781 175.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 118.436 0.562 . . . . 73.55 109.962 175.323 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.317 -0.313 . . . . 60.9 112.317 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.56 -43.32 60.01 Favored 'Trans proline' 0 N--CA 1.475 0.42 0 O-C-N 122.652 0.817 . . . . 53.37 113.562 -176.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -64.44 -23.08 32.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 120.467 -0.493 . . . . 49.55 111.972 -173.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -77.68 -10.52 59.57 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.844 0.683 . . . . 69.0 112.844 -178.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.72 -31.69 71.87 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.536 -0.466 . . . . 60.65 111.502 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 50.0 mt -65.15 -49.44 69.86 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.284 -0.566 . . . . 51.52 111.024 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -68.7 -42.21 78.05 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.236 -0.585 . . . . 66.93 111.16 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.59 -49.27 76.96 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.459 -0.496 . . . . 61.78 111.037 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 60.9 m -70.77 -38.57 73.46 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.462 -0.495 . . . . 66.06 111.392 -176.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -66.76 -24.75 66.24 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.173 -0.611 . . . . 68.55 111.223 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -75.97 -41.37 51.61 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 121.041 -0.264 . . . . 94.47 111.445 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -72.01 -29.57 64.33 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.489 -0.484 . . . . 74.19 111.527 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 39.2 tp -66.73 -47.74 71.34 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.484 -0.486 . . . . 103.36 110.743 173.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 4.0 ttp -59.24 -48.06 83.03 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.687 -0.405 . . . . 104.89 110.979 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -52.56 -52.84 53.05 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.553 -0.459 . . . . 102.83 110.777 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -50.43 -47.79 56.51 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.931 0.396 . . . . 80.47 110.856 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.12 -36.74 85.24 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.521 -0.471 . . . . 94.94 111.451 -176.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -78.88 -28.73 44.12 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.387 0.514 . . . . 113.0 112.387 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -67.77 -35.55 78.9 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.77 -0.772 . . . . 124.02 111.493 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' MET . . . . . . . . . . . . . 6.7 mtp -80.09 -34.66 37.83 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.326 -0.55 . . . . 163.98 111.692 174.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.18 -44.43 52.88 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.037 0.446 . . . . 129.67 110.721 171.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.26 15.7 28.5 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.124 0.787 . . . . 133.7 113.124 -171.861 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . . . -139.78 -65.84 0.46 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 118.303 0.501 . . . . 141.41 110.234 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -67.05 -41.91 85.7 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.262 -0.575 . . . . 150.58 111.598 -176.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' LEU . . . . . . . . . . . . . 1.7 mp -80.71 -35.01 34.11 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.289 -0.564 . . . . 142.51 112.367 -176.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.89 -31.65 36.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 C-N-CA 119.404 -0.918 . . . . 156.47 110.247 174.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 33' ' ' TRP . . . . . 0.489 ' CE3' HD22 ' C' ' 34' ' ' LEU . 79.5 t90 -67.86 -28.96 67.99 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 121.995 -0.441 . . . . 145.18 111.081 179.328 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' LEU . . . . . 0.489 HD22 ' CE3' ' C' ' 33' ' ' TRP . 5.0 mt -67.68 -41.91 82.93 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.545 -0.462 . . . . 151.82 110.89 169.601 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . . . -65.85 -38.54 89.14 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.433 -0.507 . . . . 154.54 111.085 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 36' ' ' GLU . . . . . . . . . . . . . . . -62.62 -42.46 99.6 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.683 -0.407 . . . . 168.82 111.521 -171.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 pt -94.17 -2.95 10.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.207 0.817 . . . . 206.08 113.207 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -69.04 -34.54 75.37 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 118.448 -1.301 . . . . 175.85 110.47 170.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . . . -75.18 -42.13 56.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 123.629 0.771 . . . . 184.25 111.37 172.142 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -51.06 -32.91 23.56 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.63 -0.828 . . . . 183.85 110.808 165.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.67 66.94 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.452 0.168 . . . . 178.76 110.884 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . . . -64.92 -31.82 73.25 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.194 0.597 . . . . 205.43 112.523 -178.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -40.59 82.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.43 -0.508 . . . . 198.32 111.172 178.118 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 44' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 120.894 0.378 . . . . 193.98 110.39 176.778 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.707 0.289 . . . . 79.03 110.378 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -132.07 150.68 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 97.65 110.086 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -73.69 104.64 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.957 -0.565 . . . . 125.8 110.908 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -72.87 126.21 29.39 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.68 -0.489 . . . . 171.47 109.68 174.404 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' THR . . . . . . . . . . . . . 5.8 p -89.12 141.13 28.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.211 -0.45 . . . . 220.74 110.834 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.796 -0.638 . . . . 262.17 110.508 -179.115 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.533 ' O ' ' NH2' ' A' ' 132' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . 0.566 ' O ' ' NH2' ' B' ' 66' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 CA--C 1.533 0.47 0 N-CA-C 114.66 0.985 . . . . 122.91 114.66 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -74.02 146.94 43.37 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.269 0.557 . . . . 111.26 109.834 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LEU . . . . . 0.425 HD11 ' CD2' ' B' ' 71' ' ' LEU . 77.5 mt -65.03 147.94 98.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.873 -0.603 . . . . 96.18 110.801 -176.671 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.66 154.96 56.55 Favored 'Trans proline' 0 C--O 1.242 0.704 0 C-N-CA 120.264 0.643 . . . . 83.1 111.148 173.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.57 -39.53 88.03 Favored 'Trans proline' 0 C--O 1.237 0.468 0 N-CA-C 113.71 0.619 . . . . 71.22 113.71 -176.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.91 -28.84 70.11 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.149 -0.62 . . . . 57.12 111.958 -175.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 48.0 m0 -92.36 -15.91 26.68 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.441 0.904 . . . . 41.77 113.441 -177.243 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -59.7 -38.11 57.56 Favored Pre-proline 0 C--O 1.243 0.736 0 N-CA-C 113.605 0.965 . . . . 54.89 113.605 -176.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.32 -4.42 11.76 Favored 'Trans proline' 0 C--O 1.237 0.426 0 CA-C-N 121.122 1.437 . . . . 47.77 113.935 -178.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -64.48 -19.87 65.84 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.954 0.797 . . . . 54.28 112.253 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 ' HG3' ' A' ' 94' ' ' GLU . 35.2 mt -106.0 135.86 46.7 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.047 0.539 . . . . 62.06 109.756 -174.953 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -57.3 -39.54 75.98 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.525 -0.47 . . . . 54.94 111.427 -175.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -54.53 -49.88 69.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.707 -0.397 . . . . 78.12 111.213 -176.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -62.84 -30.48 71.53 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.068 -0.653 . . . . 60.65 111.256 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 21' ' ' THR . 79.4 mtm-85 -81.19 -2.42 48.56 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.069 0.766 . . . . 70.94 113.069 179.347 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 mt -104.7 -34.21 3.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 108.46 -0.941 . . . . 70.92 108.46 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -62.11 -17.69 58.51 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.745 -0.382 . . . . 65.84 111.948 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . 0.635 HG23 ' CD1' ' A' ' 22' ' ' PHE . 1.4 t -67.84 -29.5 68.65 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.479 0.548 . . . . 74.51 112.479 -174.576 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . 0.635 ' CD1' HG23 ' A' ' 21' ' ' THR . 54.1 m-85 -78.37 105.55 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.545 0.688 . . . . 88.55 110.317 -163.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -90.79 113.64 25.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.932 -1.136 . . . . 103.7 107.932 178.36 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 40.79 49.3 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.981 0.896 . . . . 84.21 111.075 176.228 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . 0.463 ' CD2' ' HD2' ' A' ' 26' ' ' PRO . 74.1 t-105 -59.01 134.16 87.43 Favored Pre-proline 0 C--O 1.239 0.518 0 CA-C-N 115.411 -0.813 . . . . 70.05 109.63 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 25' ' ' TRP . 11.9 Cg_endo -58.44 -28.55 85.61 Favored 'Trans proline' 0 C--O 1.239 0.564 0 N-CA-C 114.432 0.897 . . . . 64.48 114.432 -164.067 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -124.78 109.94 13.71 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.974 -0.75 . . . . 60.57 108.974 -176.045 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -102.69 -16.62 15.96 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.914 1.079 . . . . 64.07 113.914 -172.688 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . . . -162.0 160.67 27.93 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 118.807 0.73 . . . . 80.84 110.009 -177.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.79 18.56 80.1 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 114.934 -1.03 . . . . 75.8 115.386 171.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -153.96 170.43 21.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.191 0.995 . . . . 66.07 108.625 -179.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.61 -19.22 60.39 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.376 -0.829 . . . . 59.01 112.932 -175.725 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 t -109.5 73.01 0.83 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.989 0.899 . . . . 64.25 109.975 -173.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.7 p -102.37 161.13 24.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.384 -0.825 . . . . 60.83 110.457 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.9 -41.56 77.34 Favored 'Trans proline' 0 C--O 1.238 0.482 0 N-CA-C 113.111 0.389 . . . . 60.31 113.111 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -64.65 -52.39 57.61 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.94 -0.304 . . . . 82.55 111.225 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -60.13 -38.36 82.81 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.989 -0.684 . . . . 61.32 110.966 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.6 mmm -60.42 -41.34 93.76 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.173 -0.611 . . . . 53.61 110.935 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -40.0 65.4 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.377 -0.529 . . . . 48.64 111.309 -177.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . . . -58.92 -29.15 66.86 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.097 -0.641 . . . . 48.77 111.168 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.69 -4.24 48.12 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.807 0.669 . . . . 44.51 112.807 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.19 12.38 45.86 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 115.681 1.032 . . . . 40.52 115.681 174.2 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -94.24 159.37 15.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.294 1.047 . . . . 45.04 110.844 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.2 pt -129.29 153.65 38.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 107.279 -1.378 . . . . 43.58 107.279 168.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -82.8 122.99 28.92 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.083 -0.71 . . . . 57.37 109.083 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.2 m -125.51 62.92 42.74 Favored Pre-proline 0 C--O 1.235 0.292 0 C-N-CA 122.97 0.508 . . . . 85.68 109.734 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -82.71 142.96 11.69 Favored 'Trans proline' 0 C--N 1.33 -0.436 0 CA-C-O 121.671 0.613 . . . . 98.88 113.162 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 p -110.8 171.32 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.985 -1.117 . . . . 107.25 107.985 164.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -61.26 -34.41 75.12 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 119.098 -1.041 . . . . 139.95 111.633 174.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -82.74 -25.64 32.67 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.304 0.854 . . . . 136.54 113.304 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -122.52 78.3 46.4 Favored Pre-proline 0 C--O 1.241 0.62 0 N-CA-C 107.268 -1.382 . . . . 110.34 107.268 -174.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.97 -11.15 19.78 Favored 'Trans proline' 0 C--O 1.24 0.618 0 N-CA-C 114.215 0.813 . . . . 107.38 114.215 -175.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -117.87 10.63 13.26 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.835 0.68 . . . . 94.86 112.835 -177.482 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.72 127.35 32.45 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.696 0.68 . . . . 69.39 110.604 -176.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.88 144.63 50.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.688 -0.856 . . . . 52.41 108.688 176.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -132.4 138.57 47.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.928 -0.578 . . . . 54.56 109.893 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.3 t -75.27 127.29 32.83 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.469 -0.567 . . . . 58.03 109.469 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -65.41 -10.79 36.68 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.268 0.84 . . . . 56.82 113.268 -176.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -108.3 -47.05 3.59 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.902 0.704 . . . . 45.8 112.902 -172.296 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.6 p -95.03 -16.47 22.68 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 112.605 0.594 . . . . 50.06 112.605 174.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 64.07 22.12 12.81 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.481 0.713 . . . . 59.26 112.698 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -69.82 128.79 37.63 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.494 -0.558 . . . . 65.53 109.494 170.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -104.23 123.88 48.13 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.31 -0.626 . . . . 71.84 109.31 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.0 mt -126.72 142.59 51.5 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.926 -0.398 . . . . 54.51 109.926 -175.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -141.13 -179.2 5.96 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.07 -0.715 . . . . 75.41 109.07 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.72 38.75 94.81 Favored Glycine 0 C--O 1.238 0.36 0 C-N-CA 120.544 -0.836 . . . . 50.76 112.883 -178.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -68.21 136.34 53.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.335 0.588 . . . . 59.72 110.792 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -104.31 152.65 39.29 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 115.622 -0.717 . . . . 91.65 109.907 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.02 -45.62 39.66 Favored 'Trans proline' 0 C--O 1.238 0.522 0 N-CA-C 114.448 0.903 . . . . 69.9 114.448 -169.684 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -96.83 21.45 9.55 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.574 0.583 . . . . 80.23 112.574 -176.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -64.98 131.35 46.37 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.856 -0.794 . . . . 66.81 108.856 161.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -86.06 113.19 50.53 Favored Pre-proline 0 C--O 1.243 0.724 0 N-CA-C 107.627 -1.249 . . . . 69.71 107.627 171.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.7 -38.14 94.65 Favored 'Trans proline' 0 C--O 1.238 0.495 0 CA-C-N 119.851 0.983 . . . . 67.76 113.641 -177.341 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.8 -45.69 94.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.177 0.513 . . . . 81.64 110.432 -176.495 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -77.3 -26.88 52.69 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.841 -0.537 . . . . 78.99 111.73 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.04 -31.93 73.1 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.805 -0.758 . . . . 67.37 110.886 168.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -70.69 -51.01 30.48 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.636 0.255 . . . . 83.85 111.081 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . . . -56.74 -35.45 68.6 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.045 -0.662 . . . . 69.2 110.734 176.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -64.38 -58.5 6.29 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.008 0.432 . . . . 74.28 111.161 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -82.91 -10.61 58.73 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.657 0.984 . . . . 71.29 113.657 -169.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.0 p -156.74 74.33 0.8 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 123.003 1.382 . . . . 79.84 108.23 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -57.4 -37.86 73.39 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.198 -0.91 . . . . 83.03 111.7 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.98 -4.98 63.93 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 115.814 1.086 . . . . 74.3 115.814 -173.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 46.2 t -61.18 124.6 21.03 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.818 1.309 . . . . 68.37 110.077 -177.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.01 -16.63 62.06 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.413 0.523 . . . . 66.04 112.413 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.54 -40.61 79.24 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.518 -0.473 . . . . 67.67 111.456 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mp -73.58 -16.5 61.25 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.501 0.556 . . . . 73.52 112.501 -173.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -79.29 -16.21 56.75 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.459 0.54 . . . . 77.56 112.459 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 65.0 t -83.23 113.82 22.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 108.564 -0.902 . . . . 78.1 108.564 -174.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . . . -86.6 -24.51 25.35 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.374 -0.375 . . . . 73.17 111.974 176.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -69.7 159.26 33.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.991 0.901 . . . . 82.26 110.849 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -77.62 127.27 32.2 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.103 -0.953 . . . . 110.98 109.428 171.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.14 -27.19 68.21 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.272 -0.571 . . . . 81.98 111.846 -172.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . 0.487 ' HG3' HD22 ' A' ' 14' ' ' LEU . 22.3 mp0 -67.37 -15.96 63.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.341 0.497 . . . . 72.7 112.341 179.661 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -111.73 13.62 21.12 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.72 0.637 . . . . 85.01 112.72 -177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.65 147.89 50.4 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.5 0.667 . . . . 46.87 110.271 174.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.8 p -85.41 155.88 21.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.41 0.624 . . . . 47.23 109.348 170.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.2 tp -48.7 -47.15 41.25 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.705 -0.679 . . . . 39.67 110.927 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.62 -47.99 87.15 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.958 -1.115 . . . . 37.06 112.257 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -56.77 -48.14 78.52 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 122.174 -0.604 . . . . 51.52 110.929 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.71 -44.57 96.41 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.112 -0.635 . . . . 41.18 111.235 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.57 -30.27 65.67 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.707 -0.797 . . . . 40.54 111.796 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -61.93 -42.0 98.6 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.884 -0.726 . . . . 54.62 110.735 171.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.3 mt -69.72 -44.23 70.76 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.66 -0.416 . . . . 37.38 110.943 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -66.15 -28.21 68.61 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.552 -0.859 . . . . 46.63 111.823 -176.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -55.5 -43.8 75.99 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.906 -0.718 . . . . 44.8 110.45 171.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -69.78 -41.27 75.34 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.496 -0.882 . . . . 53.63 111.123 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -56.16 -52.1 65.6 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.952 -0.699 . . . . 56.82 110.707 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.61 67.07 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.065 0.46 . . . . 38.19 110.642 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -61.65 -38.11 86.53 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.177 -0.609 . . . . 57.36 111.29 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.4 -40.91 98.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.21 -0.596 . . . . 50.76 110.948 -176.104 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -75.97 -38.52 57.4 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.262 -0.575 . . . . 71.17 111.135 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . 0.658 ' CD1' HG21 ' B' ' 50' ' ' VAL . 44.8 mt -60.99 -42.24 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.348 -0.941 . . . . 59.86 110.091 174.431 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.88 79.97 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.7 -0.8 . . . . 67.95 110.523 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -62.67 -55.83 23.26 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.027 0.441 . . . . 84.05 111.211 -176.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.3 -32.71 73.88 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.144 -0.623 . . . . 91.27 112.075 -172.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.9 p -74.72 -36.89 62.67 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.805 -0.758 . . . . 78.57 111.187 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -73.85 -35.74 64.82 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.308 -0.557 . . . . 77.94 111.628 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -57.46 -39.39 76.23 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.913 -0.715 . . . . 87.23 110.424 170.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -66.07 -34.48 78.17 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.451 -0.5 . . . . 88.48 111.18 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -64.77 -43.32 93.64 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.743 -0.783 . . . . 92.36 110.706 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -67.7 -36.99 81.67 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.571 -0.452 . . . . 88.44 111.261 -178.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.78 -40.89 94.3 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.769 -0.772 . . . . 106.53 110.616 177.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' PHE . . . . . 0.519 ' HD1' HD12 ' C' ' 31' ' ' LEU . 67.5 t80 -65.73 -21.83 66.55 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.435 -0.506 . . . . 112.87 111.551 173.335 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' GLU . . . . . 0.401 ' HG3' HD11 ' B' ' 36' ' ' ILE . 26.8 mt-10 -80.73 -47.22 14.28 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 117.8 0.273 . . . . 109.19 111.034 176.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . . . -62.43 -45.93 90.86 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.23 -0.588 . . . . 114.31 110.688 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.7 m -62.98 -34.1 76.81 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.509 -0.476 . . . . 128.93 111.339 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.87 -34.73 68.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.092 -1.043 . . . . 121.84 111.392 168.689 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . . . -78.3 -41.24 34.4 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.534 -1.266 . . . . 126.33 111.242 -172.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . . . -73.4 -34.77 65.69 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 112.561 0.578 . . . . 152.77 112.561 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.5 t -58.55 -32.42 45.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 118.749 -1.18 . . . . 191.83 109.643 165.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 301' ' ' HOH . 2.8 tmm_? -66.5 -39.0 88.47 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.587 -0.695 . . . . 207.69 110.103 175.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . . . -64.33 -40.77 96.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 123.081 0.552 . . . . 204.19 112.221 173.836 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.67 97.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.957 0.408 . . . . 209.34 111.287 171.703 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . . . -65.18 -24.91 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 118.878 -1.129 . . . . 206.71 110.528 166.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 132' ' ' ARG . . . -70.37 -42.04 72.31 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 121.163 -0.961 . . . . 199.19 110.192 -172.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . . . -91.96 69.36 5.42 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.324 -0.853 . . . . 203.82 109.981 173.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.182 0 CA-C-N 114.27 -1.332 . . . . 253.03 112.999 -175.644 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 120.677 0.275 . . . . 309.74 110.562 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . . . -61.6 -32.91 73.05 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.271 -0.572 . . . . 218.43 111.24 175.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . . . -61.33 -23.76 65.96 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.429 -0.508 . . . . 227.7 111.711 171.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . . . -76.94 -37.93 54.34 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.645 -0.422 . . . . 211.8 111.74 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -102.82 -13.76 16.87 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.242 0.83 . . . . 269.83 113.242 -177.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.83 68.64 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.919 -0.712 . . . . 215.11 110.876 172.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 59.1 p -50.76 -52.54 39.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.665 -0.414 . . . . 185.92 111.168 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . . . -67.21 -23.59 65.75 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 118.782 -1.167 . . . . 172.67 111.617 -173.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' LEU . . . . . 0.449 ' N ' HD23 ' B' ' 25' ' ' LEU . 6.6 mt -84.72 -12.61 53.44 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.208 0.458 . . . . 197.84 112.05 176.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . . . -57.87 -38.48 75.81 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 118.051 0.387 . . . . 178.38 110.845 163.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -81.43 -25.78 35.88 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 112.026 0.38 . . . . 142.43 112.026 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.32 -54.53 23.63 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.17 0.51 . . . . 153.6 109.756 175.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -49.15 -33.52 12.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 119.757 -0.777 . . . . 165.84 112.043 164.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . . . -66.34 -32.56 74.03 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 117.13 -1.828 . . . . 163.1 110.723 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -97.14 -25.45 15.31 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 115.029 1.492 . . . . 148.98 115.029 -171.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.67 -47.32 89.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-N 119.608 1.094 . . . . 164.46 110.387 174.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.74 -37.35 82.04 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 121.734 -0.604 . . . . 134.33 110.867 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.37 -48.98 83.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.31 0.576 . . . . 117.89 110.026 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -73.46 -29.79 62.77 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.619 -0.432 . . . . 108.88 111.757 -176.657 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' ILE . . . . . 0.401 HD11 ' HG3' ' A' ' 125' ' ' GLU . 3.6 mm -63.83 -41.63 93.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.218 -0.593 . . . . 95.32 110.436 -179.148 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -72.19 -27.79 62.79 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.211 -0.596 . . . . 89.99 111.474 -179.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -71.73 -39.32 70.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.191 -0.604 . . . . 87.89 110.95 174.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.82 -52.09 59.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.243 0.544 . . . . 80.74 110.058 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -62.19 -39.1 91.62 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.418 -0.513 . . . . 83.01 111.126 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.4 t -66.45 -42.12 88.06 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.92 -0.712 . . . . 74.28 111.027 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -62.33 -38.46 89.57 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.078 -0.649 . . . . 75.4 110.677 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -60.64 -48.07 83.43 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.87 0.366 . . . . 67.0 111.098 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -66.16 -42.73 88.61 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.036 -0.666 . . . . 65.54 111.19 -175.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.2 -31.35 72.52 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.026 -0.67 . . . . 79.16 111.54 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.89 -43.78 87.24 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.046 -0.662 . . . . 52.31 111.016 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.41 -41.47 98.71 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.589 -0.445 . . . . 49.58 111.367 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -76.53 -22.24 54.66 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.94 -0.704 . . . . 88.93 112.38 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -67.56 -43.97 79.38 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.97 -0.692 . . . . 72.64 110.77 172.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' VAL . . . . . 0.658 HG21 ' CD1' ' A' ' 113' ' ' ILE . 40.3 t -63.11 -43.4 98.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 120.475 -0.49 . . . . 43.15 110.252 175.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -52.05 -54.08 34.41 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 121.942 -0.474 . . . . 63.65 110.914 173.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.43 -48.45 81.61 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.518 -0.473 . . . . 52.77 111.155 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.24 -39.09 85.47 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.888 -0.725 . . . . 44.61 111.465 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -66.57 -40.86 89.2 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.552 -0.859 . . . . 36.14 110.779 178.226 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.03 -30.14 64.89 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.595 -0.442 . . . . 44.71 111.862 -175.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.94 -46.67 95.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 120.102 -0.639 . . . . 47.37 110.058 172.677 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -65.83 -37.09 85.31 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.039 -0.664 . . . . 42.43 110.903 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.01 -47.26 88.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.199 0.523 . . . . 42.13 110.216 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.72 -17.92 61.57 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.364 0.505 . . . . 41.54 112.364 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.11 -24.04 58.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.551 0.574 . . . . 52.31 112.551 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.29 132.51 55.81 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 109.886 -0.413 . . . . 46.8 109.886 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -62.95 158.96 40.48 Favored 'Trans proline' 0 C--N 1.331 -0.372 0 CA-C-O 121.996 0.748 . . . . 44.07 111.379 173.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' B' ' 67' ' ' GLU . 3.1 tttt -56.32 -46.21 79.96 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.221 -0.899 . . . . 54.99 111.579 -175.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.73 81.28 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.578 -0.849 . . . . 35.34 111.206 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.72 -39.83 66.64 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.5 -0.48 . . . . 46.73 111.116 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ARG . . . . . 0.566 ' NH2' ' O ' ' B' ' 103' ' ' HOH . 15.2 ttm180 -63.64 -21.97 66.66 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.241 0.46 . . . . 71.66 112.241 -178.807 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 63' ' ' LYS . 1.9 mt-10 -94.39 8.64 41.27 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.562 0.579 . . . . 85.16 112.562 -177.598 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 14.9 mmt -88.84 160.27 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 120.79 110.408 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -65.71 138.89 58.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.37 -0.832 . . . . 56.82 110.369 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -70.51 -37.08 74.1 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.043 -0.663 . . . . 41.63 111.376 -174.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' LEU . . . . . 0.425 ' CD2' HD11 ' A' ' 6' ' ' LEU . 16.9 mt -63.95 -42.18 97.39 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.927 -0.709 . . . . 43.26 111.462 178.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -73.1 -33.63 65.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.306 -0.558 . . . . 64.71 112.078 -176.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -66.04 -39.07 89.87 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.204 -0.599 . . . . 40.16 111.251 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -80.93 -9.49 59.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.698 0.629 . . . . 41.0 112.698 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.27 0.24 53.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.781 0.66 . . . . 59.42 112.781 175.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 118.436 0.562 . . . . 67.91 109.962 175.323 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.317 -0.313 . . . . 53.04 112.317 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.56 -43.32 60.01 Favored 'Trans proline' 0 N--CA 1.475 0.42 0 O-C-N 122.652 0.817 . . . . 45.3 113.562 -176.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -64.44 -23.08 32.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 120.467 -0.493 . . . . 41.26 111.972 -173.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -77.68 -10.52 59.57 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.844 0.683 . . . . 59.3 112.844 -178.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.72 -31.69 71.87 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.536 -0.466 . . . . 50.51 111.502 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 50.0 mt -65.15 -49.44 69.86 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.284 -0.566 . . . . 42.9 111.024 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -68.7 -42.21 78.05 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.236 -0.585 . . . . 65.85 111.16 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.59 -49.27 76.96 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.459 -0.496 . . . . 55.71 111.037 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 60.9 m -70.77 -38.57 73.46 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.462 -0.495 . . . . 55.01 111.392 -176.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -66.76 -24.75 66.24 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.173 -0.611 . . . . 62.42 111.223 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -75.97 -41.37 51.61 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 121.041 -0.264 . . . . 79.28 111.445 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -72.01 -29.57 64.33 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.489 -0.484 . . . . 64.26 111.527 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 39.2 tp -66.73 -47.74 71.34 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.484 -0.486 . . . . 86.09 110.743 173.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 4.0 ttp -59.24 -48.06 83.03 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.687 -0.405 . . . . 87.37 110.979 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -52.56 -52.84 53.05 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.553 -0.459 . . . . 93.39 110.777 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -50.43 -47.79 56.51 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.931 0.396 . . . . 70.08 110.856 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.12 -36.74 85.24 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.521 -0.471 . . . . 81.0 111.451 -176.403 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -78.88 -28.73 44.12 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.387 0.514 . . . . 98.71 112.387 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -67.77 -35.55 78.9 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.77 -0.772 . . . . 113.08 111.493 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' MET . . . . . . . . . . . . . 6.7 mtp -80.09 -34.66 37.83 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.326 -0.55 . . . . 136.61 111.692 174.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.18 -44.43 52.88 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.037 0.446 . . . . 112.07 110.721 171.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.26 15.7 28.5 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.124 0.787 . . . . 114.46 113.124 -171.861 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . . . -139.78 -65.84 0.46 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 118.303 0.501 . . . . 127.87 110.234 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -67.05 -41.91 85.7 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.262 -0.575 . . . . 127.01 111.598 -176.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' LEU . . . . . 0.519 HD12 ' HD1' ' A' ' 124' ' ' PHE . 1.7 mp -80.71 -35.01 34.11 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.289 -0.564 . . . . 118.72 112.367 -176.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.89 -31.65 36.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 C-N-CA 119.404 -0.918 . . . . 130.35 110.247 174.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 33' ' ' TRP . . . . . 0.658 ' CE3' HD23 ' C' ' 34' ' ' LEU . 79.5 t90 -67.86 -28.96 67.99 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 121.995 -0.441 . . . . 122.57 111.081 179.328 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 34' ' ' LEU . . . . . 0.658 HD23 ' CE3' ' C' ' 33' ' ' TRP . 5.0 mt -67.68 -41.91 82.93 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.545 -0.462 . . . . 128.36 110.89 169.601 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . . . -65.85 -38.54 89.14 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.433 -0.507 . . . . 135.02 111.085 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 36' ' ' GLU . . . . . . . . . . . . . . . -62.62 -42.46 99.6 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.683 -0.407 . . . . 150.14 111.521 -171.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 pt -94.17 -2.95 10.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.207 0.817 . . . . 171.69 113.207 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -69.04 -34.54 75.37 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 118.448 -1.301 . . . . 147.35 110.47 170.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . . . -75.18 -42.13 56.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 123.629 0.771 . . . . 162.1 111.37 172.142 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -51.06 -32.91 23.56 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.63 -0.828 . . . . 153.43 110.808 165.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.67 66.94 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.452 0.168 . . . . 154.32 110.884 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . . . -64.92 -31.82 73.25 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.194 0.597 . . . . 186.29 112.523 -178.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -40.59 82.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.43 -0.508 . . . . 165.23 111.172 178.118 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 44' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 120.894 0.378 . . . . 167.35 110.39 176.778 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.707 0.289 . . . . 65.82 110.378 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -132.07 150.68 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 81.34 110.086 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -73.69 104.64 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.957 -0.565 . . . . 122.14 110.908 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -72.87 126.21 29.39 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.68 -0.489 . . . . 150.47 109.68 174.404 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' THR . . . . . . . . . . . . . 5.8 p -89.12 141.13 28.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.211 -0.45 . . . . 191.87 110.834 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.796 -0.638 . . . . 246.84 110.508 -179.115 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.533 ' O ' ' NH2' ' A' ' 132' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . 0.566 ' O ' ' NH2' ' B' ' 66' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo . . . . . 0 CA--C 1.533 0.47 0 N-CA-C 114.66 0.985 . . . . 122.91 114.66 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.7 m -74.02 146.94 43.37 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.269 0.557 . . . . 111.26 109.834 173.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.425 HD11 ' CD2' ' B' ' 71' ' ' LEU . 77.5 mt -65.03 147.94 98.16 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 115.873 -0.603 . . . . 96.18 110.801 -176.671 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -61.66 154.96 56.55 Favored 'Trans proline' 0 C--O 1.242 0.704 0 C-N-CA 120.264 0.643 . . . . 83.1 111.148 173.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.57 -39.53 88.03 Favored 'Trans proline' 0 C--O 1.237 0.468 0 N-CA-C 113.71 0.619 . . . . 71.22 113.71 -176.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.91 -28.84 70.11 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.149 -0.62 . . . . 57.12 111.958 -175.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' TRP . . . . . . . . . . . . . 48.0 m0 -92.36 -15.91 26.68 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 113.441 0.904 . . . . 41.77 113.441 -177.243 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -59.7 -38.11 57.56 Favored Pre-proline 0 C--O 1.243 0.736 0 N-CA-C 113.605 0.965 . . . . 54.89 113.605 -176.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -67.32 -4.42 11.76 Favored 'Trans proline' 0 C--O 1.237 0.426 0 CA-C-N 121.122 1.437 . . . . 47.77 113.935 -178.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -64.48 -19.87 65.84 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 118.954 0.797 . . . . 54.28 112.253 178.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 ' HG3' ' A' ' 94' ' ' GLU . 35.2 mt -106.0 135.86 46.7 Favored 'General case' 0 C--O 1.236 0.351 0 C-N-CA 123.047 0.539 . . . . 62.06 109.756 -174.953 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . . . -57.3 -39.54 75.98 Favored 'General case' 0 C--O 1.237 0.402 0 C-N-CA 120.525 -0.47 . . . . 54.94 111.427 -175.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -54.53 -49.88 69.2 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.707 -0.397 . . . . 78.12 111.213 -176.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 42.1 t-80 -62.84 -30.48 71.53 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.068 -0.653 . . . . 60.65 111.256 177.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.407 ' O ' HG22 ' A' ' 21' ' ' THR . 79.4 mtm-85 -81.19 -2.42 48.56 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 113.069 0.766 . . . . 70.94 113.069 179.347 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.0 mt -104.7 -34.21 3.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.445 0 N-CA-C 108.46 -0.941 . . . . 70.92 108.46 176.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -62.11 -17.69 58.51 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.745 -0.382 . . . . 65.84 111.948 173.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . 0.635 HG23 ' CD1' ' A' ' 22' ' ' PHE . 1.4 t -67.84 -29.5 68.65 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 112.479 0.548 . . . . 74.51 112.479 -174.576 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.635 ' CD1' HG23 ' A' ' 21' ' ' THR . 54.1 m-85 -78.37 105.55 9.7 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.545 0.688 . . . . 88.55 110.317 -163.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mttm -90.79 113.64 25.82 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.932 -1.136 . . . . 103.7 107.932 178.36 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 40.79 49.3 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.981 0.896 . . . . 84.21 111.075 176.228 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.463 ' CD2' ' HD2' ' A' ' 26' ' ' PRO . 74.1 t-105 -59.01 134.16 87.43 Favored Pre-proline 0 C--O 1.239 0.518 0 CA-C-N 115.411 -0.813 . . . . 70.05 109.63 177.407 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.463 ' HD2' ' CD2' ' A' ' 25' ' ' TRP . 11.9 Cg_endo -58.44 -28.55 85.61 Favored 'Trans proline' 0 C--O 1.239 0.564 0 N-CA-C 114.432 0.897 . . . . 64.48 114.432 -164.067 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -124.78 109.94 13.71 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.974 -0.75 . . . . 60.57 108.974 -176.045 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 16.5 mt -102.69 -16.62 15.96 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 113.914 1.079 . . . . 64.07 113.914 -172.688 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . . . -162.0 160.67 27.93 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 118.807 0.73 . . . . 80.84 110.009 -177.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 74.79 18.56 80.1 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 114.934 -1.03 . . . . 75.8 115.386 171.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 31.7 p -153.96 170.43 21.08 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 118.191 0.995 . . . . 66.07 108.625 -179.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.61 -19.22 60.39 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.376 -0.829 . . . . 59.01 112.932 -175.725 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 36.2 t -109.5 73.01 0.83 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.989 0.899 . . . . 64.25 109.975 -173.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 75.7 p -102.37 161.13 24.26 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.384 -0.825 . . . . 60.83 110.457 177.071 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -54.9 -41.56 77.34 Favored 'Trans proline' 0 C--O 1.238 0.482 0 N-CA-C 113.111 0.389 . . . . 60.31 113.111 178.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -64.65 -52.39 57.61 Favored 'General case' 0 C--O 1.237 0.442 0 C-N-CA 120.94 -0.304 . . . . 82.55 111.225 -179.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . . . -60.13 -38.36 82.81 Favored 'General case' 0 C--O 1.238 0.456 0 C-N-CA 119.989 -0.684 . . . . 61.32 110.966 178.08 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.6 mmm -60.42 -41.34 93.76 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 120.173 -0.611 . . . . 53.61 110.935 177.275 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.07 -40.0 65.4 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.377 -0.529 . . . . 48.64 111.309 -177.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . . . -58.92 -29.15 66.86 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.097 -0.641 . . . . 48.77 111.168 177.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.69 -4.24 48.12 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 112.807 0.669 . . . . 44.51 112.807 175.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 98.19 12.38 45.86 Favored Glycine 0 N--CA 1.445 -0.728 0 N-CA-C 115.681 1.032 . . . . 40.52 115.681 174.2 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 75.5 m-85 -94.24 159.37 15.16 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.294 1.047 . . . . 45.04 110.844 -178.484 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 41.2 pt -129.29 153.65 38.99 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 N-CA-C 107.279 -1.378 . . . . 43.58 107.279 168.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 13.2 t-160 -82.8 122.99 28.92 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.083 -0.71 . . . . 57.37 109.083 177.821 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 73.2 m -125.51 62.92 42.74 Favored Pre-proline 0 C--O 1.235 0.292 0 C-N-CA 122.97 0.508 . . . . 85.68 109.734 179.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -82.71 142.96 11.69 Favored 'Trans proline' 0 C--N 1.33 -0.436 0 CA-C-O 121.671 0.613 . . . . 98.88 113.162 -171.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 p -110.8 171.32 7.53 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 107.985 -1.117 . . . . 107.25 107.985 164.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . . . -61.26 -34.41 75.12 Favored 'General case' 0 C--O 1.231 0.119 0 C-N-CA 119.098 -1.041 . . . . 139.95 111.633 174.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -82.74 -25.64 32.67 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 113.304 0.854 . . . . 136.54 113.304 178.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -122.52 78.3 46.4 Favored Pre-proline 0 C--O 1.241 0.62 0 N-CA-C 107.268 -1.382 . . . . 110.34 107.268 -174.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -75.97 -11.15 19.78 Favored 'Trans proline' 0 C--O 1.24 0.618 0 N-CA-C 114.215 0.813 . . . . 107.38 114.215 -175.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -117.87 10.63 13.26 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.835 0.68 . . . . 94.86 112.835 -177.482 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 42.7 tp -67.72 127.35 32.45 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 118.696 0.68 . . . . 69.39 110.604 -176.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -125.88 144.63 50.59 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.688 -0.856 . . . . 52.41 108.688 176.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -132.4 138.57 47.73 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.928 -0.578 . . . . 54.56 109.893 179.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.3 t -75.27 127.29 32.83 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 109.469 -0.567 . . . . 58.03 109.469 173.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -65.41 -10.79 36.68 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.268 0.84 . . . . 56.82 113.268 -176.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -108.3 -47.05 3.59 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 112.902 0.704 . . . . 45.8 112.902 -172.296 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.6 p -95.03 -16.47 22.68 Favored 'General case' 0 C--O 1.234 0.272 0 N-CA-C 112.605 0.594 . . . . 50.06 112.605 174.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 64.07 22.12 12.81 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 123.481 0.713 . . . . 59.26 112.698 178.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 43.2 tptt -69.82 128.79 37.63 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.494 -0.558 . . . . 65.53 109.494 170.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -104.23 123.88 48.13 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 109.31 -0.626 . . . . 71.84 109.31 -175.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 78.0 mt -126.72 142.59 51.5 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 109.926 -0.398 . . . . 54.51 109.926 -175.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -141.13 -179.2 5.96 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 109.07 -0.715 . . . . 75.41 109.07 -178.273 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 65.72 38.75 94.81 Favored Glycine 0 C--O 1.238 0.36 0 C-N-CA 120.544 -0.836 . . . . 50.76 112.883 -178.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 90.5 m95 -68.21 136.34 53.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.335 0.588 . . . . 59.72 110.792 -176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -104.31 152.65 39.29 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 115.622 -0.717 . . . . 91.65 109.907 173.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.02 -45.62 39.66 Favored 'Trans proline' 0 C--O 1.238 0.522 0 N-CA-C 114.448 0.903 . . . . 69.9 114.448 -169.684 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -96.83 21.45 9.55 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.574 0.583 . . . . 80.23 112.574 -176.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -64.98 131.35 46.37 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 108.856 -0.794 . . . . 66.81 108.856 161.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -86.06 113.19 50.53 Favored Pre-proline 0 C--O 1.243 0.724 0 N-CA-C 107.627 -1.249 . . . . 69.71 107.627 171.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.7 -38.14 94.65 Favored 'Trans proline' 0 C--O 1.238 0.495 0 CA-C-N 119.851 0.983 . . . . 67.76 113.641 -177.341 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 52.8 mt -64.8 -45.69 94.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 CA-C-O 121.177 0.513 . . . . 81.64 110.432 -176.495 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -77.3 -26.88 52.69 Favored 'General case' 0 C--O 1.236 0.36 0 O-C-N 121.841 -0.537 . . . . 78.99 111.73 -177.253 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 19.7 mm-40 -66.04 -31.93 73.1 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.805 -0.758 . . . . 67.37 110.886 168.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -70.69 -51.01 30.48 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 120.636 0.255 . . . . 83.85 111.081 178.316 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . . . -56.74 -35.45 68.6 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 120.045 -0.662 . . . . 69.2 110.734 176.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 20.4 tttt -64.38 -58.5 6.29 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.008 0.432 . . . . 74.28 111.161 -179.425 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 21.0 m80 -82.91 -10.61 58.73 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 113.657 0.984 . . . . 71.29 113.657 -169.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.0 p -156.74 74.33 0.8 Allowed 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 123.003 1.382 . . . . 79.84 108.23 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.2 t -57.4 -37.86 73.39 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-N 115.198 -0.91 . . . . 83.03 111.7 -178.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.98 -4.98 63.93 Favored Glycine 0 N--CA 1.45 -0.397 0 N-CA-C 115.814 1.086 . . . . 74.3 115.814 -173.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 46.2 t -61.18 124.6 21.03 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 118.818 1.309 . . . . 68.37 110.077 -177.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.01 -16.63 62.06 Favored 'General case' 0 C--O 1.237 0.397 0 N-CA-C 112.413 0.523 . . . . 66.04 112.413 -179.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 69.7 t80 -57.54 -40.61 79.24 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 120.518 -0.473 . . . . 67.67 111.456 -177.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mp -73.58 -16.5 61.25 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 112.501 0.556 . . . . 73.52 112.501 -173.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.6 m -79.29 -16.21 56.75 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 112.459 0.54 . . . . 77.56 112.459 178.509 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 65.0 t -83.23 113.82 22.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 108.564 -0.902 . . . . 78.1 108.564 -174.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . . . -86.6 -24.51 25.35 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 116.374 -0.375 . . . . 73.17 111.974 176.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 4.5 tttt -69.7 159.26 33.82 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.991 0.901 . . . . 82.26 110.849 -177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -77.62 127.27 32.2 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-N 115.103 -0.953 . . . . 110.98 109.428 171.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -61.14 -27.19 68.21 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.272 -0.571 . . . . 81.98 111.846 -172.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.487 ' HG3' HD22 ' A' ' 14' ' ' LEU . 22.3 mp0 -67.37 -15.96 63.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.341 0.497 . . . . 72.7 112.341 179.661 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -111.73 13.62 21.12 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 112.72 0.637 . . . . 85.01 112.72 -177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 13.4 mt -63.65 147.89 50.4 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.5 0.667 . . . . 46.87 110.271 174.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.8 p -85.41 155.88 21.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.41 0.624 . . . . 47.23 109.348 170.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 45.2 tp -48.7 -47.15 41.25 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-N 115.705 -0.679 . . . . 39.67 110.927 -179.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -61.62 -47.99 87.15 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.958 -1.115 . . . . 37.06 112.257 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -56.77 -48.14 78.52 Favored 'General case' 0 C--O 1.236 0.385 0 O-C-N 122.174 -0.604 . . . . 51.52 110.929 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -60.71 -44.57 96.41 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.112 -0.635 . . . . 41.18 111.235 -176.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 24.5 mt -71.57 -30.27 65.67 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 119.707 -0.797 . . . . 40.54 111.796 -175.097 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 24.8 mttt -61.93 -42.0 98.6 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 119.884 -0.726 . . . . 54.62 110.735 171.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 60.3 mt -69.72 -44.23 70.76 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.66 -0.416 . . . . 37.38 110.943 177.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -66.15 -28.21 68.61 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 119.552 -0.859 . . . . 46.63 111.823 -176.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 45.5 ttp180 -55.5 -43.8 75.99 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.906 -0.718 . . . . 44.8 110.45 171.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -69.78 -41.27 75.34 Favored 'General case' 0 C--O 1.238 0.448 0 C-N-CA 119.496 -0.882 . . . . 53.63 111.123 179.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.4 ttp85 -56.16 -52.1 65.6 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 119.952 -0.699 . . . . 56.82 110.707 174.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -53.47 -49.61 67.07 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.065 0.46 . . . . 38.19 110.642 179.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 46.9 mtpt -61.65 -38.11 86.53 Favored 'General case' 0 C--O 1.237 0.433 0 C-N-CA 120.177 -0.609 . . . . 57.36 111.29 177.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -62.4 -40.91 98.02 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 120.21 -0.596 . . . . 50.76 110.948 -176.104 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.5 ttpt -75.97 -38.52 57.4 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.262 -0.575 . . . . 71.17 111.135 -176.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.658 ' CD1' HG21 ' B' ' 50' ' ' VAL . 44.8 mt -60.99 -42.24 92.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 119.348 -0.941 . . . . 59.86 110.091 174.431 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.88 79.97 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.7 -0.8 . . . . 67.95 110.523 -177.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 12.8 ttpp -62.67 -55.83 23.26 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.027 0.441 . . . . 84.05 111.211 -176.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -67.3 -32.71 73.88 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.144 -0.623 . . . . 91.27 112.075 -172.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.9 p -74.72 -36.89 62.67 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 119.805 -0.758 . . . . 78.57 111.187 179.55 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -73.85 -35.74 64.82 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.308 -0.557 . . . . 77.94 111.628 179.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -57.46 -39.39 76.23 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 119.913 -0.715 . . . . 87.23 110.424 170.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -66.07 -34.48 78.17 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.451 -0.5 . . . . 88.48 111.18 176.461 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -64.77 -43.32 93.64 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 119.743 -0.783 . . . . 92.36 110.706 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -67.7 -36.99 81.67 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.571 -0.452 . . . . 88.44 111.261 -178.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -60.78 -40.89 94.3 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 119.769 -0.772 . . . . 106.53 110.616 177.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.519 ' HD1' HD12 ' C' ' 31' ' ' LEU . 67.5 t80 -65.73 -21.83 66.55 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.435 -0.506 . . . . 112.87 111.551 173.335 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' GLU . . . . . 0.401 ' HG3' HD11 ' B' ' 36' ' ' ILE . 26.8 mt-10 -80.73 -47.22 14.28 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 117.8 0.273 . . . . 109.19 111.034 176.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . . . -62.43 -45.93 90.86 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.23 -0.588 . . . . 114.31 110.688 176.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 34.7 m -62.98 -34.1 76.81 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 120.509 -0.476 . . . . 128.93 111.339 177.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -56.87 -34.73 68.13 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 119.092 -1.043 . . . . 121.84 111.392 168.689 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . . . -78.3 -41.24 34.4 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 118.534 -1.266 . . . . 126.33 111.242 -172.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . . . -73.4 -34.77 65.69 Favored 'General case' 0 CA--C 1.518 -0.286 0 N-CA-C 112.561 0.578 . . . . 152.77 112.561 -179.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' VAL . . . . . . . . . . . . . 15.5 t -58.55 -32.42 45.84 Favored 'Isoleucine or valine' 0 C--O 1.239 0.529 0 C-N-CA 118.749 -1.18 . . . . 191.83 109.643 165.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.533 ' NH2' ' O ' ' A' ' 301' ' ' HOH . 2.8 tmm_? -66.5 -39.0 88.47 Favored 'General case' 0 C--O 1.239 0.55 0 O-C-N 121.587 -0.695 . . . . 207.69 110.103 175.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . . . -64.33 -40.77 96.55 Favored 'General case' 0 CA--C 1.519 -0.245 0 C-N-CA 123.081 0.552 . . . . 204.19 112.221 173.836 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -63.92 -41.67 97.59 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.957 0.408 . . . . 209.34 111.287 171.703 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . . . -65.18 -24.91 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 C-N-CA 118.878 -1.129 . . . . 206.71 110.528 166.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 132' ' ' ARG . . . -70.37 -42.04 72.31 Favored 'General case' 0 C--O 1.247 0.93 0 O-C-N 121.163 -0.961 . . . . 199.19 110.192 -172.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLN . . . . . . . . . . . . . . . -91.96 69.36 5.42 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 115.324 -0.853 . . . . 203.82 109.981 173.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.182 0 CA-C-N 114.27 -1.332 . . . . 253.03 112.999 -175.644 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 120.677 0.275 . . . . 309.74 110.562 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . . . -61.6 -32.91 73.05 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 120.271 -0.572 . . . . 218.43 111.24 175.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ARG . . . . . . . . . . . . . . . -61.33 -23.76 65.96 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.429 -0.508 . . . . 227.7 111.711 171.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . . . -76.94 -37.93 54.34 Favored 'General case' 0 C--O 1.235 0.302 0 C-N-CA 120.645 -0.422 . . . . 211.8 111.74 -178.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 4.0 tp -102.82 -13.76 16.87 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 113.242 0.83 . . . . 269.83 113.242 -177.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.05 -34.83 68.64 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 119.919 -0.712 . . . . 215.11 110.876 172.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 59.1 p -50.76 -52.54 39.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 120.665 -0.414 . . . . 185.92 111.168 174.092 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . . . -67.21 -23.59 65.75 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 118.782 -1.167 . . . . 172.67 111.617 -173.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' LEU . . . . . 0.449 ' N ' HD23 ' B' ' 25' ' ' LEU . 6.6 mt -84.72 -12.61 53.44 Favored 'General case' 0 C--N 1.341 0.235 0 CA-C-N 118.208 0.458 . . . . 197.84 112.05 176.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . . . -57.87 -38.48 75.81 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-N 118.051 0.387 . . . . 178.38 110.845 163.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -81.43 -25.78 35.88 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 112.026 0.38 . . . . 142.43 112.026 177.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -66.32 -54.53 23.63 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.17 0.51 . . . . 153.6 109.756 175.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -49.15 -33.52 12.31 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 119.757 -0.777 . . . . 165.84 112.043 164.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ARG . . . . . . . . . . . . . . . -66.34 -32.56 74.03 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 117.13 -1.828 . . . . 163.1 110.723 -177.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -97.14 -25.45 15.31 Favored 'General case' 0 C--O 1.234 0.271 0 N-CA-C 115.029 1.492 . . . . 148.98 115.029 -171.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 p -64.67 -47.32 89.33 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-N 119.608 1.094 . . . . 164.46 110.387 174.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -67.74 -37.35 82.04 Favored 'General case' 0 C--O 1.236 0.365 0 O-C-N 121.734 -0.604 . . . . 134.33 110.867 177.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.9 mm -58.37 -48.98 83.57 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-O 121.31 0.576 . . . . 117.89 110.026 175.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 12.8 mtt-85 -73.46 -29.79 62.77 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 120.619 -0.432 . . . . 108.88 111.757 -176.657 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.401 HD11 ' HG3' ' A' ' 125' ' ' GLU . 3.6 mm -63.83 -41.63 93.18 Favored 'Isoleucine or valine' 0 C--O 1.237 0.431 0 C-N-CA 120.218 -0.593 . . . . 95.32 110.436 -179.148 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 11.8 mttt -72.19 -27.79 62.79 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.211 -0.596 . . . . 89.99 111.474 -179.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -71.73 -39.32 70.16 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.191 -0.604 . . . . 87.89 110.95 174.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 77.7 mt -56.82 -52.09 59.25 Favored 'Isoleucine or valine' 0 C--O 1.237 0.446 0 CA-C-O 121.243 0.544 . . . . 80.74 110.058 175.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 43.0 tp10 -62.19 -39.1 91.62 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 120.418 -0.513 . . . . 83.01 111.126 179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 18.4 t -66.45 -42.12 88.06 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.92 -0.712 . . . . 74.28 111.027 179.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 87.3 m-20 -62.33 -38.46 89.57 Favored 'General case' 0 C--O 1.238 0.46 0 C-N-CA 120.078 -0.649 . . . . 75.4 110.677 174.291 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ARG . . . . . . . . . . . . . 12.4 ttp85 -60.64 -48.07 83.43 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.87 0.366 . . . . 67.0 111.098 179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -66.16 -42.73 88.61 Favored 'General case' 0 C--O 1.238 0.458 0 C-N-CA 120.036 -0.666 . . . . 65.54 111.19 -175.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.2 -31.35 72.52 Favored 'General case' 0 C--O 1.237 0.438 0 C-N-CA 120.026 -0.67 . . . . 79.16 111.54 178.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.89 -43.78 87.24 Favored 'General case' 0 C--O 1.236 0.377 0 C-N-CA 120.046 -0.662 . . . . 52.31 111.016 173.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.9 mt -62.41 -41.47 98.71 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.589 -0.445 . . . . 49.58 111.367 -179.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 35.9 tptt -76.53 -22.24 54.66 Favored 'General case' 0 C--O 1.236 0.354 0 C-N-CA 119.94 -0.704 . . . . 88.93 112.38 178.122 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -67.56 -43.97 79.38 Favored 'General case' 0 C--O 1.237 0.446 0 C-N-CA 119.97 -0.692 . . . . 72.64 110.77 172.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.658 HG21 ' CD1' ' A' ' 113' ' ' ILE . 40.3 t -63.11 -43.4 98.9 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 120.475 -0.49 . . . . 43.15 110.252 175.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -52.05 -54.08 34.41 Favored 'General case' 0 C--O 1.237 0.412 0 O-C-N 121.942 -0.474 . . . . 63.65 110.914 173.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -59.43 -48.45 81.61 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.518 -0.473 . . . . 52.77 111.155 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' LEU . . . . . . . . . . . . . 33.4 mt -60.24 -39.09 85.47 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 119.888 -0.725 . . . . 44.61 111.465 -174.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -66.57 -40.86 89.2 Favored 'General case' 0 C--O 1.236 0.386 0 C-N-CA 119.552 -0.859 . . . . 36.14 110.779 178.226 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -72.03 -30.14 64.89 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 120.595 -0.442 . . . . 44.71 111.862 -175.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ILE . . . . . . . . . . . . . 57.0 mt -61.94 -46.67 95.99 Favored 'Isoleucine or valine' 0 C--O 1.238 0.483 0 C-N-CA 120.102 -0.639 . . . . 47.37 110.058 172.677 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -65.83 -37.09 85.31 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.039 -0.664 . . . . 42.43 110.903 -178.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 63.5 mt -65.01 -47.26 88.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-O 121.199 0.523 . . . . 42.13 110.216 177.788 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 78.0 mt -72.72 -17.92 61.57 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 112.364 0.505 . . . . 41.54 112.364 -177.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.11 -24.04 58.0 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 112.551 0.574 . . . . 52.31 112.551 177.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' LEU . . . . . . . . . . . . . 12.2 mt -81.29 132.51 55.81 Favored Pre-proline 0 C--N 1.317 -0.822 0 N-CA-C 109.886 -0.413 . . . . 46.8 109.886 -177.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -62.95 158.96 40.48 Favored 'Trans proline' 0 C--N 1.331 -0.372 0 CA-C-O 121.996 0.748 . . . . 44.07 111.379 173.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' LYS . . . . . 0.423 ' O ' ' HG3' ' B' ' 67' ' ' GLU . 3.1 tttt -56.32 -46.21 79.96 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.221 -0.899 . . . . 54.99 111.579 -175.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.73 81.28 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.578 -0.849 . . . . 35.34 111.206 -175.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 tp -72.72 -39.83 66.64 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.5 -0.48 . . . . 46.73 111.116 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ARG . . . . . 0.566 ' NH2' ' O ' ' B' ' 103' ' ' HOH . 15.2 ttm180 -63.64 -21.97 66.66 Favored 'General case' 0 C--O 1.236 0.354 0 N-CA-C 112.241 0.46 . . . . 71.66 112.241 -178.807 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' B' ' 63' ' ' LYS . 1.9 mt-10 -94.39 8.64 41.27 Favored 'General case' 0 C--O 1.235 0.295 0 N-CA-C 112.562 0.579 . . . . 85.16 112.562 -177.598 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' MET . . . . . . . . . . . . . 14.9 mmt -88.84 160.27 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.658 0.742 . . . . 120.79 110.408 176.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -65.71 138.89 58.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.37 -0.832 . . . . 56.82 110.369 -177.868 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' TRP . . . . . . . . . . . . . 13.6 p-90 -70.51 -37.08 74.1 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.043 -0.663 . . . . 41.63 111.376 -174.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.425 ' CD2' HD11 ' A' ' 6' ' ' LEU . 16.9 mt -63.95 -42.18 97.39 Favored 'General case' 0 C--O 1.237 0.437 0 C-N-CA 119.927 -0.709 . . . . 43.26 111.462 178.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -73.1 -33.63 65.7 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 120.306 -0.558 . . . . 64.71 112.078 -176.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 25.2 t80 -66.04 -39.07 89.87 Favored 'General case' 0 C--O 1.237 0.414 0 C-N-CA 120.204 -0.599 . . . . 40.16 111.251 178.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -80.93 -9.49 59.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.698 0.629 . . . . 41.0 112.698 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.27 0.24 53.62 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.781 0.66 . . . . 59.42 112.781 175.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' LEU . . . . . . . . . . . . . 57.9 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 118.436 0.562 . . . . 67.91 109.962 175.323 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.317 -0.313 . . . . 53.04 112.317 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.56 -43.32 60.01 Favored 'Trans proline' 0 N--CA 1.475 0.42 0 O-C-N 122.652 0.817 . . . . 45.3 113.562 -176.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -64.44 -23.08 32.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 C-N-CA 120.467 -0.493 . . . . 41.26 111.972 -173.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -77.68 -10.52 59.57 Favored 'General case' 0 C--O 1.236 0.384 0 N-CA-C 112.844 0.683 . . . . 59.3 112.844 -178.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt -61.72 -31.69 71.87 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.536 -0.466 . . . . 50.51 111.502 -178.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 50.0 mt -65.15 -49.44 69.86 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.284 -0.566 . . . . 42.9 111.024 -176.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -68.7 -42.21 78.05 Favored 'General case' 0 C--O 1.237 0.426 0 C-N-CA 120.236 -0.585 . . . . 65.85 111.16 179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 26.0 tp -57.59 -49.27 76.96 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 120.459 -0.496 . . . . 55.71 111.037 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' CYS . . . . . . . . . . . . . 60.9 m -70.77 -38.57 73.46 Favored 'General case' 0 C--O 1.236 0.364 0 C-N-CA 120.462 -0.495 . . . . 55.01 111.392 -176.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 85.3 m-20 -66.76 -24.75 66.24 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.173 -0.611 . . . . 62.42 111.223 176.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -75.97 -41.37 51.61 Favored 'General case' 0 C--O 1.235 0.338 0 C-N-CA 121.041 -0.264 . . . . 79.28 111.445 176.992 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' LYS . . . . . . . . . . . . . 60.7 mttm -72.01 -29.57 64.33 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.489 -0.484 . . . . 64.26 111.527 179.011 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' LEU . . . . . . . . . . . . . 39.2 tp -66.73 -47.74 71.34 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.484 -0.486 . . . . 86.09 110.743 173.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' MET . . . . . . . . . . . . . 4.0 ttp -59.24 -48.06 83.03 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 120.687 -0.405 . . . . 87.37 110.979 177.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -52.56 -52.84 53.05 Favored 'General case' 0 C--O 1.237 0.443 0 C-N-CA 120.553 -0.459 . . . . 93.39 110.777 179.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 26.3 t80 -50.43 -47.79 56.51 Favored 'General case' 0 C--O 1.237 0.395 0 CA-C-O 120.931 0.396 . . . . 70.08 110.856 177.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 96.4 mt -65.12 -36.74 85.24 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.521 -0.471 . . . . 81.0 111.451 -176.403 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' CYS . . . . . . . . . . . . . 93.1 m -78.88 -28.73 44.12 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.387 0.514 . . . . 98.71 112.387 -177.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -67.77 -35.55 78.9 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 119.77 -0.772 . . . . 113.08 111.493 -179.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' MET . . . . . . . . . . . . . 6.7 mtp -80.09 -34.66 37.83 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.326 -0.55 . . . . 136.61 111.692 174.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -50.18 -44.43 52.88 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 121.037 0.446 . . . . 112.07 110.721 171.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -103.26 15.7 28.5 Favored 'General case' 0 C--O 1.235 0.292 0 N-CA-C 113.124 0.787 . . . . 114.46 113.124 -171.861 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LYS . . . . . . . . . . . . . . . -139.78 -65.84 0.46 Allowed 'General case' 0 C--O 1.235 0.32 0 CA-C-N 118.303 0.501 . . . . 127.87 110.234 176.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -67.05 -41.91 85.7 Favored 'General case' 0 C--O 1.236 0.391 0 C-N-CA 120.262 -0.575 . . . . 127.01 111.598 -176.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' LEU . . . . . 0.519 HD12 ' HD1' ' A' ' 124' ' ' PHE . 1.7 mp -80.71 -35.01 34.11 Favored 'General case' 0 C--O 1.237 0.417 0 C-N-CA 120.289 -0.564 . . . . 118.72 112.367 -176.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 32' ' ' VAL . . . . . . . . . . . . . 96.1 t -72.89 -31.65 36.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.507 0 C-N-CA 119.404 -0.918 . . . . 130.35 110.247 174.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 33' ' ' TRP . . . . . 0.658 ' CE3' HD23 ' C' ' 34' ' ' LEU . 79.5 t90 -67.86 -28.96 67.99 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 121.995 -0.441 . . . . 122.57 111.081 179.328 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.658 HD23 ' CE3' ' C' ' 33' ' ' TRP . 5.0 mt -67.68 -41.91 82.93 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 120.545 -0.462 . . . . 128.36 110.89 169.601 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 35' ' ' GLU . . . . . . . . . . . . . . . -65.85 -38.54 89.14 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.433 -0.507 . . . . 135.02 111.085 176.429 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 36' ' ' GLU . . . . . . . . . . . . . . . -62.62 -42.46 99.6 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 120.683 -0.407 . . . . 150.14 111.521 -171.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 4.0 pt -94.17 -2.95 10.72 Favored 'Isoleucine or valine' 0 C--O 1.242 0.66 0 N-CA-C 113.207 0.817 . . . . 171.69 113.207 -179.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 38' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -69.04 -34.54 75.37 Favored 'General case' 0 C--O 1.24 0.567 0 C-N-CA 118.448 -1.301 . . . . 147.35 110.47 170.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . . . -75.18 -42.13 56.47 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 123.629 0.771 . . . . 162.1 111.37 172.142 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 40' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -51.06 -32.91 23.56 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 119.63 -0.828 . . . . 153.43 110.808 165.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.98 -37.67 66.94 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-O 120.452 0.168 . . . . 154.32 110.884 -178.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 42' ' ' GLU . . . . . . . . . . . . . . . -64.92 -31.82 73.25 Favored 'General case' 0 CA--C 1.514 -0.41 0 C-N-CA 123.194 0.597 . . . . 186.29 112.523 -178.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.31 -40.59 82.45 Favored 'General case' 0 C--N 1.323 -0.555 0 C-N-CA 120.43 -0.508 . . . . 165.23 111.172 178.118 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 44' ' ' MET . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.577 0 CA-C-O 120.894 0.378 . . . . 167.35 110.39 176.778 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 120.707 0.289 . . . . 65.82 110.378 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 ptt85 -132.07 150.68 52.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 81.34 110.086 178.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' TPO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . 8.7 ttpt -73.69 104.64 4.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.957 -0.565 . . . . 122.14 110.908 178.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 mp0 -72.87 126.21 29.39 Favored 'General case' 0 C--O 1.235 0.302 0 N-CA-C 109.68 -0.489 . . . . 150.47 109.68 174.404 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' THR . . . . . . . . . . . . . 5.8 p -89.12 141.13 28.77 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.211 -0.45 . . . . 191.87 110.834 -173.859 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.796 -0.638 . . . . 246.84 110.508 -179.115 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.533 ' O ' ' NH2' ' A' ' 132' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . 0.566 ' O ' ' NH2' ' B' ' 66' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_