data_6wc1_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 6wc1 _Structure_validation_residue.Date_analyzed 2020-07-31 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 ' 2' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 118.126 -0.94 . . . . 122.45 109.027 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.4 tp10 -58.18 139.18 55.4 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 124.491 1.119 . . . . 128.11 109.388 -179.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 tp -92.95 141.41 28.44 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 117.972 -1.013 . . . . 122.91 109.634 -177.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.02 109.95 12.86 Favored Pre-proline 0 N--CA 1.487 1.38 0 O-C-N 125.128 1.518 . . . . 146.3 108.257 177.799 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -102.39 122.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.771 2.314 . . . . 146.88 110.639 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.55 140.62 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 124.459 1.1 . . . . 136.99 109.004 179.901 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.32 135.06 39.76 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 125.118 1.511 . . . . 113.97 106.97 176.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.58 111.18 18.33 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.306 1.004 . . . . 98.34 108.546 -179.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -88.88 148.24 23.96 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.485 1.116 . . . . 117.28 109.195 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLN . . . . . 0.548 ' NE2' ' CZ ' ' A' ' 31' ' ' TYR . 71.0 mt-30 -117.33 145.8 43.78 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 124.67 1.231 . . . . 75.75 108.613 -179.85 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -153.21 141.76 20.83 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 124.443 1.09 . . . . 73.14 108.485 179.251 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.7 p -68.1 142.79 55.7 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 124.571 1.17 . . . . 80.7 108.122 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 p -152.11 168.2 26.05 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 119.554 -0.858 . . . . 56.02 110.578 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.75 147.52 23.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 124.841 1.338 . . . . 74.73 110.682 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.6 161.65 42.32 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.496 -0.775 . . . . 67.06 108.93 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.91 169.09 42.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.972 -1.108 . . . . 56.85 111.757 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 59.6 p -68.34 -26.69 65.72 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.375 -0.913 . . . . 67.18 111.966 175.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -131.73 173.4 11.19 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.784 -0.821 . . . . 71.78 108.784 174.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.17 -40.22 86.58 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.693 -0.803 . . . . 75.12 110.995 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.7 p -69.53 -29.29 66.86 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.669 -0.412 . . . . 78.74 111.841 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.51 0.16 18.19 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 118.4 -0.81 . . . . 85.43 110.347 -178.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' CYS . . . . . 0.556 ' O ' ' NH1' ' A' ' 55' ' ' ARG . 98.9 m -85.88 105.2 16.2 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 117.859 -1.067 . . . . 97.72 109.132 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -133.23 -67.46 0.62 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.035 -1.066 . . . . 113.5 111.811 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.81 172.54 12.08 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 118.558 -0.734 . . . . 131.65 110.282 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -81.62 92.62 6.59 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 124.439 1.087 . . . . 99.58 108.511 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -94.45 1.63 55.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 126.38 1.872 . . . . 98.85 111.888 -176.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -163.15 175.51 10.94 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 124.178 0.924 . . . . 53.5 109.131 -174.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 pp -126.33 133.41 51.37 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.457 -0.942 . . . . 72.04 108.457 174.828 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.75 130.17 46.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.492 -0.322 . . . . 53.85 110.583 -172.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' TYR . . . . . 0.548 ' CZ ' ' NE2' ' A' ' 11' ' ' GLN . 45.7 m-85 -83.62 121.49 27.31 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.287 -1.005 . . . . 100.83 108.287 167.748 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -136.3 168.66 19.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.892 0.853 . . . . 80.52 110.191 -177.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -122.24 133.69 54.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.647 -1.161 . . . . 90.86 108.552 174.661 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p -86.58 108.37 18.55 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 106.688 -1.597 . . . . 129.32 106.688 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -97.05 -166.32 1.38 Allowed 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.661 1.225 . . . . 132.3 108.922 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.29 -53.92 38.08 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 124.673 1.233 . . . . 136.4 107.696 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.28 135.96 7.4 Favored Glycine 0 N--CA 1.475 1.27 0 CA-C-O 117.5 -1.722 . . . . 129.34 109.086 177.735 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.55 153.48 26.75 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 119.959 -1.115 . . . . 125.7 112.756 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -105.73 124.63 49.87 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.286 -1.005 . . . . 109.89 108.286 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -98.66 107.9 20.46 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 124.736 1.273 . . . . 80.35 108.332 -178.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -87.35 127.74 40.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.194 -0.669 . . . . 67.31 109.194 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.27 -47.57 5.97 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.515 0.561 . . . . 66.86 112.515 -176.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.73 169.68 22.13 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.477 0.655 . . . . 50.9 109.662 -173.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -123.76 141.87 51.62 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.251 -0.886 . . . . 50.75 110.009 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -121.02 130.15 53.67 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.309 -0.997 . . . . 76.36 108.309 176.977 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.1 t -157.86 152.99 25.63 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.402 -0.919 . . . . 53.17 110.744 -172.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -70.47 -20.42 62.87 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 114.996 -1.002 . . . . 83.23 112.339 171.622 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.42 144.51 25.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 62.95 110.669 -173.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -107.24 0.88 23.55 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.097 1.147 . . . . 91.32 114.097 -174.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -115.85 23.93 11.89 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 119.084 0.856 . . . . 77.92 112.552 -174.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.8 mt -79.48 142.83 35.49 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.362 0.601 . . . . 55.69 110.985 -176.331 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -124.26 -32.26 3.21 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.502 0.927 . . . . 73.96 113.502 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -127.22 152.32 47.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.572 0.624 . . . . 65.06 110.305 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.43 143.16 48.63 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.434 -0.95 . . . . 63.64 108.434 167.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ARG . . . . . 0.556 ' NH1' ' O ' ' A' ' 23' ' ' CYS . 58.0 ttp180 -114.47 133.17 55.96 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.766 -0.457 . . . . 99.84 109.766 -177.618 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.86 104.27 12.91 Favored Pre-proline 0 C--O 1.249 1.053 0 N-CA-C 108.665 -0.865 . . . . 74.61 108.665 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.0 129.37 31.58 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 CA-C-N 119.049 0.696 . . . . 91.02 110.669 171.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.44 144.44 54.14 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.758 -0.656 . . . . 125.61 111.404 -175.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 p -65.2 -27.68 68.86 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.517 -0.765 . . . . 112.94 111.55 176.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -76.06 -0.8 23.11 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.98 0.733 . . . . 147.21 112.98 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.48 -4.27 28.24 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-O 118.887 -0.952 . . . . 122.42 115.403 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 p -64.99 -55.98 15.83 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 118.64 1.22 . . . . 133.38 111.308 -175.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.89 -142.3 3.41 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.502 -0.856 . . . . 115.25 114.28 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.0 p -133.07 149.33 52.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.491 0.716 . . . . 103.11 109.696 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.6 mt -111.65 132.61 59.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 108.294 -1.002 . . . . 67.89 108.294 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -114.15 120.71 41.46 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.41 -0.959 . . . . 68.0 108.41 174.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -108.85 133.36 52.99 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.86 -0.793 . . . . 83.89 108.86 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -84.09 150.13 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.399 0.618 . . . . 86.56 110.506 -176.698 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -103.95 146.92 27.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.566 -0.743 . . . . 54.07 111.353 -174.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -74.2 167.07 39.18 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.195 -0.911 . . . . 83.38 109.104 168.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -57.07 139.44 89.96 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 120.36 0.707 . . . . 70.13 110.887 173.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -70.34 147.56 59.4 Favored 'Trans proline' 0 C--N 1.331 -0.393 0 CA-C-O 121.869 0.695 . . . . 50.47 112.328 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.7 t -102.18 126.31 49.11 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.939 -1.028 . . . . 94.03 108.908 168.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -93.62 139.45 30.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.464 -0.335 . . . . 90.89 110.466 -174.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -158.25 161.32 37.74 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.794 -0.817 . . . . 75.9 108.794 175.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.65 129.6 70.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.358 -0.837 . . . . 54.71 108.771 -175.236 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.4 p -107.94 147.13 31.46 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.206 0.527 . . . . 65.87 110.084 175.411 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -91.29 120.19 31.97 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.343 -0.984 . . . . 71.18 108.343 174.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 p -124.68 162.56 42.15 Favored Pre-proline 0 C--O 1.238 0.448 0 C-N-CA 124.496 1.119 . . . . 74.22 108.905 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.5 -31.26 85.52 Favored 'Trans proline' 0 C--O 1.238 0.478 0 N-CA-C 113.334 0.475 . . . . 78.84 113.334 173.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -75.7 -6.13 49.02 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.967 0.729 . . . . 107.03 112.967 175.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.28 179.04 19.41 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 111.209 -0.757 . . . . 77.34 111.209 -176.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.73 135.1 46.99 Favored 'Trans proline' 0 C--N 1.332 -0.291 0 CA-C-O 121.293 0.455 . . . . 57.47 111.241 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -123.62 125.7 45.29 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.675 -0.693 . . . . 82.22 109.506 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.1 122.12 32.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 108.914 -0.773 . . . . 60.26 108.914 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -120.71 156.46 31.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.427 0.632 . . . . 92.99 109.912 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -127.2 125.78 41.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.549 -0.75 . . . . 64.79 109.194 -179.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 44.6 tp -104.55 122.29 45.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.48 0.712 . . . . 52.75 109.207 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -112.76 118.32 34.65 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.78 -0.822 . . . . 58.26 108.78 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -77.92 146.7 35.4 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.455 -0.498 . . . . 50.43 109.733 169.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.12 141.26 16.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 108.477 -0.934 . . . . 54.4 108.477 170.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -53.33 118.87 4.15 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.663 -0.699 . . . . 80.82 110.976 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.13 12.53 63.34 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 116.153 1.221 . . . . 65.18 116.153 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.23 131.54 45.96 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.834 1.317 . . . . 52.13 110.402 -176.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -66.19 174.41 2.62 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.418 -0.356 . . . . 69.36 110.839 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -76.03 -32.77 59.51 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.39 -0.524 . . . . 64.45 112.157 -172.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.63 -49.32 77.98 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.245 -0.582 . . . . 52.94 110.782 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -65.67 -39.2 91.1 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.849 -0.34 . . . . 61.12 111.326 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -57.02 -44.85 83.27 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.381 -0.528 . . . . 71.98 110.85 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.53 -37.66 94.52 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 119.919 -1.134 . . . . 52.32 112.482 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -48.51 79.54 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 118.28 -0.867 . . . . 92.48 109.357 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.83 -46.13 89.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 O-C-N 124.35 1.031 . . . . 48.23 110.434 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.1 mt -63.9 -35.1 79.55 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.829 -0.544 . . . . 51.79 111.167 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.78 -36.67 52.63 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.403 -0.904 . . . . 52.65 113.327 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.2 t -68.34 -45.38 73.04 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.22 -0.592 . . . . 56.72 111.313 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 2.4 mt -56.05 -56.73 17.23 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.093 0.473 . . . . 72.32 111.227 179.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.43 -21.87 66.7 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.74 0.644 . . . . 95.48 112.74 -176.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.04 -18.21 35.06 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.816 0.673 . . . . 59.73 112.816 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.5 p -119.26 -7.31 10.29 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 114.062 1.134 . . . . 64.24 114.062 -175.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.51 144.38 38.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 108.49 -0.93 . . . . 69.34 108.49 -177.944 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -85.97 127.72 34.69 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.274 -1.38 . . . . 86.34 107.274 178.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 mp -114.41 149.5 36.12 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 124.57 1.169 . . . . 76.27 110.929 -174.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.335 -0.848 . . . . 95.79 111.482 -175.353 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.855 0.359 . . . . 127.88 110.984 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.89 46.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.347 0.659 . . . . 136.55 111.038 174.779 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -61.5 131.86 92.71 Favored Pre-proline 0 C--O 1.239 0.536 0 O-C-N 122.159 -0.338 . . . . 141.43 110.596 -172.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -75.23 135.21 18.37 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 120.716 0.944 . . . . 124.6 111.43 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.26 141.98 27.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 108.139 -1.06 . . . . 101.06 108.139 178.365 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 130.5 44.91 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.131 -0.486 . . . . 78.7 111.206 -172.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.0 mt -94.87 118.78 32.35 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.913 -0.773 . . . . 72.1 108.913 173.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 15.3 mtm-85 -107.09 166.55 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.864 0.84 . . . . 113.91 110.321 179.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -121.01 153.15 37.72 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.203 -0.908 . . . . 68.75 110.263 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -160.13 146.26 15.59 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.799 -0.815 . . . . 81.71 108.799 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 25.1 p -70.29 151.64 45.07 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.792 0.806 . . . . 86.01 110.232 175.115 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 21.1 p -159.12 160.26 35.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.524 -0.762 . . . . 68.09 109.169 -174.674 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.12 146.51 26.02 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.317 -0.856 . . . . 76.25 110.643 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.97 153.13 29.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.472 -0.936 . . . . 60.88 108.472 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.71 176.85 38.99 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 119.626 -1.273 . . . . 69.05 112.409 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 36.7 p -69.15 -31.22 69.73 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.561 -0.819 . . . . 77.93 111.454 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.3 p -127.7 169.28 13.98 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.89 -0.781 . . . . 77.18 108.89 173.296 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -59.84 -50.68 72.86 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.703 -0.68 . . . . 79.88 110.749 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.4 m -60.19 -29.52 68.75 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.676 -0.41 . . . . 80.27 111.442 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.17 -18.64 63.95 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 117.887 -1.054 . . . . 81.17 111.138 -179.688 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 64.8 m -61.37 110.32 1.4 Allowed 'General case' 0 N--CA 1.49 1.532 1 N-CA-C 100.149 -4.019 . . . . 90.61 100.149 179.852 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 2.5 m -107.37 -67.99 0.92 Allowed 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 117.497 2.406 . . . . 122.04 117.497 -177.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -136.99 167.68 21.05 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 102.599 -3.112 . . . . 129.74 102.599 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -59.42 108.58 0.73 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 125.047 1.467 . . . . 109.79 109.542 -177.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -129.27 20.79 5.74 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 124.374 1.046 . . . . 92.01 111.949 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.63 174.89 14.78 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.842 -0.799 . . . . 58.59 108.842 -176.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 tp -128.76 122.71 31.19 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.626 -0.879 . . . . 63.23 108.626 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.17 131.01 46.37 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 122.787 0.435 . . . . 58.57 110.702 -173.216 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -96.37 124.24 40.3 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.201 -1.037 . . . . 53.78 108.201 171.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -141.44 162.57 35.15 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.798 0.808 . . . . 75.41 111.149 -168.785 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -115.9 146.03 42.39 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.602 -1.181 . . . . 87.88 109.516 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -114.88 96.74 5.86 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 118.227 -0.892 . . . . 128.17 109.347 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.9 p -133.54 148.21 51.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 124.674 1.234 . . . . 121.66 109.469 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 50.41 -128.95 2.24 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 124.785 1.303 . . . . 140.55 109.373 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.05 90.37 0.54 Allowed Glycine 0 N--CA 1.476 1.357 0 CA-C-O 118.251 -1.305 . . . . 127.48 111.725 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.47 161.18 8.6 Favored Glycine 0 N--CA 1.476 1.305 0 CA-C-O 118.247 -1.307 . . . . 109.37 111.682 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -100.41 133.52 44.72 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 118.295 -0.86 . . . . 104.47 109.259 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -102.59 103.4 13.71 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 124.608 1.192 . . . . 98.52 107.98 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 57.1 t -84.4 127.83 39.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 108.814 -0.809 . . . . 68.96 108.814 -177.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mt -99.72 -36.16 9.56 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.353 0.871 . . . . 72.7 113.353 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.25 157.62 32.91 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.575 0.625 . . . . 45.23 110.156 -171.612 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -113.89 146.42 40.05 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.013 -0.994 . . . . 71.95 110.142 174.986 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -126.78 126.85 44.12 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.208 -1.034 . . . . 59.56 108.208 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 29.2 t -156.02 163.21 39.98 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.91 -0.716 . . . . 57.74 110.438 -173.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -82.9 -20.7 34.93 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.915 -1.038 . . . . 102.91 112.432 171.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.61 148.08 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.213 0.53 . . . . 74.59 110.275 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -108.68 -3.12 18.15 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.611 0.967 . . . . 102.54 113.611 -175.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -113.66 27.63 9.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.755 0.707 . . . . 88.52 112.608 -174.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 52.9 mt -79.87 142.15 35.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.131 0.491 . . . . 65.07 110.916 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -125.68 -18.2 5.26 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 114.132 1.16 . . . . 89.49 114.132 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -140.87 154.74 46.3 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 119.255 0.934 . . . . 71.52 109.71 -173.079 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.26 139.54 49.66 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.636 -0.711 . . . . 60.44 109.368 174.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -108.4 133.49 52.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.821 -0.437 . . . . 93.96 109.821 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' B' ' 65' ' ' ILE . 76.5 m-85 -136.22 116.81 11.3 Favored Pre-proline 0 C--O 1.248 1.025 0 N-CA-C 109.38 -0.6 . . . . 108.57 109.38 -179.35 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -86.86 121.63 1.81 Allowed 'Trans proline' 0 C--N 1.329 -0.447 0 CA-C-N 119.124 0.723 . . . . 105.93 111.013 171.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.49 152.44 30.09 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.39 0.614 . . . . 112.4 109.938 175.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -64.93 -28.05 69.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.768 -0.651 . . . . 119.48 112.341 -172.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 p30 -75.73 -12.55 60.21 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.199 0.814 . . . . 141.62 113.199 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.53 6.14 86.48 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 118.986 -0.897 . . . . 113.68 115.036 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 32.0 m -56.5 -37.74 70.81 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 118.434 1.117 . . . . 124.45 111.0 174.402 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.61 -166.79 37.89 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.276 -0.964 . . . . 85.26 111.33 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -122.86 150.48 42.83 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.07 -0.565 . . . . 94.44 110.402 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' ILE . . . . . 0.401 ' N ' ' O ' ' B' ' 56' ' ' PHE . 22.9 mt -113.89 129.91 68.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.301 -0.863 . . . . 68.66 108.802 -174.529 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -111.66 133.4 53.93 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.509 -0.922 . . . . 72.54 108.509 175.007 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 20.8 m -127.46 132.37 50.03 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 110.214 -0.291 . . . . 79.57 110.214 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.42 145.37 54.18 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.55 0.531 . . . . 91.01 110.253 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 mt -111.35 145.04 39.56 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.236 -0.438 . . . . 62.93 110.231 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -74.31 164.98 57.44 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.049 -0.523 . . . . 91.82 109.799 173.089 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -57.28 138.65 87.21 Favored 'Trans proline' 0 C--O 1.241 0.663 0 C-N-CA 120.262 0.641 . . . . 65.02 110.623 172.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.63 152.46 59.34 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 CA-C-O 121.938 0.724 . . . . 56.38 112.372 -168.511 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' CYS . . . . . . . . . . . . . 87.9 m -104.47 108.23 19.55 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.554 -1.276 . . . . 80.88 107.554 173.886 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -73.21 138.69 45.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 97.58 110.431 -177.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -156.1 165.44 36.42 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.122 -0.631 . . . . 77.0 109.69 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -115.15 138.73 44.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.1 -0.954 . . . . 68.82 109.413 -172.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 10.7 p -120.47 153.54 36.49 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.469 0.708 . . . . 70.75 109.661 175.354 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.86 119.01 31.74 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 108.601 -0.888 . . . . 112.3 108.601 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 91.3 m -123.22 144.98 44.97 Favored Pre-proline 0 C--O 1.237 0.407 0 O-C-N 124.768 1.292 . . . . 106.14 108.359 -178.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.96 -32.27 30.04 Favored 'Trans proline' 0 C--O 1.238 0.491 0 N-CA-C 114.014 0.736 . . . . 132.47 114.014 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -88.13 28.01 1.13 Allowed 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.648 0.61 . . . . 128.75 112.648 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.04 162.17 31.98 Favored Glycine 0 N--CA 1.443 -0.834 0 O-C-N 122.1 -0.375 . . . . 91.03 112.822 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -46.92 143.44 9.54 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 120.65 0.9 . . . . 94.32 113.044 171.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -128.36 145.61 51.02 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.651 -0.704 . . . . 128.36 109.506 174.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -97.23 122.44 48.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.58 -0.896 . . . . 65.39 108.58 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -119.51 166.5 13.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.882 0.873 . . . . 84.84 109.43 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -126.6 129.1 47.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.481 -0.781 . . . . 66.41 109.485 -178.68 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -107.06 117.89 35.25 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.133 -0.691 . . . . 56.26 109.133 -177.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -107.15 113.01 26.18 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.829 -0.804 . . . . 65.18 108.829 -178.934 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -77.77 145.79 36.23 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.629 -0.828 . . . . 64.8 109.635 169.145 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.68 137.24 22.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 108.44 -0.948 . . . . 64.81 108.44 170.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -56.58 132.03 50.5 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.638 -0.425 . . . . 88.51 110.535 179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.58 6.78 88.88 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 115.618 1.007 . . . . 54.39 115.618 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.6 129.17 38.81 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.751 1.276 . . . . 52.64 110.227 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' ASN . . . . . . . . . . . . . 41.9 p30 -74.0 172.95 10.72 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.287 -0.965 . . . . 55.17 110.401 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -72.03 -31.71 66.44 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.238 -0.892 . . . . 70.24 112.006 -173.839 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 21.6 tp -58.65 -47.7 83.56 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.444 -0.502 . . . . 63.29 110.899 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -73.93 -31.52 63.09 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.616 -0.434 . . . . 64.27 111.681 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -58.28 -43.17 87.87 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.091 -0.644 . . . . 84.15 110.568 170.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.11 96.78 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.041 -1.076 . . . . 44.47 112.387 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 43.0 mtt -58.97 -42.15 89.26 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.418 -0.513 . . . . 72.8 110.943 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.94 -51.0 76.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.183 0.515 . . . . 47.03 110.256 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.15 -37.29 86.62 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.594 -0.442 . . . . 46.73 111.234 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.97 -46.35 91.67 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 120.002 -1.094 . . . . 60.68 112.303 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 14.3 t -65.35 -40.03 93.09 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 122.168 -0.607 . . . . 55.3 111.537 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 tp -60.76 -40.51 92.75 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.773 -0.371 . . . . 59.9 111.468 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.69 70.87 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.411 -0.516 . . . . 54.22 111.701 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.51 -28.32 23.47 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.721 0.637 . . . . 59.38 112.721 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 72.7 p -102.31 0.33 34.02 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.339 0.866 . . . . 63.87 113.339 -174.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.88 143.34 28.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 106.246 -1.761 . . . . 54.97 106.246 -174.1 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -79.38 87.23 5.04 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.179 -1.415 . . . . 109.04 107.179 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' LEU . . . . . . . . . . . . . 16.1 mt -66.93 158.63 30.28 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.461 0.648 . . . . 81.13 110.737 -177.084 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.079 -1.439 . . . . 143.11 108.842 -177.014 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . 0.416 ' HB3' ' H ' ' A' ' 3' ' ' GLU . 41.3 m-20 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 118.126 -0.94 . . . . 122.45 109.027 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' H ' ' HB3' ' A' ' 2' ' ' ASN . 23.4 tp10 -58.18 139.18 55.4 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 124.491 1.119 . . . . 128.11 109.388 -179.838 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . 0.59 ' HB2' ' HB3' ' B' ' 73' ' ' CYS . 1.6 tp -92.95 141.41 28.44 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 117.972 -1.013 . . . . 122.91 109.634 -177.477 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.02 109.95 12.86 Favored Pre-proline 0 N--CA 1.487 1.38 0 O-C-N 125.128 1.518 . . . . 146.3 108.257 177.799 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -102.39 122.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.771 2.314 . . . . 146.88 110.639 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.55 140.62 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 124.459 1.1 . . . . 136.99 109.004 179.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.32 135.06 39.76 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 125.118 1.511 . . . . 113.97 106.97 176.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.58 111.18 18.33 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.306 1.004 . . . . 98.34 108.546 -179.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -88.88 148.24 23.96 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.485 1.116 . . . . 117.28 109.195 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' NE2' ' CZ ' ' A' ' 31' ' ' TYR . 71.0 mt-30 -117.33 145.8 43.78 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 124.67 1.231 . . . . 75.75 108.613 -179.85 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' MET . . . . . 0.568 ' HB3' ' HE2' ' A' ' 32' ' ' TYR . 1.2 ptt? -153.21 141.76 20.83 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 124.443 1.09 . . . . 73.14 108.485 179.251 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.7 p -68.1 142.79 55.7 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 124.571 1.17 . . . . 80.7 108.122 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 p -152.11 168.2 26.05 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 119.554 -0.858 . . . . 56.02 110.578 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.75 147.52 23.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 124.841 1.338 . . . . 74.73 110.682 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.6 161.65 42.32 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.496 -0.775 . . . . 67.06 108.93 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.91 169.09 42.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.972 -1.108 . . . . 56.85 111.757 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 50' ' ' ASP . 59.6 p -68.34 -26.69 65.72 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.375 -0.913 . . . . 67.18 111.966 175.762 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -131.73 173.4 11.19 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.784 -0.821 . . . . 71.78 108.784 174.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.17 -40.22 86.58 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.693 -0.803 . . . . 75.12 110.995 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.7 p -69.53 -29.29 66.86 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.669 -0.412 . . . . 78.74 111.841 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.51 0.16 18.19 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 118.4 -0.81 . . . . 85.43 110.347 -178.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' CYS . . . . . 0.556 ' O ' ' NH1' ' A' ' 55' ' ' ARG . 98.9 m -85.88 105.2 16.2 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 117.859 -1.067 . . . . 97.72 109.132 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -133.23 -67.46 0.62 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.035 -1.066 . . . . 113.5 111.811 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.81 172.54 12.08 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 118.558 -0.734 . . . . 131.65 110.282 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -81.62 92.62 6.59 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 124.439 1.087 . . . . 99.58 108.511 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -94.45 1.63 55.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 126.38 1.872 . . . . 98.85 111.888 -176.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -163.15 175.51 10.94 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 124.178 0.924 . . . . 53.5 109.131 -174.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 pp -126.33 133.41 51.37 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.457 -0.942 . . . . 72.04 108.457 174.828 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.75 130.17 46.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.492 -0.322 . . . . 53.85 110.583 -172.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' TYR . . . . . 0.511 ' CZ ' ' NE2' ' A' ' 11' ' ' GLN . 45.7 m-85 -83.62 121.49 27.31 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.287 -1.005 . . . . 100.83 108.287 167.748 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TYR . . . . . 0.568 ' HE2' ' HB3' ' A' ' 12' ' ' MET . 45.4 p90 -136.3 168.66 19.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.892 0.853 . . . . 80.52 110.191 -177.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -122.24 133.69 54.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.647 -1.161 . . . . 90.86 108.552 174.661 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p -86.58 108.37 18.55 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 106.688 -1.597 . . . . 129.32 106.688 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -97.05 -166.32 1.38 Allowed 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.661 1.225 . . . . 132.3 108.922 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.29 -53.92 38.08 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 124.673 1.233 . . . . 136.4 107.696 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.28 135.96 7.4 Favored Glycine 0 N--CA 1.475 1.27 0 CA-C-O 117.5 -1.722 . . . . 129.34 109.086 177.735 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.55 153.48 26.75 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 119.959 -1.115 . . . . 125.7 112.756 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -105.73 124.63 49.87 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.286 -1.005 . . . . 109.89 108.286 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -98.66 107.9 20.46 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 124.736 1.273 . . . . 80.35 108.332 -178.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -87.35 127.74 40.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.194 -0.669 . . . . 67.31 109.194 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.27 -47.57 5.97 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.515 0.561 . . . . 66.86 112.515 -176.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.73 169.68 22.13 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.477 0.655 . . . . 50.9 109.662 -173.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -123.76 141.87 51.62 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.251 -0.886 . . . . 50.75 110.009 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . 0.446 HD12 ' HE2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -121.02 130.15 53.67 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.309 -0.997 . . . . 76.36 108.309 176.977 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.1 t -157.86 152.99 25.63 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.402 -0.919 . . . . 53.17 110.744 -172.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -70.47 -20.42 62.87 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 114.996 -1.002 . . . . 83.23 112.339 171.622 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.42 144.51 25.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 62.95 110.669 -173.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 9.6 pt20 -107.24 0.88 23.55 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.097 1.147 . . . . 91.32 114.097 -174.288 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 18' ' ' THR . 36.9 p-10 -115.85 23.93 11.89 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 119.084 0.856 . . . . 77.92 112.552 -174.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.8 mt -79.48 142.83 35.49 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.362 0.601 . . . . 55.69 110.985 -176.331 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -124.26 -32.26 3.21 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.502 0.927 . . . . 73.96 113.502 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -127.22 152.32 47.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.572 0.624 . . . . 65.06 110.305 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.43 143.16 48.63 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.434 -0.95 . . . . 63.64 108.434 167.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ARG . . . . . 0.556 ' NH1' ' O ' ' A' ' 23' ' ' CYS . 58.0 ttp180 -114.47 133.17 55.96 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.766 -0.457 . . . . 99.84 109.766 -177.618 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.86 104.27 12.91 Favored Pre-proline 0 C--O 1.249 1.053 0 N-CA-C 108.665 -0.865 . . . . 74.61 108.665 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.0 129.37 31.58 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 CA-C-N 119.049 0.696 . . . . 91.02 110.669 171.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.44 144.44 54.14 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.758 -0.656 . . . . 125.61 111.404 -175.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 p -65.2 -27.68 68.86 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.517 -0.765 . . . . 112.94 111.55 176.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -76.06 -0.8 23.11 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.98 0.733 . . . . 147.21 112.98 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.48 -4.27 28.24 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-O 118.887 -0.952 . . . . 122.42 115.403 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 p -64.99 -55.98 15.83 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 118.64 1.22 . . . . 133.38 111.308 -175.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.89 -142.3 3.41 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.502 -0.856 . . . . 115.25 114.28 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.0 p -133.07 149.33 52.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.491 0.716 . . . . 103.11 109.696 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.6 mt -111.65 132.61 59.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 108.294 -1.002 . . . . 67.89 108.294 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -114.15 120.71 41.46 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.41 -0.959 . . . . 68.0 108.41 174.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -108.85 133.36 52.99 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.86 -0.793 . . . . 83.89 108.86 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -84.09 150.13 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.399 0.618 . . . . 86.56 110.506 -176.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -103.95 146.92 27.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.566 -0.743 . . . . 54.07 111.353 -174.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -74.2 167.07 39.18 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.195 -0.911 . . . . 83.38 109.104 168.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -57.07 139.44 89.96 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 120.36 0.707 . . . . 70.13 110.887 173.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -70.34 147.56 59.4 Favored 'Trans proline' 0 C--N 1.331 -0.393 0 CA-C-O 121.869 0.695 . . . . 50.47 112.328 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.7 t -102.18 126.31 49.11 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.939 -1.028 . . . . 94.03 108.908 168.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -93.62 139.45 30.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.464 -0.335 . . . . 90.89 110.466 -174.75 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -158.25 161.32 37.74 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.794 -0.817 . . . . 75.9 108.794 175.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.65 129.6 70.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.358 -0.837 . . . . 54.71 108.771 -175.236 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.4 p -107.94 147.13 31.46 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.206 0.527 . . . . 65.87 110.084 175.411 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -91.29 120.19 31.97 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.343 -0.984 . . . . 71.18 108.343 174.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 p -124.68 162.56 42.15 Favored Pre-proline 0 C--O 1.238 0.448 0 C-N-CA 124.496 1.119 . . . . 74.22 108.905 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.5 -31.26 85.52 Favored 'Trans proline' 0 C--O 1.238 0.478 0 N-CA-C 113.334 0.475 . . . . 78.84 113.334 173.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -75.7 -6.13 49.02 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.967 0.729 . . . . 107.03 112.967 175.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.28 179.04 19.41 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 111.209 -0.757 . . . . 77.34 111.209 -176.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.73 135.1 46.99 Favored 'Trans proline' 0 C--N 1.332 -0.291 0 CA-C-O 121.293 0.455 . . . . 57.47 111.241 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -123.62 125.7 45.29 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.675 -0.693 . . . . 82.22 109.506 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.1 122.12 32.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 108.914 -0.773 . . . . 60.26 108.914 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -120.71 156.46 31.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.427 0.632 . . . . 92.99 109.912 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 49' ' ' GLN . 97.4 m-85 -127.2 125.78 41.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.549 -0.75 . . . . 64.79 109.194 -179.603 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 44.6 tp -104.55 122.29 45.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.48 0.712 . . . . 52.75 109.207 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -112.76 118.32 34.65 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.78 -0.822 . . . . 58.26 108.78 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -77.92 146.7 35.4 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.455 -0.498 . . . . 50.43 109.733 169.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.12 141.26 16.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 108.477 -0.934 . . . . 54.4 108.477 170.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -53.33 118.87 4.15 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.663 -0.699 . . . . 80.82 110.976 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.13 12.53 63.34 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 116.153 1.221 . . . . 65.18 116.153 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.23 131.54 45.96 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.834 1.317 . . . . 52.13 110.402 -176.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -66.19 174.41 2.62 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.418 -0.356 . . . . 69.36 110.839 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -76.03 -32.77 59.51 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.39 -0.524 . . . . 64.45 112.157 -172.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.63 -49.32 77.98 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.245 -0.582 . . . . 52.94 110.782 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -65.67 -39.2 91.1 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.849 -0.34 . . . . 61.12 111.326 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -57.02 -44.85 83.27 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.381 -0.528 . . . . 71.98 110.85 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.53 -37.66 94.52 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 119.919 -1.134 . . . . 52.32 112.482 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -48.51 79.54 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 118.28 -0.867 . . . . 92.48 109.357 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.83 -46.13 89.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 O-C-N 124.35 1.031 . . . . 48.23 110.434 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.1 mt -63.9 -35.1 79.55 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.829 -0.544 . . . . 51.79 111.167 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.78 -36.67 52.63 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.403 -0.904 . . . . 52.65 113.327 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.2 t -68.34 -45.38 73.04 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.22 -0.592 . . . . 56.72 111.313 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LEU . . . . . 0.432 HD21 HD11 ' A' ' 45' ' ' LEU . 2.4 mt -56.05 -56.73 17.23 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.093 0.473 . . . . 72.32 111.227 179.463 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' ' 112' ' ' LEU . . . -65.43 -21.87 66.7 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.74 0.644 . . . . 95.48 112.74 -176.492 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.04 -18.21 35.06 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.816 0.673 . . . . 59.73 112.816 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.5 p -119.26 -7.31 10.29 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 114.062 1.134 . . . . 64.24 114.062 -175.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.51 144.38 38.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 108.49 -0.93 . . . . 69.34 108.49 -177.944 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -85.97 127.72 34.69 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.274 -1.38 . . . . 86.34 107.274 178.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' ' 107' ' ' ALA . 3.0 mp -114.41 149.5 36.12 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 124.57 1.169 . . . . 76.27 110.929 -174.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.335 -0.848 . . . . 95.79 111.482 -175.353 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.855 0.359 . . . . 127.88 110.984 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.89 46.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.347 0.659 . . . . 136.55 111.038 174.779 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -61.5 131.86 92.71 Favored Pre-proline 0 C--O 1.239 0.536 0 O-C-N 122.159 -0.338 . . . . 141.43 110.596 -172.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -75.23 135.21 18.37 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 120.716 0.944 . . . . 124.6 111.43 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.26 141.98 27.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 108.139 -1.06 . . . . 101.06 108.139 178.365 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 130.5 44.91 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.131 -0.486 . . . . 78.7 111.206 -172.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.0 mt -94.87 118.78 32.35 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.913 -0.773 . . . . 72.1 108.913 173.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ARG . . . . . 0.4 ' HB2' ' CZ ' ' B' ' 32' ' ' TYR . 15.3 mtm-85 -107.09 166.55 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.864 0.84 . . . . 113.91 110.321 179.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -121.01 153.15 37.72 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.203 -0.908 . . . . 68.75 110.263 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -160.13 146.26 15.59 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.799 -0.815 . . . . 81.71 108.799 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 25.1 p -70.29 151.64 45.07 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.792 0.806 . . . . 86.01 110.232 175.115 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 21.1 p -159.12 160.26 35.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.524 -0.762 . . . . 68.09 109.169 -174.674 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.12 146.51 26.02 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.317 -0.856 . . . . 76.25 110.643 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.97 153.13 29.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.472 -0.936 . . . . 60.88 108.472 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.71 176.85 38.99 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 119.626 -1.273 . . . . 69.05 112.409 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 36.7 p -69.15 -31.22 69.73 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.561 -0.819 . . . . 77.93 111.454 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' THR . . . . . 0.646 ' H ' ' HB3' ' B' ' 22' ' ' ALA . 2.3 p -127.7 169.28 13.98 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.89 -0.781 . . . . 77.18 108.89 173.296 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -59.84 -50.68 72.86 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.703 -0.68 . . . . 79.88 110.749 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.4 m -60.19 -29.52 68.75 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.676 -0.41 . . . . 80.27 111.442 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ALA . . . . . 0.646 ' HB3' ' H ' ' B' ' 19' ' ' THR . . . -69.17 -18.64 63.95 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 117.887 -1.054 . . . . 81.17 111.138 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 64.8 m -61.37 110.32 1.4 Allowed 'General case' 0 N--CA 1.49 1.532 1 N-CA-C 100.149 -4.019 . . . . 90.61 100.149 179.852 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 2.5 m -107.37 -67.99 0.92 Allowed 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 117.497 2.406 . . . . 122.04 117.497 -177.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -136.99 167.68 21.05 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 102.599 -3.112 . . . . 129.74 102.599 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -59.42 108.58 0.73 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 125.047 1.467 . . . . 109.79 109.542 -177.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -129.27 20.79 5.74 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 124.374 1.046 . . . . 92.01 111.949 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.63 174.89 14.78 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.842 -0.799 . . . . 58.59 108.842 -176.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 tp -128.76 122.71 31.19 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.626 -0.879 . . . . 63.23 108.626 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.17 131.01 46.37 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 122.787 0.435 . . . . 58.57 110.702 -173.216 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -96.37 124.24 40.3 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.201 -1.037 . . . . 53.78 108.201 171.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' B' ' 10' ' ' ARG . 52.0 p90 -141.44 162.57 35.15 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.798 0.808 . . . . 75.41 111.149 -168.785 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -115.9 146.03 42.39 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.602 -1.181 . . . . 87.88 109.516 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -114.88 96.74 5.86 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 118.227 -0.892 . . . . 128.17 109.347 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.9 p -133.54 148.21 51.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 124.674 1.234 . . . . 121.66 109.469 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 50.41 -128.95 2.24 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 124.785 1.303 . . . . 140.55 109.373 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.05 90.37 0.54 Allowed Glycine 0 N--CA 1.476 1.357 0 CA-C-O 118.251 -1.305 . . . . 127.48 111.725 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.47 161.18 8.6 Favored Glycine 0 N--CA 1.476 1.305 0 CA-C-O 118.247 -1.307 . . . . 109.37 111.682 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -100.41 133.52 44.72 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 118.295 -0.86 . . . . 104.47 109.259 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -102.59 103.4 13.71 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 124.608 1.192 . . . . 98.52 107.98 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 57.1 t -84.4 127.83 39.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 108.814 -0.809 . . . . 68.96 108.814 -177.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mt -99.72 -36.16 9.56 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.353 0.871 . . . . 72.7 113.353 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.25 157.62 32.91 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.575 0.625 . . . . 45.23 110.156 -171.612 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' B' ' 89' ' ' TYR . 1.0 OUTLIER -113.89 146.42 40.05 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.013 -0.994 . . . . 71.95 110.142 174.986 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -126.78 126.85 44.12 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.208 -1.034 . . . . 59.56 108.208 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 29.2 t -156.02 163.21 39.98 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.91 -0.716 . . . . 57.74 110.438 -173.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -82.9 -20.7 34.93 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.915 -1.038 . . . . 102.91 112.432 171.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.61 148.08 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.213 0.53 . . . . 74.59 110.275 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLN . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 87' ' ' TYR . 21.8 pt20 -108.68 -3.12 18.15 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.611 0.967 . . . . 102.54 113.611 -175.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -113.66 27.63 9.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.755 0.707 . . . . 88.52 112.608 -174.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 52.9 mt -79.87 142.15 35.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.131 0.491 . . . . 65.07 110.916 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -125.68 -18.2 5.26 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 114.132 1.16 . . . . 89.49 114.132 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -140.87 154.74 46.3 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 119.255 0.934 . . . . 71.52 109.71 -173.079 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.26 139.54 49.66 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.636 -0.711 . . . . 60.44 109.368 174.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -108.4 133.49 52.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.821 -0.437 . . . . 93.96 109.821 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.22 116.81 11.3 Favored Pre-proline 0 C--O 1.248 1.025 0 N-CA-C 109.38 -0.6 . . . . 108.57 109.38 -179.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -86.86 121.63 1.81 Allowed 'Trans proline' 0 C--N 1.329 -0.447 0 CA-C-N 119.124 0.723 . . . . 105.93 111.013 171.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.49 152.44 30.09 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.39 0.614 . . . . 112.4 109.938 175.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -64.93 -28.05 69.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.768 -0.651 . . . . 119.48 112.341 -172.058 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 p30 -75.73 -12.55 60.21 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.199 0.814 . . . . 141.62 113.199 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.53 6.14 86.48 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 118.986 -0.897 . . . . 113.68 115.036 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 32.0 m -56.5 -37.74 70.81 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 118.434 1.117 . . . . 124.45 111.0 174.402 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.61 -166.79 37.89 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.276 -0.964 . . . . 85.26 111.33 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -122.86 150.48 42.83 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.07 -0.565 . . . . 94.44 110.402 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.9 mt -113.89 129.91 68.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.301 -0.863 . . . . 68.66 108.802 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -111.66 133.4 53.93 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.509 -0.922 . . . . 72.54 108.509 175.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 20.8 m -127.46 132.37 50.03 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 110.214 -0.291 . . . . 79.57 110.214 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.42 145.37 54.18 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.55 0.531 . . . . 91.01 110.253 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 mt -111.35 145.04 39.56 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.236 -0.438 . . . . 62.93 110.231 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' B' ' 92' ' ' LYS . 11.1 mt-10 -74.31 164.98 57.44 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.049 -0.523 . . . . 91.82 109.799 173.089 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -57.28 138.65 87.21 Favored 'Trans proline' 0 C--O 1.241 0.663 0 C-N-CA 120.262 0.641 . . . . 65.02 110.623 172.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.63 152.46 59.34 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 CA-C-O 121.938 0.724 . . . . 56.38 112.372 -168.511 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' CYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 87.9 m -104.47 108.23 19.55 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.554 -1.276 . . . . 80.88 107.554 173.886 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -73.21 138.69 45.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 97.58 110.431 -177.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -156.1 165.44 36.42 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.122 -0.631 . . . . 77.0 109.69 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -115.15 138.73 44.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.1 -0.954 . . . . 68.82 109.413 -172.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 10.7 p -120.47 153.54 36.49 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.469 0.708 . . . . 70.75 109.661 175.354 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.86 119.01 31.74 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 108.601 -0.888 . . . . 112.3 108.601 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' B' ' 82' ' ' GLY . 91.3 m -123.22 144.98 44.97 Favored Pre-proline 0 C--O 1.237 0.407 0 O-C-N 124.768 1.292 . . . . 106.14 108.359 -178.726 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.96 -32.27 30.04 Favored 'Trans proline' 0 C--O 1.238 0.491 0 N-CA-C 114.014 0.736 . . . . 132.47 114.014 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -88.13 28.01 1.13 Allowed 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.648 0.61 . . . . 128.75 112.648 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' B' ' 79' ' ' THR . . . 97.04 162.17 31.98 Favored Glycine 0 N--CA 1.443 -0.834 0 O-C-N 122.1 -0.375 . . . . 91.03 112.822 178.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -46.92 143.44 9.54 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 120.65 0.9 . . . . 94.32 113.044 171.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -128.36 145.61 51.02 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.651 -0.704 . . . . 128.36 109.506 174.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -97.23 122.44 48.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.58 -0.896 . . . . 65.39 108.58 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -119.51 166.5 13.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.882 0.873 . . . . 84.84 109.43 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' B' ' 49' ' ' GLN . 94.5 m-85 -126.6 129.1 47.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.481 -0.781 . . . . 66.41 109.485 -178.68 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -107.06 117.89 35.25 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.133 -0.691 . . . . 56.26 109.133 -177.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' B' ' 44' ' ' LEU . 81.7 m-85 -107.15 113.01 26.18 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.829 -0.804 . . . . 65.18 108.829 -178.934 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -77.77 145.79 36.23 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.629 -0.828 . . . . 64.8 109.635 169.145 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.68 137.24 22.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 108.44 -0.948 . . . . 64.81 108.44 170.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' LYS . . . . . 0.413 ' HA ' ' HG2' ' B' ' 70' ' ' GLU . 23.7 ttmt -56.58 132.03 50.5 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.638 -0.425 . . . . 88.51 110.535 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.58 6.78 88.88 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 115.618 1.007 . . . . 54.39 115.618 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.6 129.17 38.81 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.751 1.276 . . . . 52.64 110.227 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' ASN . . . . . . . . . . . . . 41.9 p30 -74.0 172.95 10.72 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.287 -0.965 . . . . 55.17 110.401 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -72.03 -31.71 66.44 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.238 -0.892 . . . . 70.24 112.006 -173.839 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 21.6 tp -58.65 -47.7 83.56 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.444 -0.502 . . . . 63.29 110.899 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -73.93 -31.52 63.09 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.616 -0.434 . . . . 64.27 111.681 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -58.28 -43.17 87.87 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.091 -0.644 . . . . 84.15 110.568 170.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.11 96.78 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.041 -1.076 . . . . 44.47 112.387 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 43.0 mtt -58.97 -42.15 89.26 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.418 -0.513 . . . . 72.8 110.943 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.94 -51.0 76.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.183 0.515 . . . . 47.03 110.256 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.15 -37.29 86.62 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.594 -0.442 . . . . 46.73 111.234 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.97 -46.35 91.67 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 120.002 -1.094 . . . . 60.68 112.303 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 14.3 t -65.35 -40.03 93.09 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 122.168 -0.607 . . . . 55.3 111.537 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 tp -60.76 -40.51 92.75 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.773 -0.371 . . . . 59.9 111.468 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.69 70.87 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.411 -0.516 . . . . 54.22 111.701 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.51 -28.32 23.47 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.721 0.637 . . . . 59.38 112.721 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 72.7 p -102.31 0.33 34.02 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.339 0.866 . . . . 63.87 113.339 -174.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.88 143.34 28.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 106.246 -1.761 . . . . 54.97 106.246 -174.1 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -79.38 87.23 5.04 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.179 -1.415 . . . . 109.04 107.179 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 112' ' ' LEU . 16.1 mt -66.93 158.63 30.28 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.461 0.648 . . . . 81.13 110.737 -177.084 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.079 -1.439 . . . . 143.11 108.842 -177.014 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.416 ' HB3' ' H ' ' A' ' 3' ' ' GLU . 41.3 m-20 . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 118.126 -0.94 . . . . 122.45 109.027 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.416 ' H ' ' HB3' ' A' ' 2' ' ' ASN . 23.4 tp10 -58.18 139.18 55.4 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 124.491 1.119 . . . . 128.11 109.388 -179.838 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.59 ' HB2' ' HB3' ' B' ' 73' ' ' CYS . 1.6 tp -92.95 141.41 28.44 Favored 'General case' 0 N--CA 1.486 1.359 0 CA-C-O 117.972 -1.013 . . . . 122.91 109.634 -177.477 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -79.02 109.95 12.86 Favored Pre-proline 0 N--CA 1.487 1.38 0 O-C-N 125.128 1.518 . . . . 146.3 108.257 177.799 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -102.39 122.58 0.08 OUTLIER 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.771 2.314 . . . . 146.88 110.639 -178.222 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -127.55 140.62 48.62 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.593 0 O-C-N 124.459 1.1 . . . . 136.99 109.004 179.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -97.32 135.06 39.76 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 125.118 1.511 . . . . 113.97 106.97 176.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mt -82.58 111.18 18.33 Favored 'General case' 0 N--CA 1.483 1.194 0 O-C-N 124.306 1.004 . . . . 98.34 108.546 -179.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmt85 -88.88 148.24 23.96 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 124.485 1.116 . . . . 117.28 109.195 -179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.511 ' NE2' ' CZ ' ' A' ' 31' ' ' TYR . 71.0 mt-30 -117.33 145.8 43.78 Favored 'General case' 0 N--CA 1.485 1.285 0 O-C-N 124.67 1.231 . . . . 75.75 108.613 -179.85 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' MET . . . . . 0.568 ' HB3' ' HE2' ' A' ' 32' ' ' TYR . 1.2 ptt? -153.21 141.76 20.83 Favored 'General case' 0 N--CA 1.482 1.147 0 O-C-N 124.443 1.09 . . . . 73.14 108.485 179.251 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.7 p -68.1 142.79 55.7 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 124.571 1.17 . . . . 80.7 108.122 178.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.4 p -152.11 168.2 26.05 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 119.554 -0.858 . . . . 56.02 110.578 -178.724 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -90.75 147.52 23.18 Favored 'General case' 0 N--CA 1.453 -0.307 0 O-C-N 124.841 1.338 . . . . 74.73 110.682 -179.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -151.6 161.65 42.32 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.496 -0.775 . . . . 67.06 108.93 177.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -170.91 169.09 42.17 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 119.972 -1.108 . . . . 56.85 111.757 178.732 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 50' ' ' ASP . 59.6 p -68.34 -26.69 65.72 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 114.375 -0.913 . . . . 67.18 111.966 175.762 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.1 p -131.73 173.4 11.19 Favored 'General case' 0 C--O 1.235 0.33 0 N-CA-C 108.784 -0.821 . . . . 71.78 108.784 174.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.17 -40.22 86.58 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.693 -0.803 . . . . 75.12 110.995 177.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.7 p -69.53 -29.29 66.86 Favored 'General case' 0 C--O 1.236 0.373 0 C-N-CA 120.669 -0.412 . . . . 78.74 111.841 177.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.51 0.16 18.19 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-O 118.4 -0.81 . . . . 85.43 110.347 -178.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.556 ' O ' ' NH1' ' A' ' 55' ' ' ARG . 98.9 m -85.88 105.2 16.2 Favored 'General case' 0 N--CA 1.487 1.408 0 CA-C-O 117.859 -1.067 . . . . 97.72 109.132 178.478 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -133.23 -67.46 0.62 Allowed 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 119.035 -1.066 . . . . 113.5 111.811 -179.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -83.81 172.54 12.08 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-O 118.558 -0.734 . . . . 131.65 110.282 -177.924 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -81.62 92.62 6.59 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 124.439 1.087 . . . . 99.58 108.511 178.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 -94.45 1.63 55.77 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 126.38 1.872 . . . . 98.85 111.888 -176.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -163.15 175.51 10.94 Favored 'General case' 0 C--O 1.234 0.283 0 O-C-N 124.178 0.924 . . . . 53.5 109.131 -174.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 pp -126.33 133.41 51.37 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.457 -0.942 . . . . 72.04 108.457 174.828 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.75 130.17 46.75 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.492 -0.322 . . . . 53.85 110.583 -172.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.511 ' CZ ' ' NE2' ' A' ' 11' ' ' GLN . 45.7 m-85 -83.62 121.49 27.31 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 108.287 -1.005 . . . . 100.83 108.287 167.748 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.568 ' HE2' ' HB3' ' A' ' 12' ' ' MET . 45.4 p90 -136.3 168.66 19.01 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.892 0.853 . . . . 80.52 110.191 -177.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -122.24 133.69 54.7 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.647 -1.161 . . . . 90.86 108.552 174.661 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.2 p -86.58 108.37 18.55 Favored 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 106.688 -1.597 . . . . 129.32 106.688 176.427 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 p -97.05 -166.32 1.38 Allowed 'General case' 0 N--CA 1.484 1.269 0 O-C-N 124.661 1.225 . . . . 132.3 108.922 -179.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.29 -53.92 38.08 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 124.673 1.233 . . . . 136.4 107.696 178.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -140.28 135.96 7.4 Favored Glycine 0 N--CA 1.475 1.27 0 CA-C-O 117.5 -1.722 . . . . 129.34 109.086 177.735 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 88.55 153.48 26.75 Favored Glycine 0 C--N 1.335 0.52 0 C-N-CA 119.959 -1.115 . . . . 125.7 112.756 -178.078 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -105.73 124.63 49.87 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.286 -1.005 . . . . 109.89 108.286 178.505 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -98.66 107.9 20.46 Favored 'General case' 0 C--O 1.236 0.347 0 O-C-N 124.736 1.273 . . . . 80.35 108.332 -178.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 95.1 t -87.35 127.74 40.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 109.194 -0.669 . . . . 67.31 109.194 -174.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -96.27 -47.57 5.97 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 112.515 0.561 . . . . 66.86 112.515 -176.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.73 169.68 22.13 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.477 0.655 . . . . 50.9 109.662 -173.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.7 mp -123.76 141.87 51.62 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 115.251 -0.886 . . . . 50.75 110.009 175.98 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.446 HD12 ' HE2' ' A' ' 31' ' ' TYR . 0.6 OUTLIER -121.02 130.15 53.67 Favored 'General case' 0 C--O 1.236 0.394 0 N-CA-C 108.309 -0.997 . . . . 76.36 108.309 176.977 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 31.1 t -157.86 152.99 25.63 Favored 'General case' 0 C--O 1.234 0.268 0 C-N-CA 119.402 -0.919 . . . . 53.17 110.744 -172.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.9 m-20 -70.47 -20.42 62.87 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 114.996 -1.002 . . . . 83.23 112.339 171.622 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.8 mt -92.42 144.51 25.3 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.218 0.532 . . . . 62.95 110.669 -173.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.524 ' HB3' ' CZ ' ' A' ' 87' ' ' TYR . 9.6 pt20 -107.24 0.88 23.55 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 114.097 1.147 . . . . 91.32 114.097 -174.288 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 18' ' ' THR . 36.9 p-10 -115.85 23.93 11.89 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 119.084 0.856 . . . . 77.92 112.552 -174.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 88.8 mt -79.48 142.83 35.49 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.362 0.601 . . . . 55.69 110.985 -176.331 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -124.26 -32.26 3.21 Favored 'General case' 0 C--O 1.234 0.289 0 N-CA-C 113.502 0.927 . . . . 73.96 113.502 176.513 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' TRP . . . . . . . . . . . . . 88.3 m95 -127.22 152.32 47.55 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 118.572 0.624 . . . . 65.06 110.305 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -120.43 143.16 48.63 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.434 -0.95 . . . . 63.64 108.434 167.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.556 ' NH1' ' O ' ' A' ' 23' ' ' CYS . 58.0 ttp180 -114.47 133.17 55.96 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.766 -0.457 . . . . 99.84 109.766 -177.618 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.6 m-85 -132.86 104.27 12.91 Favored Pre-proline 0 C--O 1.249 1.053 0 N-CA-C 108.665 -0.865 . . . . 74.61 108.665 176.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.0 129.37 31.58 Favored 'Trans proline' 0 C--N 1.329 -0.472 0 CA-C-N 119.049 0.696 . . . . 91.02 110.669 171.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 76.3 mttt -61.44 144.44 54.14 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 115.758 -0.656 . . . . 125.61 111.404 -175.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 14.9 p -65.2 -27.68 68.86 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.517 -0.765 . . . . 112.94 111.55 176.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -76.06 -0.8 23.11 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.98 0.733 . . . . 147.21 112.98 -179.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.48 -4.27 28.24 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-O 118.887 -0.952 . . . . 122.42 115.403 -178.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 60.9 p -64.99 -55.98 15.83 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 118.64 1.22 . . . . 133.38 111.308 -175.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -154.89 -142.3 3.41 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.502 -0.856 . . . . 115.25 114.28 -178.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 41.0 p -133.07 149.33 52.17 Favored 'General case' 0 C--O 1.234 0.259 0 C-N-CA 123.491 0.716 . . . . 103.11 109.696 -179.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 71.6 mt -111.65 132.61 59.77 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 108.294 -1.002 . . . . 67.89 108.294 177.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -114.15 120.71 41.46 Favored 'General case' 0 C--O 1.235 0.309 0 N-CA-C 108.41 -0.959 . . . . 68.0 108.41 174.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -108.85 133.36 52.99 Favored 'General case' 0 C--O 1.236 0.371 0 N-CA-C 108.86 -0.793 . . . . 83.89 108.86 174.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -84.09 150.13 25.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.399 0.618 . . . . 86.56 110.506 -176.698 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.2 mt -103.95 146.92 27.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.566 -0.743 . . . . 54.07 111.353 -174.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -74.2 167.07 39.18 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.195 -0.911 . . . . 83.38 109.104 168.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.4 Cg_exo -57.07 139.44 89.96 Favored 'Trans proline' 0 C--O 1.241 0.636 0 C-N-CA 120.36 0.707 . . . . 70.13 110.887 173.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -70.34 147.56 59.4 Favored 'Trans proline' 0 C--N 1.331 -0.393 0 CA-C-O 121.869 0.695 . . . . 50.47 112.328 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.7 t -102.18 126.31 49.11 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 114.939 -1.028 . . . . 94.03 108.908 168.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -93.62 139.45 30.77 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.464 -0.335 . . . . 90.89 110.466 -174.75 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -158.25 161.32 37.74 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 108.794 -0.817 . . . . 75.9 108.794 175.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 48.8 t -114.65 129.6 70.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 CA-C-N 115.358 -0.837 . . . . 54.71 108.771 -175.236 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 77.4 p -107.94 147.13 31.46 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.206 0.527 . . . . 65.87 110.084 175.411 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -91.29 120.19 31.97 Favored 'General case' 0 C--O 1.235 0.297 0 N-CA-C 108.343 -0.984 . . . . 71.18 108.343 174.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.9 p -124.68 162.56 42.15 Favored Pre-proline 0 C--O 1.238 0.448 0 C-N-CA 124.496 1.119 . . . . 74.22 108.905 -179.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -56.5 -31.26 85.52 Favored 'Trans proline' 0 C--O 1.238 0.478 0 N-CA-C 113.334 0.475 . . . . 78.84 113.334 173.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.8 mttt -75.7 -6.13 49.02 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 112.967 0.729 . . . . 107.03 112.967 175.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.28 179.04 19.41 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 111.209 -0.757 . . . . 77.34 111.209 -176.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -63.73 135.1 46.99 Favored 'Trans proline' 0 C--N 1.332 -0.291 0 CA-C-O 121.293 0.455 . . . . 57.47 111.241 179.516 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -123.62 125.7 45.29 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.675 -0.693 . . . . 82.22 109.506 -178.004 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 89.6 t -78.1 122.12 32.33 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 108.914 -0.773 . . . . 60.26 108.914 178.417 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 64.0 mmtt -120.71 156.46 31.73 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.427 0.632 . . . . 92.99 109.912 179.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.524 ' CZ ' ' HB3' ' A' ' 49' ' ' GLN . 97.4 m-85 -127.2 125.78 41.64 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 115.549 -0.75 . . . . 64.79 109.194 -179.603 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 44.6 tp -104.55 122.29 45.28 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.48 0.712 . . . . 52.75 109.207 -177.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -112.76 118.32 34.65 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.78 -0.822 . . . . 58.26 108.78 179.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -77.92 146.7 35.4 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.455 -0.498 . . . . 50.43 109.733 169.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 1.3 mp -60.12 141.26 16.98 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 108.477 -0.934 . . . . 54.4 108.477 170.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.5 tttm -53.33 118.87 4.15 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.663 -0.699 . . . . 80.82 110.976 178.252 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.13 12.53 63.34 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 116.153 1.221 . . . . 65.18 116.153 175.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.23 131.54 45.96 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 118.834 1.317 . . . . 52.13 110.402 -176.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -66.19 174.41 2.62 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 116.418 -0.356 . . . . 69.36 110.839 -179.595 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASN . . . . . . . . . . . . . 59.6 m-20 -76.03 -32.77 59.51 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.39 -0.524 . . . . 64.45 112.157 -172.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 19.2 tp -60.63 -49.32 77.98 Favored 'General case' 0 C--O 1.237 0.43 0 C-N-CA 120.245 -0.582 . . . . 52.94 110.782 178.146 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -65.67 -39.2 91.1 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 120.849 -0.34 . . . . 61.12 111.326 -179.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 65.0 mtt-85 -57.02 -44.85 83.27 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 120.381 -0.528 . . . . 71.98 110.85 174.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -61.53 -37.66 94.52 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 119.919 -1.134 . . . . 52.32 112.482 176.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -48.51 79.54 Favored 'General case' 0 N--CA 1.485 1.317 0 CA-C-O 118.28 -0.867 . . . . 92.48 109.357 -179.782 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 60.7 t -65.83 -46.13 89.59 Favored 'Isoleucine or valine' 0 C--O 1.237 0.409 0 O-C-N 124.35 1.031 . . . . 48.23 110.434 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.1 mt -63.9 -35.1 79.55 Favored 'General case' 0 C--O 1.235 0.307 0 O-C-N 121.829 -0.544 . . . . 51.79 111.167 179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.78 -36.67 52.63 Favored Glycine 0 C--N 1.334 0.454 0 C-N-CA 120.403 -0.904 . . . . 52.65 113.327 178.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 46.2 t -68.34 -45.38 73.04 Favored 'General case' 0 C--O 1.238 0.485 0 C-N-CA 120.22 -0.592 . . . . 56.72 111.313 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.432 HD21 HD11 ' A' ' 45' ' ' LEU . 2.4 mt -56.05 -56.73 17.23 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.093 0.473 . . . . 72.32 111.227 179.463 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.491 ' HA ' HD11 ' A' ' 112' ' ' LEU . . . -65.43 -21.87 66.7 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 112.74 0.644 . . . . 95.48 112.74 -176.492 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -85.04 -18.21 35.06 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 112.816 0.673 . . . . 59.73 112.816 179.084 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 71.5 p -119.26 -7.31 10.29 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 114.062 1.134 . . . . 64.24 114.062 -175.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -130.51 144.38 38.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 N-CA-C 108.49 -0.93 . . . . 69.34 108.49 -177.944 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -85.97 127.72 34.69 Favored 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 107.274 -1.38 . . . . 86.34 107.274 178.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.491 HD11 ' HA ' ' A' ' 107' ' ' ALA . 3.0 mp -114.41 149.5 36.12 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 124.57 1.169 . . . . 76.27 110.929 -174.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 115.335 -0.848 . . . . 95.79 111.482 -175.353 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.855 0.359 . . . . 127.88 110.984 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.5 mt -99.89 46.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 123.347 0.659 . . . . 136.55 111.038 174.779 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -61.5 131.86 92.71 Favored Pre-proline 0 C--O 1.239 0.536 0 O-C-N 122.159 -0.338 . . . . 141.43 110.596 -172.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -75.23 135.21 18.37 Favored 'Trans proline' 0 C--O 1.234 0.277 0 C-N-CA 120.716 0.944 . . . . 124.6 111.43 -175.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.26 141.98 27.22 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 N-CA-C 108.139 -1.06 . . . . 101.06 108.139 178.365 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.08 130.5 44.91 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.131 -0.486 . . . . 78.7 111.206 -172.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 8.0 mt -94.87 118.78 32.35 Favored 'General case' 0 C--O 1.236 0.362 0 N-CA-C 108.913 -0.773 . . . . 72.1 108.913 173.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.4 ' HB2' ' CZ ' ' B' ' 32' ' ' TYR . 15.3 mtm-85 -107.09 166.55 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.864 0.84 . . . . 113.91 110.321 179.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLN . . . . . . . . . . . . . 18.1 mp0 -121.01 153.15 37.72 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.203 -0.908 . . . . 68.75 110.263 178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' MET . . . . . . . . . . . . . 20.0 ptt? -160.13 146.26 15.59 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 108.799 -0.815 . . . . 81.71 108.799 174.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 25.1 p -70.29 151.64 45.07 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.792 0.806 . . . . 86.01 110.232 175.115 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 21.1 p -159.12 160.26 35.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.524 -0.762 . . . . 68.09 109.169 -174.674 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.12 146.51 26.02 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.317 -0.856 . . . . 76.25 110.643 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.97 153.13 29.06 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 108.472 -0.936 . . . . 60.88 108.472 -179.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.71 176.85 38.99 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 119.626 -1.273 . . . . 69.05 112.409 -177.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' THR . . . . . . . . . . . . . 36.7 p -69.15 -31.22 69.73 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.561 -0.819 . . . . 77.93 111.454 178.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' THR . . . . . 0.646 ' H ' ' HB3' ' B' ' 22' ' ' ALA . 2.3 p -127.7 169.28 13.98 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 108.89 -0.781 . . . . 77.18 108.89 173.296 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -59.84 -50.68 72.86 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 115.703 -0.68 . . . . 79.88 110.749 175.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 11.4 m -60.19 -29.52 68.75 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.676 -0.41 . . . . 80.27 111.442 175.537 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ALA . . . . . 0.646 ' HB3' ' H ' ' B' ' 19' ' ' THR . . . -69.17 -18.64 63.95 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 117.887 -1.054 . . . . 81.17 111.138 -179.688 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' CYS . . . . . . . . . . . . . 64.8 m -61.37 110.32 1.4 Allowed 'General case' 0 N--CA 1.49 1.532 1 N-CA-C 100.149 -4.019 . . . . 90.61 100.149 179.852 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 2.5 m -107.37 -67.99 0.92 Allowed 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 117.497 2.406 . . . . 122.04 117.497 -177.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -136.99 167.68 21.05 Favored 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 102.599 -3.112 . . . . 129.74 102.599 -177.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -59.42 108.58 0.73 Allowed 'General case' 0 N--CA 1.485 1.309 0 O-C-N 125.047 1.467 . . . . 109.79 109.542 -177.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 p30 -129.27 20.79 5.74 Favored 'General case' 0 C--O 1.236 0.343 0 O-C-N 124.374 1.046 . . . . 92.01 111.949 178.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.63 174.89 14.78 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 108.842 -0.799 . . . . 58.59 108.842 -176.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 12.6 tp -128.76 122.71 31.19 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 108.626 -0.879 . . . . 63.23 108.626 179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.17 131.01 46.37 Favored 'General case' 0 C--O 1.234 0.284 0 C-N-CA 122.787 0.435 . . . . 58.57 110.702 -173.216 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -96.37 124.24 40.3 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 108.201 -1.037 . . . . 53.78 108.201 171.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.4 ' CZ ' ' HB2' ' B' ' 10' ' ' ARG . 52.0 p90 -141.44 162.57 35.15 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.798 0.808 . . . . 75.41 111.149 -168.785 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 -115.9 146.03 42.39 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 114.602 -1.181 . . . . 87.88 109.516 175.804 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -114.88 96.74 5.86 Favored 'General case' 0 N--CA 1.489 1.496 0 CA-C-O 118.227 -0.892 . . . . 128.17 109.347 179.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.9 p -133.54 148.21 51.63 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 124.674 1.234 . . . . 121.66 109.469 -179.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 mttt 50.41 -128.95 2.24 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 124.785 1.303 . . . . 140.55 109.373 -179.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . -114.05 90.37 0.54 Allowed Glycine 0 N--CA 1.476 1.357 0 CA-C-O 118.251 -1.305 . . . . 127.48 111.725 -179.902 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 140.47 161.18 8.6 Favored Glycine 0 N--CA 1.476 1.305 0 CA-C-O 118.247 -1.307 . . . . 109.37 111.682 179.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' ARG . . . . . . . . . . . . . 39.0 mtt180 -100.41 133.52 44.72 Favored 'General case' 0 N--CA 1.488 1.461 0 CA-C-O 118.295 -0.86 . . . . 104.47 109.259 179.983 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -102.59 103.4 13.71 Favored 'General case' 0 C--O 1.235 0.341 0 O-C-N 124.608 1.192 . . . . 98.52 107.98 179.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 57.1 t -84.4 127.83 39.46 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 108.814 -0.809 . . . . 68.96 108.814 -177.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 mt -99.72 -36.16 9.56 Favored 'General case' 0 C--O 1.236 0.385 0 N-CA-C 113.353 0.871 . . . . 72.7 113.353 -178.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -158.25 157.62 32.91 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 118.575 0.625 . . . . 45.23 110.156 -171.612 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' B' ' 89' ' ' TYR . 1.0 OUTLIER -113.89 146.42 40.05 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.013 -0.994 . . . . 71.95 110.142 174.986 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 20.4 tp -126.78 126.85 44.12 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 108.208 -1.034 . . . . 59.56 108.208 176.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 29.2 t -156.02 163.21 39.98 Favored 'General case' 0 C--O 1.234 0.272 0 C-N-CA 119.91 -0.716 . . . . 57.74 110.438 -173.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -82.9 -20.7 34.93 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 114.915 -1.038 . . . . 102.91 112.432 171.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 11.0 mt -86.61 148.08 25.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.213 0.53 . . . . 74.59 110.275 -177.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.413 ' HB3' ' CZ ' ' B' ' 87' ' ' TYR . 21.8 pt20 -108.68 -3.12 18.15 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 113.611 0.967 . . . . 102.54 113.611 -175.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 55.0 p-10 -113.66 27.63 9.4 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.755 0.707 . . . . 88.52 112.608 -174.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 52.9 mt -79.87 142.15 35.48 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.131 0.491 . . . . 65.07 110.916 -179.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -125.68 -18.2 5.26 Favored 'General case' 0 C--O 1.237 0.409 0 N-CA-C 114.132 1.16 . . . . 89.49 114.132 175.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -140.87 154.74 46.3 Favored 'General case' 0 CA--C 1.52 -0.211 0 CA-C-N 119.255 0.934 . . . . 71.52 109.71 -173.079 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ALA . . . . . . . . . . . . . . . -131.26 139.54 49.66 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.636 -0.711 . . . . 60.44 109.368 174.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ARG . . . . . . . . . . . . . 38.6 ttp180 -108.4 133.49 52.51 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 109.821 -0.437 . . . . 93.96 109.821 -179.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -136.22 116.81 11.3 Favored Pre-proline 0 C--O 1.248 1.025 0 N-CA-C 109.38 -0.6 . . . . 108.57 109.38 -179.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -86.86 121.63 1.81 Allowed 'Trans proline' 0 C--N 1.329 -0.447 0 CA-C-N 119.124 0.723 . . . . 105.93 111.013 171.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' LYS . . . . . . . . . . . . . 30.4 mtpp -61.49 152.44 30.09 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.39 0.614 . . . . 112.4 109.938 175.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' SER . . . . . . . . . . . . . 2.6 m -64.93 -28.05 69.27 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.768 -0.651 . . . . 119.48 112.341 -172.058 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 27.1 p30 -75.73 -12.55 60.21 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 113.199 0.814 . . . . 141.62 113.199 -176.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.53 6.14 86.48 Favored Glycine 0 N--CA 1.446 -0.674 0 CA-C-O 118.986 -0.897 . . . . 113.68 115.036 -177.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 32.0 m -56.5 -37.74 70.81 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 118.434 1.117 . . . . 124.45 111.0 174.402 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' GLY . . . . . . . . . . . . . . . 176.61 -166.79 37.89 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.276 -0.964 . . . . 85.26 111.33 178.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' THR . . . . . . . . . . . . . 72.1 p -122.86 150.48 42.83 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 115.07 -0.565 . . . . 94.44 110.402 -176.658 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 22.9 mt -113.89 129.91 68.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.301 -0.863 . . . . 68.66 108.802 -174.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -111.66 133.4 53.93 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.509 -0.922 . . . . 72.54 108.509 175.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' THR . . . . . . . . . . . . . 20.8 m -127.46 132.37 50.03 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 110.214 -0.291 . . . . 79.57 110.214 -178.189 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -68.42 145.37 54.18 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 123.55 0.531 . . . . 91.01 110.253 174.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 65.6 mt -111.35 145.04 39.56 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.236 -0.438 . . . . 62.93 110.231 -178.454 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' GLU . . . . . 0.413 ' HG2' ' HA ' ' B' ' 92' ' ' LYS . 11.1 mt-10 -74.31 164.98 57.44 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 116.049 -0.523 . . . . 91.82 109.799 173.089 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -57.28 138.65 87.21 Favored 'Trans proline' 0 C--O 1.241 0.663 0 C-N-CA 120.262 0.641 . . . . 65.02 110.623 172.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.63 152.46 59.34 Favored 'Trans proline' 0 C--N 1.328 -0.504 0 CA-C-O 121.938 0.724 . . . . 56.38 112.372 -168.511 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' CYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 4' ' ' LEU . 87.9 m -104.47 108.23 19.55 Favored 'General case' 0 C--O 1.235 0.315 0 N-CA-C 107.554 -1.276 . . . . 80.88 107.554 173.886 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -73.21 138.69 45.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.446 . . . . 97.58 110.431 -177.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' PHE . . . . . . . . . . . . . 17.8 p90 -156.1 165.44 36.42 Favored 'General case' 0 C--O 1.235 0.307 0 C-N-CA 120.122 -0.631 . . . . 77.0 109.69 178.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 64.8 t -115.15 138.73 44.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.391 0 CA-C-N 115.1 -0.954 . . . . 68.82 109.413 -172.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' THR . . . . . . . . . . . . . 10.7 p -120.47 153.54 36.49 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.469 0.708 . . . . 70.75 109.661 175.354 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -92.86 119.01 31.74 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 108.601 -0.888 . . . . 112.3 108.601 178.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' B' ' 82' ' ' GLY . 91.3 m -123.22 144.98 44.97 Favored Pre-proline 0 C--O 1.237 0.407 0 O-C-N 124.768 1.292 . . . . 106.14 108.359 -178.726 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.96 -32.27 30.04 Favored 'Trans proline' 0 C--O 1.238 0.491 0 N-CA-C 114.014 0.736 . . . . 132.47 114.014 176.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -88.13 28.01 1.13 Allowed 'General case' 0 C--O 1.239 0.501 0 N-CA-C 112.648 0.61 . . . . 128.75 112.648 174.68 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLY . . . . . 0.4 ' O ' ' HB ' ' B' ' 79' ' ' THR . . . 97.04 162.17 31.98 Favored Glycine 0 N--CA 1.443 -0.834 0 O-C-N 122.1 -0.375 . . . . 91.03 112.822 178.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' PRO . . . . . . . . . . . . . 66.6 Cg_exo -46.92 143.44 9.54 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 120.65 0.9 . . . . 94.32 113.044 171.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -128.36 145.61 51.02 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.651 -0.704 . . . . 128.36 109.506 174.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' VAL . . . . . . . . . . . . . 95.6 t -97.23 122.44 48.77 Favored 'Isoleucine or valine' 0 C--O 1.237 0.438 0 N-CA-C 108.58 -0.896 . . . . 65.39 108.58 179.849 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -119.51 166.5 13.03 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 123.882 0.873 . . . . 84.84 109.43 177.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' B' ' 49' ' ' GLN . 94.5 m-85 -126.6 129.1 47.89 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.481 -0.781 . . . . 66.41 109.485 -178.68 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' LEU . . . . . . . . . . . . . 58.5 tp -107.06 117.89 35.25 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 109.133 -0.691 . . . . 56.26 109.133 -177.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' TYR . . . . . 0.458 ' HB2' ' HB2' ' B' ' 44' ' ' LEU . 81.7 m-85 -107.15 113.01 26.18 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 108.829 -0.804 . . . . 65.18 108.829 -178.934 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' PHE . . . . . . . . . . . . . 54.7 m-85 -77.77 145.79 36.23 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 119.629 -0.828 . . . . 64.8 109.635 169.145 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ILE . . . . . . . . . . . . . 3.9 mm -59.68 137.24 22.38 Favored 'Isoleucine or valine' 0 C--O 1.237 0.43 0 N-CA-C 108.44 -0.948 . . . . 64.81 108.44 170.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' LYS . . . . . 0.413 ' HA ' ' HG2' ' B' ' 70' ' ' GLU . 23.7 ttmt -56.58 132.03 50.5 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 120.638 -0.425 . . . . 88.51 110.535 179.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' GLY . . . . . . . . . . . . . . . 81.58 6.78 88.88 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 115.618 1.007 . . . . 54.39 115.618 -178.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' LEU . . . . . . . . . . . . . 15.0 tp -64.6 129.17 38.81 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 118.751 1.276 . . . . 52.64 110.227 179.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' ASN . . . . . . . . . . . . . 41.9 p30 -74.0 172.95 10.72 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.287 -0.965 . . . . 55.17 110.401 -179.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -72.03 -31.71 66.44 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 115.238 -0.892 . . . . 70.24 112.006 -173.839 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' LEU . . . . . . . . . . . . . 21.6 tp -58.65 -47.7 83.56 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.444 -0.502 . . . . 63.29 110.899 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -73.93 -31.52 63.09 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.616 -0.434 . . . . 64.27 111.681 -179.875 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ARG . . . . . . . . . . . . . 64.8 mtt-85 -58.28 -43.17 87.87 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.091 -0.644 . . . . 84.15 110.568 170.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' GLY . . . . . . . . . . . . . . . -62.0 -45.11 96.78 Favored Glycine 0 C--N 1.335 0.498 0 C-N-CA 120.041 -1.076 . . . . 44.47 112.387 179.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' MET . . . . . . . . . . . . . 43.0 mtt -58.97 -42.15 89.26 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.418 -0.513 . . . . 72.8 110.943 179.263 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' VAL . . . . . . . . . . . . . 54.7 t -57.94 -51.0 76.03 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 121.183 0.515 . . . . 47.03 110.256 176.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' LEU . . . . . . . . . . . . . 94.7 mt -63.15 -37.29 86.62 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.594 -0.442 . . . . 46.73 111.234 -179.052 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.97 -46.35 91.67 Favored Glycine 0 C--N 1.335 0.499 0 C-N-CA 120.002 -1.094 . . . . 60.68 112.303 175.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' SER . . . . . . . . . . . . . 14.3 t -65.35 -40.03 93.09 Favored 'General case' 0 C--O 1.238 0.468 0 O-C-N 122.168 -0.607 . . . . 55.3 111.537 177.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' LEU . . . . . . . . . . . . . 35.3 tp -60.76 -40.51 92.75 Favored 'General case' 0 C--O 1.237 0.447 0 C-N-CA 120.773 -0.371 . . . . 59.9 111.468 179.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.73 -29.69 70.87 Favored 'General case' 0 C--O 1.236 0.35 0 C-N-CA 120.411 -0.516 . . . . 54.22 111.701 178.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.51 -28.32 23.47 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 112.721 0.637 . . . . 59.38 112.721 -176.921 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' THR . . . . . . . . . . . . . 72.7 p -102.31 0.33 34.02 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 113.339 0.866 . . . . 63.87 113.339 -174.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' VAL . . . . . . . . . . . . . 1.9 t -140.88 143.34 28.68 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 N-CA-C 106.246 -1.761 . . . . 54.97 106.246 -174.1 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' ARG . . . . . . . . . . . . . 3.2 mmm180 -79.38 87.23 5.04 Favored 'General case' 0 C--O 1.235 0.316 0 N-CA-C 107.179 -1.415 . . . . 109.04 107.179 175.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' B' ' 112' ' ' LEU . 16.1 mt -66.93 158.63 30.28 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.461 0.648 . . . . 81.13 110.737 -177.084 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 117.079 -1.439 . . . . 143.11 108.842 -177.014 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' SO4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_