data_6mqj_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 6mqj _Structure_validation_residue.Date_analyzed 2019-01-04 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo . . . . . 0 N--CA 1.46 -0.485 0 CA-C-O 118.887 -0.547 . . . . 81.75 111.946 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -130.2 109.16 10.58 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 118.521 -1.272 . . . . 80.59 108.85 160.168 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -72.71 -11.95 60.83 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.267 -1.333 . . . . 36.93 112.238 172.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.7 m -56.91 142.73 40.31 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.805 0.729 . . . . 40.2 110.814 -175.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.91 174.16 19.52 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.145 -1.026 . . . . 47.48 111.671 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -107.83 116.73 32.49 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.837 -1.172 . . . . 56.81 107.837 172.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -111.89 136.26 51.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.621 -0.511 . . . . 35.14 109.621 -170.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.4 tttm -116.23 130.75 56.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.17 1.388 . . . . 69.86 108.563 -178.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 tt -69.99 136.01 27.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 119.603 -0.839 . . . . 41.96 110.854 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 pt -116.49 -15.49 9.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 N-CA-C 112.948 0.722 . . . . 41.48 112.948 171.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' O ' ' A' ' 310' ' ' HOH . 26.5 ttp-105 -156.89 141.15 16.51 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.626 1.103 . . . . 58.77 108.836 -175.732 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -145.99 116.16 7.44 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.486 -0.931 . . . . 45.33 108.486 -177.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -123.34 136.38 54.64 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 123.41 0.443 . . . . 96.69 111.179 -173.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t30 70.59 15.91 7.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.268 -0.878 . . . . 55.48 113.021 172.378 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.13 -41.17 86.59 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.168 -0.613 . . . . 45.45 111.056 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.92 -41.07 95.45 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.584 -1.246 . . . . 45.33 110.43 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -65.28 -38.23 89.63 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.274 -0.57 . . . . 64.34 110.283 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tp -57.28 -49.06 77.27 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.671 -0.812 . . . . 37.97 110.54 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.81 -30.75 71.81 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 119.582 -0.847 . . . . 43.41 111.863 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -61.97 -53.73 51.59 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.83 -0.348 . . . . 44.04 111.02 177.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -47.61 -39.55 6.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 121.483 0.659 . . . . 50.86 110.265 172.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.03 1.11 28.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.957 0.725 . . . . 44.85 112.957 -176.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.94 7.34 68.42 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 116.317 1.287 . . . . 41.51 116.317 172.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.2 t -75.4 135.63 26.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 118.981 1.39 . . . . 39.31 109.278 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -69.36 160.11 31.92 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.988 0.899 . . . . 41.44 110.752 -179.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 p -67.06 -42.34 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.205 -0.907 . . . . 38.66 112.463 -158.114 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.4 ttt -60.51 -45.5 93.55 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.652 -1.219 . . . . 70.35 111.114 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -64.59 -34.58 78.58 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.24 -0.584 . . . . 56.3 112.152 174.461 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -62.66 -43.99 97.39 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.451 -1.3 . . . . 40.38 110.543 178.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -63.02 -40.25 97.17 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.851 -0.739 . . . . 35.06 110.14 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.59 -36.14 76.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-O 121.129 0.49 . . . . 50.42 110.561 177.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.66 79.19 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 121.656 -0.653 . . . . 37.4 111.662 176.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.47 -42.93 81.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 120.334 -0.546 . . . . 34.65 109.903 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.03 97.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.219 -0.593 . . . . 34.64 111.039 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -32.42 72.8 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 119.44 -0.904 . . . . 47.25 111.059 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.89 -17.24 63.34 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 112.445 0.535 . . . . 51.54 112.445 -177.587 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.7 p -78.9 -19.01 52.92 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.934 -0.707 . . . . 47.41 112.331 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -117.73 61.97 0.75 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.941 -1.133 . . . . 83.32 107.941 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.5 132.43 41.0 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.764 0.792 . . . . 54.33 109.396 -166.993 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.81 146.55 52.2 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.685 -1.143 . . . . 39.38 110.734 -167.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.48 124.47 65.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 107.83 -1.174 . . . . 37.66 107.83 -177.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -111.87 125.35 53.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.199 -1.038 . . . . 62.42 108.199 175.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.5 mt -122.37 132.92 70.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 108.919 -0.771 . . . . 34.97 108.919 -175.325 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -121.77 121.02 36.29 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.15 -1.426 . . . . 70.11 107.15 165.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -117.5 129.86 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.826 -0.805 . . . . 40.72 108.826 -176.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -129.41 99.69 5.29 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.875 -1.157 . . . . 56.51 107.875 173.942 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.1 -117.75 12.68 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.087 -1.054 . . . . 37.94 111.408 -172.527 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 301' ' ' HOH . 33.4 p-10 -90.93 -3.02 57.65 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 113.113 0.783 . . . . 41.42 113.113 -177.802 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.1 m -102.81 132.35 49.05 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.35 0.66 . . . . 38.83 109.888 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -125.2 135.12 52.27 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.356 -0.384 . . . . 33.71 111.009 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -119.26 117.53 28.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.228 -1.397 . . . . 53.1 107.228 165.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.7 mt -123.76 124.12 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.91 -0.774 . . . . 39.08 108.91 -177.315 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -112.73 115.43 28.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.643 -0.873 . . . . 76.04 108.643 173.774 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.3 t -106.05 131.99 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.977 -1.12 . . . . 41.93 107.977 175.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.3 p -141.7 144.19 33.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.353 -0.539 . . . . 39.36 110.568 -176.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.8 p -116.64 -163.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 125.385 1.474 . . . . 39.06 107.871 168.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -64.02 -38.61 91.71 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.509 -0.877 . . . . 43.35 111.943 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 m -115.63 -3.79 10.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 113.882 1.067 . . . . 29.47 113.882 -173.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -138.69 143.43 39.13 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 119.35 0.977 . . . . 46.39 109.786 -170.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.1 t -143.82 142.59 30.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.059 0.457 . . . . 39.71 109.833 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -149.24 153.14 37.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.109 -1.036 . . . . 59.71 109.007 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -120.3 134.24 55.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.39 -0.823 . . . . 66.57 109.487 -170.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.5 mt -121.74 119.53 59.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.933 -1.506 . . . . 55.25 106.933 176.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -123.2 130.98 53.49 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.583 -0.525 . . . . 58.11 109.583 178.07 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -155.79 165.44 36.49 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 119.424 -0.911 . . . . 39.07 108.612 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -122.66 133.23 54.52 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.755 -1.572 . . . . 41.26 106.755 171.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.79 132.57 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 O-C-N 123.819 0.699 . . . . 33.91 109.547 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.55 -3.79 83.93 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 115.916 1.126 . . . . 42.51 115.916 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -112.87 120.83 42.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 118.933 1.366 . . . . 55.85 109.004 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -57.49 147.14 27.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.561 0.695 . . . . 66.62 110.906 -179.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -151.9 172.29 16.45 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.444 -0.947 . . . . 43.1 108.444 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -111.74 130.22 55.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.374 -0.83 . . . . 68.56 109.965 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -141.11 -150.41 0.31 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.616 -0.883 . . . . 47.98 108.616 172.017 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -133.14 152.23 51.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.118 -0.697 . . . . 65.84 109.118 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.9 p -69.3 173.37 5.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.678 0.751 . . . . 48.71 109.694 172.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.85 -32.57 47.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.596 -0.729 . . . . 58.68 111.214 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -95.91 17.3 15.58 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.589 -0.694 . . . . 60.41 112.304 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.45 2.65 70.13 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 115.924 1.129 . . . . 53.52 115.924 166.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -79.65 133.74 58.69 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 118.559 1.179 . . . . 57.27 109.811 179.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.36 140.99 72.82 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 CA-C-N 118.22 0.4 . . . . 60.01 111.805 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.7 p -143.32 163.38 33.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 122.203 1.002 . . . . 50.55 110.28 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 13.3 mmtt -98.67 133.14 43.42 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.569 -1.196 . . . . 68.68 107.849 169.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.2 m -129.33 150.35 50.73 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.195 0.521 . . . . 40.68 110.932 -172.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.1 tp -143.64 123.52 13.49 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.389 -0.967 . . . . 38.24 108.389 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.1 t -101.99 132.82 47.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 C-N-CA 123.532 0.733 . . . . 33.27 109.048 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -129.88 155.86 45.33 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.604 -0.888 . . . . 37.46 108.604 171.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -78.99 145.83 33.71 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.603 0.716 . . . . 34.23 110.875 172.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -105.37 -21.69 13.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.794 -0.639 . . . . 63.29 112.244 168.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.4 p -170.53 -173.88 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.561 -1.644 . . . . 34.13 106.561 -176.012 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -56.29 -42.8 78.13 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.407 -0.917 . . . . 48.55 111.231 -174.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -119.6 19.34 12.61 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 113.578 0.955 . . . . 55.29 113.578 -170.243 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -134.14 134.82 42.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 119.507 1.049 . . . . 41.52 109.427 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.7 ptp -124.73 151.74 44.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.173 -1.047 . . . . 35.96 108.173 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 61.6 t -129.1 137.91 55.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 108.388 -0.967 . . . . 38.09 108.388 -177.97 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 35.3 t -120.1 125.51 48.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.481 -0.781 . . . . 38.64 109.158 -178.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 80.9 mm-40 -102.24 137.51 40.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.8 -0.815 . . . . 49.35 108.8 171.567 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -119.24 143.81 47.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.569 -0.53 . . . . 47.69 109.569 -176.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 12.2 mmtt -129.25 128.0 42.37 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.737 -1.209 . . . . 76.73 107.737 176.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.06 135.82 57.83 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.46 -0.496 . . . . 57.52 110.916 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 22.6 mt -72.51 -31.14 65.1 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.282 -0.967 . . . . 69.96 111.243 174.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.92 146.52 39.31 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.226 0.536 . . . . 92.26 109.8 -174.17 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.41 -165.27 40.13 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 119.382 -1.39 . . . . 85.98 111.462 172.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -130.82 158.66 39.56 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.818 0.818 . . . . 104.07 109.857 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -171.85 -176.42 40.77 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 110.332 -1.107 . . . . 58.62 110.332 -178.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -66.43 159.79 48.71 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-O 122.078 0.783 . . . . 55.95 110.467 -179.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 11.5 tptt -79.95 123.31 27.68 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 114.629 -1.168 . . . . 54.61 108.65 -179.461 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 82.1 p -121.71 150.21 42.13 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.319 0.581 . . . . 41.51 110.66 -172.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.2 p -160.47 165.5 30.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.952 -1.129 . . . . 46.83 107.952 176.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -139.48 160.26 40.25 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.452 -0.899 . . . . 36.78 110.323 170.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.4 p -133.32 156.26 47.93 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.983 0.897 . . . . 36.03 110.435 173.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 7.2 mtmm -134.15 134.63 42.39 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.686 -1.143 . . . . 50.12 108.573 171.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -141.79 137.05 31.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.111 -0.495 . . . . 71.23 110.163 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.48 126.16 37.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.351 -0.981 . . . . 43.6 108.351 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.6 p -85.73 165.59 16.8 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.723 0.773 . . . . 47.54 109.427 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.34 -0.92 21.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 118.933 -1.107 . . . . 75.0 112.538 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -105.87 16.4 25.24 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.994 0.738 . . . . 84.84 112.994 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.09 18.89 75.87 Favored Glycine 0 C--N 1.332 0.316 0 N-CA-C 115.692 1.037 . . . . 53.06 115.692 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -104.26 147.37 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.449 1.124 . . . . 51.59 110.295 176.728 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.4 tp -103.11 124.63 48.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 106.602 -1.629 . . . . 43.81 106.602 167.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 83.0 mt -111.05 122.76 66.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 N-CA-C 107.455 -1.313 . . . . 47.71 107.455 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -112.71 135.04 53.91 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.022 -0.733 . . . . 76.06 109.022 173.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.4 p -118.74 150.53 39.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.603 -0.888 . . . . 36.4 108.603 171.364 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 48.9 mtm -131.51 139.74 49.36 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.658 -1.238 . . . . 50.61 107.658 171.506 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 96.0 m -126.36 137.88 53.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.839 -0.801 . . . . 42.51 108.839 -172.036 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -134.38 109.37 8.74 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.001 -1.852 . . . . 47.04 106.001 168.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 49.29 -112.63 0.55 Allowed 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.75 0.82 . . . . 56.79 112.208 -172.16 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 127' ' ' ASP . 3.8 p-10 -83.69 -12.37 55.96 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 113.502 0.927 . . . . 73.13 113.502 -175.156 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.3 t -102.74 127.3 56.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 118.942 0.792 . . . . 50.55 109.914 -166.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.95 119.95 63.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 108.852 -0.796 . . . . 42.14 108.852 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.44 135.05 37.56 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.454 -0.943 . . . . 40.77 108.454 169.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.5 m -118.11 133.14 56.17 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.278 -0.638 . . . . 38.9 109.278 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -130.56 134.64 47.19 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.932 -0.766 . . . . 58.76 108.932 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.0 t -119.85 129.44 75.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 O-C-N 124.022 0.826 . . . . 30.98 108.873 -172.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -122.87 154.28 38.5 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.049 0.539 . . . . 34.39 110.282 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.04 159.28 34.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.192 -1.04 . . . . 40.2 108.192 166.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -67.84 133.12 48.64 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.2 -0.909 . . . . 56.09 110.411 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 137' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 . . . . . 0 C--O 1.235 0.332 0 N-CA-C 109.4 -0.593 . . . . 85.0 109.4 178.081 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . 0.408 ' O ' ' OD2' ' A' ' 48' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . 0.406 ' O ' ' NH1' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' PRO . . . . . 0.533 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 57.7 Cg_endo . . . . . 0 N--CA 1.46 -0.485 0 CA-C-O 118.887 -0.547 . . . . 81.75 111.946 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -130.2 109.16 10.58 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 118.521 -1.272 . . . . 80.59 108.85 160.168 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -72.71 -11.95 60.83 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.267 -1.333 . . . . 36.93 112.238 172.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.7 m -56.91 142.73 40.31 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.805 0.729 . . . . 40.2 110.814 -175.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.91 174.16 19.52 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.145 -1.026 . . . . 47.48 111.671 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -107.83 116.73 32.49 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.837 -1.172 . . . . 56.81 107.837 172.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -111.89 136.26 51.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.621 -0.511 . . . . 35.14 109.621 -170.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 137' ' ' GLU . 3.4 tttm -116.23 130.75 56.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.17 1.388 . . . . 69.86 108.563 -178.25 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 tt -69.99 136.01 27.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 119.603 -0.839 . . . . 41.96 110.854 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 pt -116.49 -15.49 9.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 N-CA-C 112.948 0.722 . . . . 41.48 112.948 171.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' O ' ' A' ' 310' ' ' HOH . 26.5 ttp-105 -156.89 141.15 16.51 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.626 1.103 . . . . 58.77 108.836 -175.732 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -145.99 116.16 7.44 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.486 -0.931 . . . . 45.33 108.486 -177.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -123.34 136.38 54.64 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 123.41 0.443 . . . . 96.69 111.179 -173.399 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t30 70.59 15.91 7.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.268 -0.878 . . . . 55.48 113.021 172.378 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.13 -41.17 86.59 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.168 -0.613 . . . . 45.45 111.056 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.92 -41.07 95.45 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.584 -1.246 . . . . 45.33 110.43 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -65.28 -38.23 89.63 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.274 -0.57 . . . . 64.34 110.283 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tp -57.28 -49.06 77.27 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.671 -0.812 . . . . 37.97 110.54 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.81 -30.75 71.81 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 119.582 -0.847 . . . . 43.41 111.863 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -61.97 -53.73 51.59 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.83 -0.348 . . . . 44.04 111.02 177.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -47.61 -39.55 6.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 121.483 0.659 . . . . 50.86 110.265 172.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.03 1.11 28.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.957 0.725 . . . . 44.85 112.957 -176.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.94 7.34 68.42 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 116.317 1.287 . . . . 41.51 116.317 172.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.2 t -75.4 135.63 26.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 118.981 1.39 . . . . 39.31 109.278 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 69.9 m-20 -69.36 160.11 31.92 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.988 0.899 . . . . 41.44 110.752 -179.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 p -67.06 -42.34 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.205 -0.907 . . . . 38.66 112.463 -158.114 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.4 ttt -60.51 -45.5 93.55 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.652 -1.219 . . . . 70.35 111.114 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD23 HD21 ' A' ' 25' ' ' ASN . 2.6 mm? -64.59 -34.58 78.58 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.24 -0.584 . . . . 56.3 112.152 174.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 85.6 mtm-85 -62.66 -43.99 97.39 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.451 -1.3 . . . . 40.38 110.543 178.66 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -63.02 -40.25 97.17 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.851 -0.739 . . . . 35.06 110.14 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.59 -36.14 76.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-O 121.129 0.49 . . . . 50.42 110.561 177.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.66 79.19 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 121.656 -0.653 . . . . 37.4 111.662 176.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.47 -42.93 81.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 120.334 -0.546 . . . . 34.65 109.903 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.03 97.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.219 -0.593 . . . . 34.64 111.039 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -32.42 72.8 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 119.44 -0.904 . . . . 47.25 111.059 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.89 -17.24 63.34 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 112.445 0.535 . . . . 51.54 112.445 -177.587 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.7 p -78.9 -19.01 52.92 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.934 -0.707 . . . . 47.41 112.331 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -117.73 61.97 0.75 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.941 -1.133 . . . . 83.32 107.941 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.5 132.43 41.0 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.764 0.792 . . . . 54.33 109.396 -166.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.81 146.55 52.2 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.685 -1.143 . . . . 39.38 110.734 -167.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' VAL . . . . . 0.608 HG22 HG12 ' A' ' 54' ' ' VAL . 47.5 t -126.48 124.47 65.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 107.83 -1.174 . . . . 37.66 107.83 -177.685 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -111.87 125.35 53.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.199 -1.038 . . . . 62.42 108.199 175.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.5 mt -122.37 132.92 70.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 108.919 -0.771 . . . . 34.97 108.919 -175.325 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -121.77 121.02 36.29 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.15 -1.426 . . . . 70.11 107.15 165.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -117.5 129.86 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.826 -0.805 . . . . 40.72 108.826 -176.179 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -129.41 99.69 5.29 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.875 -1.157 . . . . 56.51 107.875 173.942 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.1 -117.75 12.68 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.087 -1.054 . . . . 37.94 111.408 -172.527 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 301' ' ' HOH . 33.4 p-10 -90.93 -3.02 57.65 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 113.113 0.783 . . . . 41.42 113.113 -177.802 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.1 m -102.81 132.35 49.05 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.35 0.66 . . . . 38.83 109.888 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -125.2 135.12 52.27 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.356 -0.384 . . . . 33.71 111.009 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -119.26 117.53 28.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.228 -1.397 . . . . 54.98 107.228 165.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . 0.419 HD13 ' HE3' ' A' ' 111' ' ' LYS . 90.7 mt -123.76 124.12 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.91 -0.774 . . . . 39.08 108.91 -177.315 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -112.73 115.43 28.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.643 -0.873 . . . . 76.04 108.643 173.774 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' VAL . . . . . 0.608 HG12 HG22 ' A' ' 41' ' ' VAL . 93.3 t -106.05 131.99 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.977 -1.12 . . . . 41.93 107.977 175.969 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.3 p -141.7 144.19 33.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.353 -0.539 . . . . 39.36 110.568 -176.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.8 p -116.64 -163.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 125.385 1.474 . . . . 39.06 107.871 168.835 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -64.02 -38.61 91.71 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.509 -0.877 . . . . 43.35 111.943 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 m -115.63 -3.79 10.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 113.882 1.067 . . . . 29.47 113.882 -173.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -138.69 143.43 39.13 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 119.35 0.977 . . . . 46.39 109.786 -170.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.1 t -143.82 142.59 30.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.059 0.457 . . . . 39.71 109.833 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -149.24 153.14 37.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.109 -1.036 . . . . 59.71 109.007 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -120.3 134.24 55.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.39 -0.823 . . . . 66.57 109.487 -170.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.5 mt -121.74 119.53 59.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.933 -1.506 . . . . 55.25 106.933 176.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -123.2 130.98 53.49 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.583 -0.525 . . . . 58.11 109.583 178.07 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -155.79 165.44 36.49 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 119.424 -0.911 . . . . 39.07 108.612 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -122.66 133.23 54.52 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.755 -1.572 . . . . 47.6 106.755 171.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.79 132.57 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 O-C-N 123.819 0.699 . . . . 33.91 109.547 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.55 -3.79 83.93 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 115.916 1.126 . . . . 42.51 115.916 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -112.87 120.83 42.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 118.933 1.366 . . . . 55.85 109.004 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -57.49 147.14 27.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.561 0.695 . . . . 66.62 110.906 -179.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -151.9 172.29 16.45 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.444 -0.947 . . . . 43.1 108.444 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -111.74 130.22 55.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.374 -0.83 . . . . 68.56 109.965 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -141.11 -150.41 0.31 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.616 -0.883 . . . . 47.98 108.616 172.017 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -133.14 152.23 51.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.118 -0.697 . . . . 65.84 109.118 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.9 p -69.3 173.37 5.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.678 0.751 . . . . 48.71 109.694 172.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.85 -32.57 47.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.596 -0.729 . . . . 58.68 111.214 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -95.91 17.3 15.58 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.589 -0.694 . . . . 60.41 112.304 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.45 2.65 70.13 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 115.924 1.129 . . . . 53.52 115.924 166.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' ARG . . . . . 0.504 HH12 ' HD2' ' A' ' 105' ' ' PRO . 59.2 mtp180 -79.65 133.74 58.69 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 118.559 1.179 . . . . 57.27 109.811 179.976 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.36 140.99 72.82 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 CA-C-N 118.22 0.4 . . . . 60.01 111.805 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.7 p -143.32 163.38 33.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 122.203 1.002 . . . . 50.55 110.28 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' HG2' HD21 ' A' ' 100' ' ' LEU . 13.3 mmtt -98.67 133.14 43.42 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.569 -1.196 . . . . 68.68 107.849 169.015 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.2 m -129.33 150.35 50.73 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.195 0.521 . . . . 40.68 110.932 -172.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.1 tp -143.64 123.52 13.49 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.389 -0.967 . . . . 38.24 108.389 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.1 t -101.99 132.82 47.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 C-N-CA 123.532 0.733 . . . . 33.27 109.048 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -129.88 155.86 45.33 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.604 -0.888 . . . . 37.46 108.604 171.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -78.99 145.83 33.71 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.603 0.716 . . . . 34.23 110.875 172.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -105.37 -21.69 13.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.794 -0.639 . . . . 63.29 112.244 168.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.4 p -170.53 -173.88 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.561 -1.644 . . . . 34.13 106.561 -176.012 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -56.29 -42.8 78.13 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.407 -0.917 . . . . 48.55 111.231 -174.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASN . . . . . 0.533 ' OD1' ' HB3' ' A' ' 1' ' ' PRO . 74.3 m-20 -119.6 19.34 12.61 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 113.578 0.955 . . . . 55.29 113.578 -170.243 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -134.14 134.82 42.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 119.507 1.049 . . . . 41.52 109.427 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.7 ptp -124.73 151.74 44.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.173 -1.047 . . . . 35.96 108.173 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . 0.479 HG12 HG22 ' A' ' 110' ' ' THR . 61.6 t -129.1 137.91 55.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 108.388 -0.967 . . . . 38.09 108.388 -177.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 35.3 t -120.1 125.51 48.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.481 -0.781 . . . . 38.64 109.158 -178.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 80.9 mm-40 -102.24 137.51 40.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.8 -0.815 . . . . 49.35 108.8 171.567 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -119.24 143.81 47.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.569 -0.53 . . . . 47.69 109.569 -176.932 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 12.2 mmtt -129.25 128.0 42.37 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.737 -1.209 . . . . 76.73 107.737 176.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.06 135.82 57.83 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.46 -0.496 . . . . 57.52 110.916 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' LEU . . . . . 0.42 HD21 ' HG2' ' A' ' 82' ' ' LYS . 22.6 mt -72.51 -31.14 65.1 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.282 -0.967 . . . . 69.96 111.243 174.022 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.92 146.52 39.31 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.226 0.536 . . . . 92.26 109.8 -174.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.41 -165.27 40.13 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 119.382 -1.39 . . . . 85.98 111.462 172.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -130.82 158.66 39.56 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.818 0.818 . . . . 104.07 109.857 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -171.85 -176.42 40.77 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 110.332 -1.107 . . . . 58.62 110.332 -178.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' HH12 ' A' ' 79' ' ' ARG . 13.6 Cg_exo -66.43 159.79 48.71 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-O 122.078 0.783 . . . . 55.95 110.467 -179.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 11.5 tptt -79.95 123.31 27.68 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 114.629 -1.168 . . . . 54.61 108.65 -179.461 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 124' ' ' THR . 82.1 p -121.71 150.21 42.13 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.319 0.581 . . . . 41.51 110.66 -172.244 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.2 p -160.47 165.5 30.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.952 -1.129 . . . . 46.83 107.952 176.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -139.48 160.26 40.25 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.452 -0.899 . . . . 36.78 110.323 170.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' THR . . . . . 0.479 HG22 HG12 ' A' ' 94' ' ' VAL . 22.4 p -133.32 156.26 47.93 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.983 0.897 . . . . 36.03 110.435 173.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' LYS . . . . . 0.419 ' HE3' HD13 ' A' ' 52' ' ' ILE . 7.2 mtmm -134.15 134.63 42.39 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.686 -1.143 . . . . 50.12 108.573 171.794 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -141.79 137.05 31.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.111 -0.495 . . . . 71.23 110.163 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.48 126.16 37.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.351 -0.981 . . . . 43.6 108.351 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.6 p -85.73 165.59 16.8 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.723 0.773 . . . . 47.54 109.427 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.34 -0.92 21.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 118.933 -1.107 . . . . 75.0 112.538 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -105.87 16.4 25.24 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.994 0.738 . . . . 84.84 112.994 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.09 18.89 75.87 Favored Glycine 0 C--N 1.332 0.316 0 N-CA-C 115.692 1.037 . . . . 53.06 115.692 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -104.26 147.37 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.449 1.124 . . . . 51.59 110.295 176.728 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.4 tp -103.11 124.63 48.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 106.602 -1.629 . . . . 43.81 106.602 167.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 83.0 mt -111.05 122.76 66.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 N-CA-C 107.455 -1.313 . . . . 47.71 107.455 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -112.71 135.04 53.91 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.022 -0.733 . . . . 76.06 109.022 173.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.4 p -118.74 150.53 39.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.603 -0.888 . . . . 36.4 108.603 171.364 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 48.9 mtm -131.51 139.74 49.36 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.658 -1.238 . . . . 50.61 107.658 171.506 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 107' ' ' THR . 96.0 m -126.36 137.88 53.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.839 -0.801 . . . . 42.51 108.839 -172.036 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -134.38 109.37 8.74 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.001 -1.852 . . . . 47.04 106.001 168.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 49.29 -112.63 0.55 Allowed 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.75 0.82 . . . . 56.79 112.208 -172.16 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.69 -12.37 55.96 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 113.502 0.927 . . . . 73.13 113.502 -175.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.3 t -102.74 127.3 56.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 118.942 0.792 . . . . 50.55 109.914 -166.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.95 119.95 63.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 108.852 -0.796 . . . . 42.14 108.852 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.44 135.05 37.56 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.454 -0.943 . . . . 40.77 108.454 169.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.5 m -118.11 133.14 56.17 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.278 -0.638 . . . . 38.9 109.278 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -130.56 134.64 47.19 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.932 -0.766 . . . . 58.76 108.932 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.0 t -119.85 129.44 75.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 O-C-N 124.022 0.826 . . . . 30.98 108.873 -172.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -122.87 154.28 38.5 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.049 0.539 . . . . 34.39 110.282 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.04 159.28 34.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.192 -1.04 . . . . 40.2 108.192 166.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -67.84 133.12 48.64 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.2 -0.909 . . . . 56.09 110.411 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 137' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 8' ' ' LYS . 7.7 mt-10 . . . . . 0 C--O 1.235 0.332 0 N-CA-C 109.4 -0.593 . . . . 85.0 109.4 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' RET . . . . . 0.637 H171 ' H8 ' ' A' ' 201' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . 0.408 ' O ' ' OD2' ' A' ' 48' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . 0.406 ' O ' ' NH1' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.533 ' HB3' ' OD1' ' A' ' 91' ' ' ASN . 57.7 Cg_endo . . . . . 0 N--CA 1.46 -0.485 0 CA-C-O 118.887 -0.547 . . . . 81.75 111.946 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -130.2 109.16 10.58 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 118.521 -1.272 . . . . 80.59 108.85 160.168 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -72.71 -11.95 60.83 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 114.267 -1.333 . . . . 36.93 112.238 172.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 47.7 m -56.91 142.73 40.31 Favored 'General case' 0 C--N 1.342 0.253 0 CA-C-N 118.805 0.729 . . . . 40.2 110.814 -175.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.91 174.16 19.52 Favored Glycine 0 N--CA 1.453 -0.185 0 C-N-CA 120.145 -1.026 . . . . 47.48 111.671 -178.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.5 m-80 -107.83 116.73 32.49 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 107.837 -1.172 . . . . 56.81 107.837 172.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -111.89 136.26 51.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 109.621 -0.511 . . . . 35.14 109.621 -170.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.468 ' HB2' ' HG3' ' A' ' 137' ' ' GLU . 3.4 tttm -116.23 130.75 56.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 125.17 1.388 . . . . 69.86 108.563 -178.25 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.0 tt -69.99 136.01 27.02 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 C-N-CA 119.603 -0.839 . . . . 41.96 110.854 -178.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.7 pt -116.49 -15.49 9.5 Favored 'Isoleucine or valine' 0 C--O 1.242 0.671 0 N-CA-C 112.948 0.722 . . . . 41.48 112.948 171.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' O ' ' A' ' 310' ' ' HOH . 26.5 ttp-105 -156.89 141.15 16.51 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 119.626 1.103 . . . . 58.77 108.836 -175.732 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.2 t -145.99 116.16 7.44 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 108.486 -0.931 . . . . 45.33 108.486 -177.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -123.34 136.38 54.64 Favored 'General case' 0 C--O 1.237 0.436 0 O-C-N 123.41 0.443 . . . . 96.69 111.179 -173.399 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t30 70.59 15.91 7.01 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.268 -0.878 . . . . 55.48 113.021 172.378 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.13 -41.17 86.59 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 120.168 -0.613 . . . . 45.45 111.056 -178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.92 -41.07 95.45 Favored 'General case' 0 C--O 1.239 0.513 0 C-N-CA 118.584 -1.246 . . . . 45.33 110.43 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -65.28 -38.23 89.63 Favored 'General case' 0 C--O 1.236 0.375 0 C-N-CA 120.274 -0.57 . . . . 64.34 110.283 -178.796 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.3 tp -57.28 -49.06 77.27 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 119.671 -0.812 . . . . 37.97 110.54 175.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.9 mt -63.81 -30.75 71.81 Favored 'General case' 0 C--O 1.241 0.637 0 C-N-CA 119.582 -0.847 . . . . 43.41 111.863 -178.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -61.97 -53.73 51.59 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 120.83 -0.348 . . . . 44.04 111.02 177.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.1 t -47.61 -39.55 6.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 CA-C-O 121.483 0.659 . . . . 50.86 110.265 172.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.5 mt -80.03 1.11 28.98 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.957 0.725 . . . . 44.85 112.957 -176.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 89.94 7.34 68.42 Favored Glycine 0 N--CA 1.449 -0.493 0 N-CA-C 116.317 1.287 . . . . 41.51 116.317 172.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 84.2 t -75.4 135.63 26.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 118.981 1.39 . . . . 39.31 109.278 178.213 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' A' ' 29' ' ' ARG . 69.9 m-20 -69.36 160.11 31.92 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.988 0.899 . . . . 41.44 110.752 -179.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 p -67.06 -42.34 88.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-N 115.205 -0.907 . . . . 38.66 112.463 -158.114 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' MET . . . . . . . . . . . . . 18.4 ttt -60.51 -45.5 93.55 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 118.652 -1.219 . . . . 70.35 111.114 -178.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.42 HD23 HD21 ' A' ' 25' ' ' ASN . 2.6 mm? -64.59 -34.58 78.58 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 120.24 -0.584 . . . . 56.3 112.152 174.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.497 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 85.6 mtm-85 -62.66 -43.99 97.39 Favored 'General case' 0 C--O 1.237 0.423 0 C-N-CA 118.451 -1.3 . . . . 40.38 110.543 178.66 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -63.02 -40.25 97.17 Favored 'General case' 0 C--O 1.233 0.227 0 C-N-CA 119.851 -0.739 . . . . 35.06 110.14 -179.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 60.6 mt -65.59 -36.14 76.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.528 0 CA-C-O 121.129 0.49 . . . . 50.42 110.561 177.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.29 -42.66 79.19 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 121.656 -0.653 . . . . 37.4 111.662 176.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 77.4 t -57.47 -42.93 81.87 Favored 'Isoleucine or valine' 0 C--O 1.241 0.612 0 C-N-CA 120.334 -0.546 . . . . 34.65 109.903 178.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.19 -44.03 97.94 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 120.219 -0.593 . . . . 34.64 111.039 177.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.91 -32.42 72.8 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 119.44 -0.904 . . . . 47.25 111.059 179.408 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.89 -17.24 63.34 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 112.445 0.535 . . . . 51.54 112.445 -177.587 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 80.7 p -78.9 -19.01 52.92 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 119.934 -0.707 . . . . 47.41 112.331 179.407 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.0 mtmt -117.73 61.97 0.75 Allowed 'General case' 0 C--O 1.235 0.297 0 N-CA-C 107.941 -1.133 . . . . 83.32 107.941 -179.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -133.5 132.43 41.0 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 121.764 0.792 . . . . 54.33 109.396 -166.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -131.81 146.55 52.2 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 114.685 -1.143 . . . . 39.38 110.734 -167.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.608 HG22 HG12 ' A' ' 54' ' ' VAL . 47.5 t -126.48 124.47 65.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 N-CA-C 107.83 -1.174 . . . . 37.66 107.83 -177.685 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -111.87 125.35 53.93 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.199 -1.038 . . . . 62.42 108.199 175.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 51.5 mt -122.37 132.92 70.11 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 N-CA-C 108.919 -0.771 . . . . 34.97 108.919 -175.325 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt -121.77 121.02 36.29 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.15 -1.426 . . . . 70.11 107.15 165.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -117.5 129.86 56.08 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 108.826 -0.805 . . . . 40.72 108.826 -176.179 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -129.41 99.69 5.29 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 107.875 -1.157 . . . . 56.51 107.875 173.942 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.1 -117.75 12.68 Favored Glycine 0 CA--C 1.521 0.431 0 C-N-CA 120.087 -1.054 . . . . 37.94 111.408 -172.527 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 301' ' ' HOH . 33.4 p-10 -90.93 -3.02 57.65 Favored 'General case' 0 C--O 1.234 0.283 0 N-CA-C 113.113 0.783 . . . . 41.42 113.113 -177.802 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.1 m -102.81 132.35 49.05 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 123.35 0.66 . . . . 38.83 109.888 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -125.2 135.12 52.27 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.356 -0.384 . . . . 33.71 111.009 -176.314 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.517 ' HD1' HD21 ' A' ' 64' ' ' ASN . 21.0 t80 -119.26 117.53 28.84 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 107.228 -1.397 . . . . 54.98 107.228 165.032 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.419 HD13 ' HE3' ' A' ' 111' ' ' LYS . 90.7 mt -123.76 124.12 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.91 -0.774 . . . . 39.08 108.91 -177.315 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -112.73 115.43 28.51 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.643 -0.873 . . . . 76.04 108.643 173.774 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.608 HG12 HG22 ' A' ' 41' ' ' VAL . 93.3 t -106.05 131.99 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 N-CA-C 107.977 -1.12 . . . . 41.93 107.977 175.969 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.3 p -141.7 144.19 33.94 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.353 -0.539 . . . . 39.36 110.568 -176.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 68.8 p -116.64 -163.76 0.93 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 125.385 1.474 . . . . 39.06 107.871 168.835 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 90.5 m -64.02 -38.61 91.71 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 119.509 -0.877 . . . . 43.35 111.943 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.5 m -115.63 -3.79 10.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 113.882 1.067 . . . . 29.47 113.882 -173.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 19.3 t80 -138.69 143.43 39.13 Favored 'General case' 0 CA--C 1.518 -0.254 0 CA-C-N 119.35 0.977 . . . . 46.39 109.786 -170.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.1 t -143.82 142.59 30.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.059 0.457 . . . . 39.71 109.833 175.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.1 t -149.24 153.14 37.13 Favored 'General case' 0 N--CA 1.45 -0.443 0 C-N-CA 119.109 -1.036 . . . . 59.71 109.007 -178.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 85.8 mt-10 -120.3 134.24 55.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.39 -0.823 . . . . 66.57 109.487 -170.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.5 mt -121.74 119.53 59.07 Favored 'Isoleucine or valine' 0 C--O 1.239 0.548 0 N-CA-C 106.933 -1.506 . . . . 55.25 106.933 176.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.517 HD21 ' HD1' ' A' ' 51' ' ' TYR . 8.2 m120 -123.2 130.98 53.49 Favored 'General case' 0 CA--C 1.515 -0.374 0 N-CA-C 109.583 -0.525 . . . . 58.11 109.583 178.07 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 45.7 p90 -155.79 165.44 36.49 Favored 'General case' 0 N--CA 1.447 -0.595 0 C-N-CA 119.424 -0.911 . . . . 39.07 108.612 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -122.66 133.23 54.52 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 106.755 -1.572 . . . . 47.6 106.755 171.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.3 t -53.79 132.57 16.58 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.579 0 O-C-N 123.819 0.699 . . . . 33.91 109.547 -177.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 83.55 -3.79 83.93 Favored Glycine 0 N--CA 1.448 -0.527 0 N-CA-C 115.916 1.126 . . . . 42.51 115.916 178.483 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -112.87 120.83 42.78 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 118.933 1.366 . . . . 55.85 109.004 178.982 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -57.49 147.14 27.46 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.561 0.695 . . . . 66.62 110.906 -179.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 23.3 p90 -151.9 172.29 16.45 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 108.444 -0.947 . . . . 43.1 108.444 177.589 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -111.74 130.22 55.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.374 -0.83 . . . . 68.56 109.965 -177.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -141.11 -150.41 0.31 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 108.616 -0.883 . . . . 47.98 108.616 172.017 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -133.14 152.23 51.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.118 -0.697 . . . . 65.84 109.118 176.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 81.9 p -69.3 173.37 5.81 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.678 0.751 . . . . 48.71 109.694 172.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 89.1 t -58.85 -32.57 47.39 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.596 -0.729 . . . . 58.68 111.214 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -95.91 17.3 15.58 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 121.589 -0.694 . . . . 60.41 112.304 178.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 91.45 2.65 70.13 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 115.924 1.129 . . . . 53.52 115.924 166.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.504 HH12 ' HD2' ' A' ' 105' ' ' PRO . 59.2 mtp180 -79.65 133.74 58.69 Favored Pre-proline 0 C--N 1.323 -0.575 0 CA-C-N 118.559 1.179 . . . . 57.27 109.811 179.976 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -64.36 140.99 72.82 Favored 'Trans proline' 0 CA--C 1.52 -0.177 0 CA-C-N 118.22 0.4 . . . . 60.01 111.805 178.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' CYS . . . . . . . . . . . . . 29.7 p -143.32 163.38 33.18 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 122.203 1.002 . . . . 50.55 110.28 -178.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' HG2' HD21 ' A' ' 100' ' ' LEU . 13.3 mmtt -98.67 133.14 43.42 Favored 'General case' 0 C--O 1.24 0.571 0 CA-C-N 114.569 -1.196 . . . . 68.68 107.849 169.015 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.2 m -129.33 150.35 50.73 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.195 0.521 . . . . 40.68 110.932 -172.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 62.1 tp -143.64 123.52 13.49 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 108.389 -0.967 . . . . 38.24 108.389 177.386 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 79.1 t -101.99 132.82 47.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 C-N-CA 123.532 0.733 . . . . 33.27 109.048 -178.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -129.88 155.86 45.33 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 108.604 -0.888 . . . . 37.46 108.604 171.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -78.99 145.83 33.71 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.603 0.716 . . . . 34.23 110.875 172.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -105.37 -21.69 13.18 Favored 'General case' 0 C--O 1.239 0.516 0 CA-C-N 115.794 -0.639 . . . . 63.29 112.244 168.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 88.4 p -170.53 -173.88 1.52 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 106.561 -1.644 . . . . 34.13 106.561 -176.012 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -56.29 -42.8 78.13 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 119.407 -0.917 . . . . 48.55 111.231 -174.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.533 ' OD1' ' HB3' ' A' ' 1' ' ' PRO . 74.3 m-20 -119.6 19.34 12.61 Favored 'General case' 0 CA--C 1.522 -0.122 0 N-CA-C 113.578 0.955 . . . . 55.29 113.578 -170.243 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -134.14 134.82 42.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 119.507 1.049 . . . . 41.52 109.427 179.421 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 16.7 ptp -124.73 151.74 44.66 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 108.173 -1.047 . . . . 35.96 108.173 176.633 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.479 HG12 HG22 ' A' ' 110' ' ' THR . 61.6 t -129.1 137.91 55.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 108.388 -0.967 . . . . 38.09 108.388 -177.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' CYS . . . . . . . . . . . . . 35.3 t -120.1 125.51 48.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.481 -0.781 . . . . 38.64 109.158 -178.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' OE2' ' NZ ' ' A' ' 106' ' ' LYS . 80.9 mm-40 -102.24 137.51 40.41 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 108.8 -0.815 . . . . 49.35 108.8 171.567 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -119.24 143.81 47.1 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.569 -0.53 . . . . 47.69 109.569 -176.932 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 98' ' ' LYS . 12.2 mmtt -129.25 128.0 42.37 Favored 'General case' 0 C--O 1.235 0.342 0 N-CA-C 107.737 -1.209 . . . . 76.73 107.737 176.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.06 135.82 57.83 Favored 'General case' 0 C--O 1.233 0.225 0 C-N-CA 120.46 -0.496 . . . . 57.52 110.916 -178.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.42 HD21 ' HG2' ' A' ' 82' ' ' LYS . 22.6 mt -72.51 -31.14 65.1 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.282 -0.967 . . . . 69.96 111.243 174.022 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.92 146.52 39.31 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.226 0.536 . . . . 92.26 109.8 -174.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 66.41 -165.27 40.13 Favored Glycine 0 N--CA 1.446 -0.649 0 C-N-CA 119.382 -1.39 . . . . 85.98 111.462 172.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -130.82 158.66 39.56 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 121.818 0.818 . . . . 104.07 109.857 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -171.85 -176.42 40.77 Favored Glycine 0 N--CA 1.439 -1.147 0 N-CA-C 110.332 -1.107 . . . . 58.62 110.332 -178.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.504 ' HD2' HH12 ' A' ' 79' ' ' ARG . 13.6 Cg_exo -66.43 159.79 48.71 Favored 'Trans proline' 0 C--N 1.327 -0.554 0 CA-C-O 122.078 0.783 . . . . 55.95 110.467 -179.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.452 ' NZ ' ' OE2' ' A' ' 96' ' ' GLU . 11.5 tptt -79.95 123.31 27.68 Favored 'General case' 0 C--O 1.238 0.485 0 CA-C-N 114.629 -1.168 . . . . 54.61 108.65 -179.461 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' THR . . . . . 0.404 ' HA ' ' O ' ' A' ' 124' ' ' THR . 82.1 p -121.71 150.21 42.13 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.319 0.581 . . . . 41.51 110.66 -172.244 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 89.2 p -160.47 165.5 30.87 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 107.952 -1.129 . . . . 46.83 107.952 176.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 48.5 p-90 -139.48 160.26 40.25 Favored 'General case' 0 C--O 1.235 0.337 0 C-N-CA 119.452 -0.899 . . . . 36.78 110.323 170.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' THR . . . . . 0.479 HG22 HG12 ' A' ' 94' ' ' VAL . 22.4 p -133.32 156.26 47.93 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.983 0.897 . . . . 36.03 110.435 173.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.419 ' HE3' HD13 ' A' ' 52' ' ' ILE . 7.2 mtmm -134.15 134.63 42.39 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-N 114.686 -1.143 . . . . 50.12 108.573 171.794 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 tt0 -141.79 137.05 31.26 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.111 -0.495 . . . . 71.23 110.163 -179.884 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 4.5 tp -92.48 126.16 37.44 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.351 -0.981 . . . . 43.6 108.351 173.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 6.6 p -85.73 165.59 16.8 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.723 0.773 . . . . 47.54 109.427 -177.694 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -75.34 -0.92 21.42 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 118.933 -1.107 . . . . 75.0 112.538 176.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 81.3 m-20 -105.87 16.4 25.24 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.994 0.738 . . . . 84.84 112.994 -179.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.09 18.89 75.87 Favored Glycine 0 C--N 1.332 0.316 0 N-CA-C 115.692 1.037 . . . . 53.06 115.692 -179.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -104.26 147.37 27.56 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 118.449 1.124 . . . . 51.59 110.295 176.728 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 29.4 tp -103.11 124.63 48.92 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 106.602 -1.629 . . . . 43.81 106.602 167.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 83.0 mt -111.05 122.76 66.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 N-CA-C 107.455 -1.313 . . . . 47.71 107.455 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -112.71 135.04 53.91 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.022 -0.733 . . . . 76.06 109.022 173.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 11.4 p -118.74 150.53 39.61 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.603 -0.888 . . . . 36.4 108.603 171.364 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 48.9 mtm -131.51 139.74 49.36 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 107.658 -1.238 . . . . 50.61 107.658 171.506 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 107' ' ' THR . 96.0 m -126.36 137.88 53.51 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.839 -0.801 . . . . 42.51 108.839 -172.036 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -134.38 109.37 8.74 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 106.001 -1.852 . . . . 47.04 106.001 168.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 49.29 -112.63 0.55 Allowed 'General case' 0 C--O 1.233 0.192 0 C-N-CA 123.75 0.82 . . . . 56.79 112.208 -172.16 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -83.69 -12.37 55.96 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 113.502 0.927 . . . . 73.13 113.502 -175.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' VAL . . . . . . . . . . . . . 75.3 t -102.74 127.3 56.6 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-N 118.942 0.792 . . . . 50.55 109.914 -166.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.4 t -114.95 119.95 63.18 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 N-CA-C 108.852 -0.796 . . . . 42.14 108.852 179.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 1.7 t -95.44 135.05 37.56 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 108.454 -0.943 . . . . 40.77 108.454 169.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 98.5 m -118.11 133.14 56.17 Favored 'General case' 0 C--O 1.236 0.391 0 N-CA-C 109.278 -0.638 . . . . 38.9 109.278 179.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -130.56 134.64 47.19 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 108.932 -0.766 . . . . 58.76 108.932 179.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.0 t -119.85 129.44 75.4 Favored 'Isoleucine or valine' 0 C--O 1.237 0.398 0 O-C-N 124.022 0.826 . . . . 30.98 108.873 -172.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 134' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -122.87 154.28 38.5 Favored 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.049 0.539 . . . . 34.39 110.282 -177.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 35.7 m -126.04 159.28 34.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 N-CA-C 108.192 -1.04 . . . . 40.2 108.192 166.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 58.1 mtt-85 -67.84 133.12 48.64 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.2 -0.909 . . . . 56.09 110.411 -179.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 137' ' ' GLU . . . . . 0.468 ' HG3' ' HB2' ' A' ' 8' ' ' LYS . 7.7 mt-10 . . . . . 0 C--O 1.235 0.332 0 N-CA-C 109.4 -0.593 . . . . 85.0 109.4 178.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' RET . . . . . 0.637 H171 ' H8 ' ' A' ' 201' ' ' RET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . 0.408 ' O ' ' OD2' ' A' ' 48' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . 0.406 ' O ' ' NH1' ' A' ' 11' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 321' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 322' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 330' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 339' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 343' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_