data_6wxm_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 6wxm _Structure_validation_residue.Date_analyzed 2020-07-03 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 ' F' F ' 1' ' ' VAL . . . . . 0.436 ' C ' ' HB3' ' F' ' 2' ' ' ORN . 70.5 t . . . . . 0 C--O 1.238 0.492 0 N-CA-C 101.461 -3.533 . . . . 45.52 101.461 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 2' ' ' ORN . . . . . 0.436 ' HB3' ' C ' ' F' ' 1' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -130.53 151.83 50.58 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-N 115.251 -0.886 . . . . 87.64 113.162 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tp -78.02 136.04 37.87 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.394 0.616 . . . . 51.09 111.14 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 80.1 t -136.19 146.96 28.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 105.261 -2.126 . . . . 39.4 105.261 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 6' ' ' PHI . . . . . 0.514 ' I ' ' SD ' ' C' ' 22' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 7' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -121.93 124.76 44.83 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 105.703 -1.962 . . . . 39.99 105.703 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 8' ' ' CYS . . . . . . . . . . . . . 8.4 m -118.29 151.96 36.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.715 -1.13 . . . . 43.34 110.348 -168.667 -44.111 -94.361 99.542 101.423 2.021 102.746 -96.297 -44.397 1 1 . 1 . 001 ecloud orig full ' F' F ' 9' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -138.31 146.5 42.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.711 -1.218 . . . . 93.89 107.711 169.312 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.38 123.95 22.57 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.086 -0.961 . . . . 93.29 109.417 -174.93 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.16 13.72 5.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.717 -0.674 . . . . 65.36 111.404 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.57 163.61 37.79 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-O 122.405 1.003 . . . . 78.84 112.402 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 13' ' ' SER . . . . . 0.457 ' O ' ' OG ' ' F' ' 13' ' ' SER . 1.8 t 58.97 38.23 24.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.517 -0.841 . . . . 105.9 111.2 175.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 14' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 69.0 19.27 8.2 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.303 1.041 . . . . 107.21 112.869 171.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 15' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' H' ' 9' ' ' GLU . 17.9 mmtt -116.59 142.9 46.28 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.648 -0.501 . . . . 72.74 109.648 -178.136 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 16' ' ' GLY . . . . . . . . . . . . . . . -117.5 128.48 7.84 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.964 -0.854 . . . . 48.74 110.964 173.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.68 119.78 29.48 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.398 -0.964 . . . . 45.67 108.398 173.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 m -120.19 135.2 55.06 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.203 0.601 . . . . 43.56 111.613 -176.466 -44.397 -96.297 99.542 102.746 2.021 101.423 -94.361 -44.111 1 1 . 1 . 001 ecloud orig full ' F' F ' 19' ' ' ILE . . . . . . . . . . . . . 47.2 pt -118.98 147.75 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 N-CA-C 109.852 -0.425 . . . . 60.22 109.852 172.058 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -129.35 163.89 24.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.496 -0.927 . . . . 38.7 108.496 168.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 22' ' ' MET . . . . . 0.537 ' SD ' ' I ' ' C' ' 6' ' ' PHI . 96.5 mmm . . . . . 0 C--O 1.238 0.456 0 CA-C-O 121.973 0.892 . . . . 41.38 108.654 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 1' ' ' VAL . . . . . 0.419 ' C ' ' HB3' ' H' ' 2' ' ' ORN . 61.9 t . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 107.676 -1.231 . . . . 63.43 107.676 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 2' ' ' ORN . . . . . 0.419 ' HB3' ' C ' ' H' ' 1' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 3' ' ' LYS . . . . . 0.507 ' HD3' ' H ' ' H' ' 3' ' ' LYS . 0.0 OUTLIER -94.94 171.92 8.47 Favored 'General case' 0 C--N 1.381 1.97 0 N-CA-C 114.184 1.179 . . . . 97.51 114.184 179.779 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' H' H ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tp -92.69 130.19 38.39 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.36 -0.837 . . . . 69.69 108.946 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 22.8 t -132.4 131.48 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 N-CA-C 108.355 -0.98 . . . . 49.88 108.355 -175.871 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 7' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -115.3 111.27 20.64 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 113.428 -1.714 . . . . 48.5 108.999 173.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 8' ' ' CYS . . . . . . . . . . . . . 35.4 m -110.57 152.11 26.82 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.942 1.297 . . . . 50.38 111.914 -173.371 -51.455 -77.682 98.235 97.022 2.053 99.458 -126.777 -31.681 1 1 . 1 . 001 ecloud orig full ' H' H ' 9' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' F' ' 15' ' ' LYS . 50.3 mm-40 -107.33 164.16 12.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.955 0.902 . . . . 78.96 112.016 -178.882 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 10' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' H' ' 10' ' ' ASP . 5.8 p-10 -157.65 61.34 0.48 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.635 -1.166 . . . . 130.93 109.231 172.076 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' H' H ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.92 89.45 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.988 -0.375 . . . . 167.87 109.988 -171.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.1 36.26 56.19 Favored Glycine 0 N--CA 1.462 0.379 0 C-N-CA 120.924 -0.655 . . . . 195.36 114.103 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 4.2 t 60.26 9.35 1.89 Allowed 'General case' 0 C--O 1.239 0.507 0 C-N-CA 124.684 1.194 . . . . 196.54 112.702 -174.565 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 14' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -50.98 -48.67 61.17 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.282 0.563 . . . . 174.63 110.061 169.232 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -144.68 154.32 42.64 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.543 -0.91 . . . . 143.41 108.543 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.39 24.65 3.92 Favored Glycine 0 C--N 1.334 0.423 0 N-CA-C 108.943 -1.663 . . . . 102.52 108.943 165.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.19 173.3 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.297 1.046 . . . . 73.47 111.633 -173.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -143.36 166.53 24.51 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 122.206 1.003 . . . . 54.12 110.861 -177.019 -31.681 -126.777 98.235 99.458 2.053 97.022 -77.682 -51.455 1 1 . 1 . 001 ecloud orig full ' H' H ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 pt -141.12 147.65 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.803 -1.09 . . . . 71.86 108.57 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -138.65 144.39 39.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.883 -0.784 . . . . 61.44 108.883 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' H' H ' 22' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 122.191 0.996 . . . . 88.18 111.707 179.995 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 CA--C 1.504 -0.801 0 N-CA-C 111.585 0.217 . . . . 50.8 111.585 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -129.14 149.21 51.04 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 116.021 1.86 . . . . 87.61 116.021 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.41 133.37 51.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.093 -1.412 . . . . 49.17 110.664 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 90.8 t -143.47 139.76 26.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 105.181 -2.155 . . . . 45.5 105.181 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' PHI . . . . . 0.528 ' I ' HD11 ' C' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -116.17 129.35 56.27 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.264 -1.013 . . . . 42.22 108.264 172.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' CYS . . . . . . . . . . . . . 85.8 m -115.21 150.89 35.4 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.79 -1.095 . . . . 58.51 112.232 -165.742 -59.598 -79.416 105.279 103.382 2.026 102.743 -109.767 -45.079 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -137.41 128.44 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.634 -1.166 . . . . 94.85 108.798 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -71.13 131.54 43.72 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.239 -0.984 . . . . 112.33 110.231 -174.807 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.7 m -110.8 17.68 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.488 -0.778 . . . . 122.48 110.701 175.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.15 178.37 31.48 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-O 122.625 1.125 . . . . 138.24 111.695 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' SER . . . . . 0.439 ' O ' ' OG ' ' B' ' 13' ' ' SER . 5.4 t 58.5 36.99 25.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.537 -0.832 . . . . 171.0 111.366 175.512 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 59.16 57.89 3.3 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 122.079 0.942 . . . . 162.77 110.955 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -170.54 142.99 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 118.768 -1.173 . . . . 128.03 109.82 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.44 150.05 19.13 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.394 -1.082 . . . . 71.27 110.394 170.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.37 131.81 48.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.793 -0.818 . . . . 67.23 108.793 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 m -126.08 132.21 51.97 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 123.425 0.453 . . . . 39.51 110.521 -170.122 -45.079 -109.767 105.279 102.743 2.026 103.382 -79.416 -59.598 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . . . . . . . . . 15.5 pt -110.93 155.4 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.854 -0.612 . . . . 37.66 109.87 178.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 mp -117.43 147.93 42.25 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.141 -0.689 . . . . 42.32 109.141 170.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 104.055 -2.572 . . . . 50.65 104.055 176.293 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 1' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 120.521 0.2 . . . . 49.0 110.571 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -141.11 155.91 46.05 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 122.751 1.262 . . . . 71.28 112.096 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tp -84.25 135.01 34.51 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 112.517 -2.129 . . . . 66.86 108.785 -169.841 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.05 148.21 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 116.149 -0.478 . . . . 51.67 110.876 -172.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 7' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -122.11 120.85 35.47 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 113.676 -1.602 . . . . 81.2 111.833 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 8' ' ' CYS . . . . . . . . . . . . . 57.9 m -124.43 139.3 54.03 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.778 -0.577 . . . . 49.94 112.035 -169.99 -54.569 -92.584 109.487 106.062 2.032 103.924 -91.671 -59.947 1 1 . 1 . 001 ecloud orig full ' I' I ' 9' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -151.13 149.29 29.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.052 -1.833 . . . . 85.28 106.052 -177.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 10' ' ' ASP . . . . . 0.491 ' HA ' ' HA2' ' I' ' 16' ' ' GLY . 3.0 m-20 -90.99 140.2 30.06 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.323 -0.992 . . . . 144.33 108.323 172.088 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 m -139.82 175.95 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.66 0.743 . . . . 154.38 109.332 -167.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.3 -145.94 49.97 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 108.371 -1.892 . . . . 172.44 108.371 -171.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 32.6 t -96.57 -36.81 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.953 -0.699 . . . . 183.29 112.521 171.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -141.07 80.46 1.74 Allowed 'General case' 0 C--O 1.205 -1.288 0 C-N-CA 126.925 2.09 . . . . 183.0 107.679 -169.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? 179.36 154.78 0.48 Allowed 'General case' 0 N--CA 1.493 1.679 1 C-N-CA 110.247 -4.581 . . . . 169.88 110.72 -167.878 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 16' ' ' GLY . . . . . 0.491 ' HA2' ' HA ' ' I' ' 10' ' ' ASP . . . -148.23 155.35 26.38 Favored Glycine 0 C--O 1.245 0.795 0 CA-C-N 118.695 0.68 . . . . 114.34 112.524 177.672 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' I' I ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.02 153.84 30.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.664 -0.768 . . . . 76.35 111.628 -176.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 18' ' ' CYS . . . . . . . . . . . . . 83.4 m -124.9 140.03 53.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.827 -1.079 . . . . 47.17 108.273 -178.702 -59.947 -91.671 109.487 103.924 2.032 106.062 -92.584 -54.569 1 1 . 1 . 001 ecloud orig full ' I' I ' 19' ' ' ILE . . . . . . . . . . . . . 1.4 pp -112.42 138.1 42.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 117.183 -1.807 . . . . 66.04 109.397 166.75 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -133.87 135.52 43.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.342 -1.355 . . . . 53.63 107.342 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' I' I ' 22' ' ' MET . . . . . . . . . . . . . 61.4 tpp . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 108.225 -1.028 . . . . 60.58 108.225 172.113 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.236 0.364 0 N-CA-C 103.483 -2.784 . . . . 56.36 103.483 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -151.12 151.77 32.43 Favored 'General case' 0 C--N 1.379 1.871 0 N-CA-C 113.458 0.91 . . . . 96.57 113.458 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.53 122.32 22.91 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.779 0.323 . . . . 62.83 110.235 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -129.75 140.27 49.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 115.662 -0.699 . . . . 54.78 109.454 -177.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' PHE . . . . . 0.45 ' O ' ' HB3' ' E' ' 18' ' ' CYS . 20.1 m-85 -121.28 126.98 50.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.149 -0.932 . . . . 49.24 108.89 174.868 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 m -129.17 154.96 46.24 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.294 0.569 . . . . 56.41 112.236 -179.613 -40.062 -92.593 104.416 91.269 2.132 96.572 -126.085 -32.552 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -96.95 136.24 37.79 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.415 -0.811 . . . . 88.68 110.532 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' E' ' 10' ' ' ASP . 6.7 p-10 -128.13 42.71 3.27 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.079 1.352 . . . . 131.26 109.217 161.836 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 m -56.34 -52.19 54.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 116.147 -0.479 . . . . 169.87 110.907 -169.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.3 113.0 1.02 Allowed Glycine 0 C--N 1.333 0.395 0 O-C-N 121.81 -0.556 . . . . 189.54 112.71 -175.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 23.3 m 62.17 10.06 3.54 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 124.837 1.255 . . . . 195.62 112.795 -174.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -131.28 98.17 4.47 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 105.882 -1.896 . . . . 182.65 105.882 171.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -57.36 173.79 0.24 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 122.416 1.103 . . . . 178.75 110.764 -168.946 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.28 109.39 3.64 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 117.058 1.583 . . . . 139.38 117.058 -168.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.86 159.16 15.1 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.902 -1.147 . . . . 87.36 107.902 163.495 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' CYS . . . . . 0.45 ' HB3' ' O ' ' E' ' 7' ' ' PHE . 2.0 m -140.01 162.39 35.33 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 117.497 -1.681 . . . . 53.71 111.97 177.26 -32.552 -126.085 104.416 96.572 2.132 91.269 -92.593 -40.062 2 2 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' ILE . . . . . . . . . . . . . 10.8 pt -140.82 154.03 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 114.282 -1.326 . . . . 65.53 111.044 172.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -137.91 149.67 46.42 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.534 -1.284 . . . . 64.9 107.534 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' MET . . . . . . . . . . . . . 70.8 mmm . . . . . 0 CA--C 1.542 0.636 0 CA-C-O 121.111 0.481 . . . . 61.83 110.729 171.84 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.237 0.396 0 N-CA-C 108.953 -0.758 . . . . 52.28 108.953 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -148.51 166.83 27.01 Favored 'General case' 0 C--N 1.371 1.503 0 CA-C-N 115.73 -0.668 . . . . 96.29 109.744 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.65 130.76 36.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.06 -0.973 . . . . 68.95 108.726 177.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -129.12 146.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.659 -1.237 . . . . 46.38 107.659 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -114.44 112.4 22.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.986 -0.746 . . . . 38.21 108.986 173.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.1 m -111.36 140.77 45.67 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.981 -0.554 . . . . 58.04 110.852 -172.096 -57.299 -77.746 102.962 104.705 2.044 102.612 -113.979 -43.007 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -83.49 141.94 31.29 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.823 -0.626 . . . . 69.12 111.561 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -95.34 -33.05 12.67 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 112.915 0.709 . . . . 124.16 112.915 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.67 161.16 12.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 108.737 -0.838 . . . . 120.17 108.737 -176.322 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.03 -143.58 16.69 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.244 -0.889 . . . . 119.46 114.477 169.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -58.51 -58.59 7.87 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.821 -0.69 . . . . 134.75 111.78 -170.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -108.3 32.93 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.975 0.51 . . . . 112.81 112.019 -169.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -60.46 144.32 51.42 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.627 -0.829 . . . . 102.46 109.743 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.14 -4.63 61.77 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-O 119.235 -0.758 . . . . 105.86 114.531 -175.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.01 147.86 26.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.242 1.021 . . . . 60.99 109.198 175.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 m -131.59 154.93 48.36 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.74 0.781 . . . . 43.61 110.807 -174.669 -43.007 -113.979 102.962 102.612 2.044 104.705 -77.746 -57.299 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.5 pt -127.91 151.32 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 114.865 -1.061 . . . . 53.84 109.523 168.377 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.3 mt -134.16 159.93 39.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.734 . . . . 64.42 110.729 171.272 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.834 0 CA-C-N 115.459 -0.791 . . . . 81.84 109.166 -177.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' VAL . . . . . 0.755 ' O ' ' HB3' ' C' ' 2' ' ' ORN . 49.0 t . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 103.904 -2.628 . . . . 48.65 103.904 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ORN . . . . . 0.755 ' HB3' ' O ' ' C' ' 1' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -124.3 147.6 48.02 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.098 1.147 . . . . 90.74 114.098 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.97 139.24 58.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.766 -0.773 . . . . 42.07 110.315 171.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -136.5 144.9 31.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 105.115 -2.18 . . . . 39.81 105.115 173.763 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' PHI . . . . . 0.537 ' I ' ' SD ' ' F' ' 22' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -116.87 125.78 52.03 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 107.357 -1.349 . . . . 44.43 107.357 174.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' CYS . . . . . . . . . . . . . 56.3 m -118.71 137.06 53.6 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 122.78 0.432 . . . . 42.23 110.926 -164.821 -53.867 -93.095 109.286 102.362 2.028 105.381 -88.452 -58.793 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.09 144.71 43.77 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.024 0.93 . . . . 73.64 110.108 173.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -69.92 136.68 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 118.908 -1.117 . . . . 86.18 108.768 171.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 10.7 m -124.05 8.01 4.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.317 -0.401 . . . . 61.66 111.461 176.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.24 175.8 26.38 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-O 122.556 1.087 . . . . 66.13 111.682 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m 50.68 29.21 4.01 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.151 -1.024 . . . . 70.85 111.01 178.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 54.26 48.81 19.97 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.223 1.011 . . . . 92.5 110.963 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -128.66 134.82 48.64 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 114.97 -1.014 . . . . 70.97 108.882 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.36 128.08 9.26 Favored Glycine 0 C--N 1.333 0.364 0 N-CA-C 110.112 -1.195 . . . . 42.51 110.112 171.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.33 123.95 33.43 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.395 -1.335 . . . . 37.19 107.395 173.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' CYS . . . . . . . . . . . . . 75.1 m -120.27 130.31 54.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 123.604 0.565 . . . . 36.09 110.343 -169.689 -58.793 -88.452 109.286 105.381 2.028 102.362 -93.095 -53.867 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ILE . . . . . 0.528 HD11 ' I ' ' B' ' 6' ' ' PHI . 2.4 mm -116.66 139.11 44.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 C-N-CA 125.065 1.346 . . . . 59.11 107.593 -177.676 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.0 155.35 47.14 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 107.212 -1.403 . . . . 42.5 107.212 171.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' MET . . . . . 0.514 ' SD ' ' I ' ' F' ' 6' ' ' PHI . 37.9 mmm . . . . . 0 C--N 1.314 -0.956 0 CA-C-O 122.183 0.992 . . . . 44.03 111.619 175.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.237 0.434 0 N-CA-C 101.05 -3.685 . . . . 56.1 101.05 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -159.51 149.93 19.14 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 113.331 0.863 . . . . 97.57 113.331 -175.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' LEU . . . . . 0.431 ' HB2' ' CE ' ' D' ' 22' ' ' MET . 17.9 tp -81.34 119.51 23.76 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.114 0.483 . . . . 73.88 111.584 -176.574 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.3 139.98 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 106.04 -1.837 . . . . 51.38 106.04 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' D' ' 18' ' ' CYS . 6.2 m-85 -116.85 126.73 53.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.318 -1.364 . . . . 44.97 107.318 173.939 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' CYS . . . . . . . . . . . . . 68.2 m -125.81 151.99 46.05 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.173 0.511 . . . . 52.7 110.046 -172.945 -58.123 -79.833 103.072 103.492 2.025 103.896 -110.854 -46.353 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.86 -160.15 1.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.446 -1.316 . . . . 120.04 107.446 166.931 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -127.6 109.36 11.62 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.233 -1.025 . . . . 161.89 108.233 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' VAL . . . . . 0.426 HG23 ' O ' ' D' ' 15' ' ' LYS . 3.1 t -88.66 162.54 2.57 Favored 'Isoleucine or valine' 0 C--N 1.372 1.558 0 O-C-N 126.502 2.377 . . . . 175.98 110.838 -163.373 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.8 -133.85 52.61 Favored Glycine 0 N--CA 1.467 0.708 0 C-N-CA 117.631 -2.224 . . . . 275.3 109.907 168.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.11 -30.84 12.79 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 117.997 -1.481 . . . . 203.66 112.87 172.352 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -173.58 104.48 0.12 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 117.531 2.419 . . . . 205.16 117.531 151.248 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LYS . . . . . 0.426 ' O ' HG23 ' D' ' 11' ' ' VAL . 4.0 tttt -156.57 141.87 17.43 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.092 1.757 . . . . 168.04 107.49 166.872 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.18 115.45 5.29 Favored Glycine 0 N--CA 1.452 -0.29 0 O-C-N 123.106 0.254 . . . . 114.54 113.625 -173.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.13 152.47 32.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.538 0.685 . . . . 69.26 109.651 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' D' ' 7' ' ' PHE . 14.0 m -132.46 163.25 29.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.233 -1.025 . . . . 43.61 108.233 -176.008 -46.353 -110.854 103.072 103.896 2.025 103.492 -79.833 -58.123 2 2 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ILE . . . . . . . . . . . . . 46.8 pt -140.53 154.66 22.36 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 CA-C-N 115.436 -0.802 . . . . 56.8 109.758 168.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 39.9 mt -136.29 156.11 49.12 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.947 0.794 . . . . 53.28 108.858 170.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' MET . . . . . 0.431 ' CE ' ' HB2' ' D' ' 4' ' ' LEU . 11.8 mmt . . . . . 0 N--CA 1.443 -0.803 0 CA-C-N 115.752 -0.658 . . . . 72.56 111.478 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 1' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.474 -1.306 . . . . 136.86 107.474 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 3' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -107.13 164.71 11.93 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 115.607 -0.724 . . . . 142.99 112.135 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 4' ' ' LEU . . . . . 0.448 ' HA ' ' O ' ' J' ' 21' ' ' LEU . 1.3 pt? -85.26 150.76 24.56 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 122.288 1.042 . . . . 114.25 111.416 -172.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.69 141.18 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.048 -1.433 . . . . 71.98 108.889 -177.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 7' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' J' ' 18' ' ' CYS . 36.8 t80 -111.37 130.02 55.82 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.413 -0.515 . . . . 58.34 109.946 169.948 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 8' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.57 138.11 52.78 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.544 -0.91 . . . . 33.6 108.544 -166.906 -62.991 -78.995 107.164 104.865 2.035 105.059 -106.495 -51.538 1 1 . 1 . 001 ecloud orig full ' J' J ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -155.56 171.41 19.99 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.128 -1.804 . . . . 56.44 106.128 -166.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.31 124.15 46.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.451 -0.5 . . . . 97.21 110.27 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 11' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.47 -49.53 43.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 115.091 -0.959 . . . . 169.41 110.886 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.79 142.96 6.29 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 107.405 -2.278 . . . . 181.03 107.405 -159.164 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 3.3 m 71.49 10.22 6.5 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.081 0.952 . . . . 211.32 111.464 -165.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t30 73.16 29.74 1.69 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.283 1.033 . . . . 191.59 112.348 175.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -112.43 145.27 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.203 -1.036 . . . . 153.4 108.203 167.259 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.87 165.03 12.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.527 -0.844 . . . . 91.73 114.094 -174.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.26 152.22 22.01 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.444 0.64 . . . . 66.69 109.748 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 18' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' J' ' 7' ' ' PHE . 35.7 m -121.01 151.14 40.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.786 -1.097 . . . . 46.3 109.069 177.549 -51.538 -106.495 107.164 105.059 2.035 104.865 -78.995 -62.991 2 2 . 1 . 001 ecloud orig full ' J' J ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 pt -119.59 138.08 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 106.632 -1.618 . . . . 67.84 106.632 172.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 21' ' ' LEU . . . . . 0.448 ' O ' ' HA ' ' J' ' 4' ' ' LEU . 8.8 mt -146.97 112.67 5.67 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.574 0.546 . . . . 87.73 110.172 178.032 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 22' ' ' MET . . . . . . . . . . . . . 24.0 tpp . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 107.402 -1.333 . . . . 131.69 107.402 175.817 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 1' ' ' VAL . . . . . 0.414 ' C ' ' HB3' ' G' ' 2' ' ' ORN . 60.3 t . . . . . 0 CA--C 1.516 -0.353 0 N-CA-C 113.244 0.831 . . . . 61.96 113.244 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 2' ' ' ORN . . . . . 0.414 ' HB3' ' C ' ' G' ' 1' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -138.12 155.99 48.2 Favored 'General case' 0 C--N 1.375 1.711 0 CA-C-O 121.978 0.894 . . . . 91.2 112.272 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 4' ' ' LEU . . . . . . . . . . . . . 29.2 tp -66.37 128.32 35.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 113.556 -1.656 . . . . 46.98 111.348 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -135.31 138.19 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 N-CA-C 108.209 -1.034 . . . . 45.78 108.209 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -118.2 127.37 53.68 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 108.466 -0.938 . . . . 41.56 108.466 174.465 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 8' ' ' CYS . . . . . . . . . . . . . 50.9 m -111.01 153.57 25.39 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.546 1.138 . . . . 48.66 110.354 -168.163 -53.202 -80.437 101.244 102.245 2.031 104.347 -108.788 -43.97 1 1 . 1 . 001 ecloud orig full ' G' G ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -138.32 158.58 44.01 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.661 -0.866 . . . . 86.09 108.661 170.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -54.82 141.66 32.08 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 114.743 -1.117 . . . . 80.38 110.716 175.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 11' ' ' VAL . . . . . . . . . . . . . 1.9 m -128.5 -2.05 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 112.59 0.589 . . . . 70.25 112.59 169.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.5 148.88 17.72 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 110.981 -0.848 . . . . 95.58 110.981 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m 67.13 27.63 8.49 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.941 0.348 . . . . 95.17 111.941 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 m120 57.6 32.92 22.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 124.28 111.239 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 15' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -110.55 153.04 25.67 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.272 0.558 . . . . 100.02 110.369 177.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.52 136.84 10.96 Favored Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 114.902 -1.045 . . . . 62.6 111.296 -176.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.57 128.94 55.57 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.966 -1.494 . . . . 48.84 106.966 171.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 m -127.73 127.61 43.94 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 110.119 -0.326 . . . . 37.5 110.119 -167.842 -43.97 -108.788 101.244 104.347 2.031 102.245 -80.437 -53.202 1 1 . 1 . 001 ecloud orig full ' G' G ' 19' ' ' ILE . . . . . . . . . . . . . 41.8 pt -102.38 159.03 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.728 -0.669 . . . . 39.43 110.708 176.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 21' ' ' LEU . . . . . . . . . . . . . 10.9 mp -114.22 142.85 45.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 112.425 -2.17 . . . . 51.24 109.94 174.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 22' ' ' MET . . . . . . . . . . . . . 46.2 tpp . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 105.218 -2.141 . . . . 49.27 105.218 175.729 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 1' ' ' VAL . . . . . . . . . . . . . 77.6 t . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.887 0.375 . . . . 174.04 110.594 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 3' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -156.09 -171.34 3.69 Favored 'General case' 0 C--N 1.375 1.702 0 N-CA-C 114.439 1.274 . . . . 130.72 114.439 -176.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 4' ' ' LEU . . . . . . . . . . . . . 44.9 tp -110.09 89.11 2.92 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.672 1.189 . . . . 119.2 111.052 -166.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -80.96 136.18 23.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 N-CA-C 115.269 1.581 . . . . 109.16 115.269 -174.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -120.51 115.56 23.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.888 -1.051 . . . . 121.14 108.609 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 8' ' ' CYS . . . . . . . . . . . . . 66.2 m -117.93 148.25 42.36 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.075 0.464 . . . . 82.24 111.553 -168.099 -57.782 -93.526 106.148 103.732 2.029 102.795 -100.856 -54.275 1 1 . 1 . 001 ecloud orig full ' K' K ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -169.38 154.35 5.71 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.629 -0.714 . . . . 132.51 110.989 173.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 10' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' K' ' 11' ' ' VAL . 16.2 t0 -83.32 146.04 28.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.768 -1.105 . . . . 151.32 109.809 171.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 11' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' K' ' 10' ' ' ASP . 3.8 m -129.62 -0.57 2.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 112.998 0.74 . . . . 165.73 112.998 175.942 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.39 -177.24 47.92 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 119.753 -1.213 . . . . 203.32 111.166 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -56.99 -43.8 82.09 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 113.017 -1.591 . . . . 231.99 111.918 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -46.77 -59.37 3.1 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.93 1.292 . . . . 179.48 111.1 -173.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.77 169.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.577 -1.268 . . . . 172.13 107.577 178.956 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' K' K ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.13 147.5 17.33 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.035 -1.626 . . . . 148.84 109.035 171.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 17' ' ' ALA . . . . . . . . . . . . . . . -142.18 166.12 25.57 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 122.164 0.983 . . . . 104.07 110.507 -173.107 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 18' ' ' CYS . . . . . . . . . . . . . 57.3 m -119.06 162.35 18.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.134 -1.393 . . . . 75.57 109.922 -176.039 -54.275 -100.856 106.148 102.795 2.029 103.732 -93.526 -57.782 1 1 . 1 . 001 ecloud orig full ' K' K ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 pt -137.25 141.86 38.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 104.883 -2.265 . . . . 100.47 104.883 178.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.22 129.23 20.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 113.63 -1.623 . . . . 110.85 109.007 -175.958 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' K' K ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mmm . . . . . 0 N--CA 1.464 0.272 0 N-CA-C 108.591 -0.892 . . . . 159.77 108.591 171.483 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 101' ' ' HEZ . . . . . 0.456 ' H52' ' HA3' ' I' ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' H' H ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' I' I ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' K' K ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 C--O 1.238 0.492 0 N-CA-C 101.461 -3.533 . . . . 37.89 101.461 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -130.53 151.83 50.58 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-N 115.251 -0.886 . . . . 72.99 113.162 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tp -78.02 136.04 37.87 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.394 0.616 . . . . 42.54 111.14 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 80.1 t -136.19 146.96 28.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 105.261 -2.126 . . . . 32.8 105.261 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 6' ' ' PHI . . . . . 0.514 ' I ' ' SD ' ' C' ' 22' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 7' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -121.93 124.76 44.83 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 105.703 -1.962 . . . . 33.29 105.703 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 8' ' ' CYS . . . . . . . . . . . . . 8.4 m -118.29 151.96 36.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.715 -1.13 . . . . 42.09 110.348 -168.667 -44.111 -94.361 99.542 101.423 2.021 102.746 -96.297 -44.397 1 1 . 1 . 001 ecloud build full ' F' F ' 9' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -138.31 146.5 42.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.711 -1.218 . . . . 91.79 107.711 169.312 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.38 123.95 22.57 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.086 -0.961 . . . . 92.77 109.417 -174.93 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.16 13.72 5.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.717 -0.674 . . . . 65.36 111.404 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.57 163.61 37.79 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-O 122.405 1.003 . . . . 65.66 112.402 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 13' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' F' ' 13' ' ' SER . 1.8 t 58.97 38.23 24.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.517 -0.841 . . . . 88.22 111.2 175.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 14' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 69.0 19.27 8.2 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.303 1.041 . . . . 89.31 112.869 171.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 15' ' ' LYS . . . . . 0.54 ' NZ ' ' OE2' ' H' ' 9' ' ' GLU . 17.9 mmtt -116.59 142.9 46.28 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.648 -0.501 . . . . 60.58 109.648 -178.136 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 16' ' ' GLY . . . . . . . . . . . . . . . -117.5 128.48 7.84 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.964 -0.854 . . . . 40.58 110.964 173.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.68 119.78 29.48 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.398 -0.964 . . . . 38.02 108.398 173.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 m -120.19 135.2 55.06 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.203 0.601 . . . . 36.26 111.613 -176.466 -44.397 -96.297 99.542 102.746 2.021 101.423 -94.361 -44.111 1 1 . 1 . 001 ecloud build full ' F' F ' 19' ' ' ILE . . . . . 0.408 ' HA ' ' HN1' ' F' ' 20' ' ' SAR . 47.2 pt -118.98 147.75 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 N-CA-C 109.852 -0.425 . . . . 50.14 109.852 172.058 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 20' ' ' SAR . . . . . 0.465 ' HN3' ' HN3' ' C' ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -129.35 163.89 24.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.496 -0.927 . . . . 32.21 108.496 168.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 22' ' ' MET . . . . . 0.537 ' SD ' ' I ' ' C' ' 6' ' ' PHI . 96.5 mmm . . . . . 0 C--O 1.238 0.456 0 CA-C-O 121.973 0.892 . . . . 34.44 108.654 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 107.676 -1.231 . . . . 57.68 107.676 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 3' ' ' LYS . . . . . 0.524 ' HD3' ' H ' ' H' ' 3' ' ' LYS . 0.0 OUTLIER -94.94 171.92 8.47 Favored 'General case' 0 C--N 1.381 1.97 0 N-CA-C 114.184 1.179 . . . . 81.22 114.184 179.779 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' H' H ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tp -92.69 130.19 38.39 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.36 -0.837 . . . . 58.04 108.946 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 22.8 t -132.4 131.48 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 N-CA-C 108.355 -0.98 . . . . 41.53 108.355 -175.871 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 7' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -115.3 111.27 20.64 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 113.428 -1.714 . . . . 40.38 108.999 173.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 8' ' ' CYS . . . . . . . . . . . . . 35.4 m -110.57 152.11 26.82 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.942 1.297 . . . . 48.67 111.914 -173.371 -51.455 -77.682 98.235 97.022 2.053 99.458 -126.777 -31.681 1 1 . 1 . 001 ecloud build full ' H' H ' 9' ' ' GLU . . . . . 0.54 ' OE2' ' NZ ' ' F' ' 15' ' ' LYS . 50.3 mm-40 -107.33 164.16 12.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.955 0.902 . . . . 78.96 112.016 -178.882 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 10' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' H' ' 10' ' ' ASP . 5.8 p-10 -157.65 61.34 0.48 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.635 -1.166 . . . . 127.26 109.231 172.076 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' H' H ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.92 89.45 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.988 -0.375 . . . . 144.56 109.988 -171.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.1 36.26 56.19 Favored Glycine 0 N--CA 1.462 0.379 0 C-N-CA 120.924 -0.655 . . . . 172.6 114.103 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 4.2 t 60.26 9.35 1.89 Allowed 'General case' 0 C--O 1.239 0.507 0 C-N-CA 124.684 1.194 . . . . 163.74 112.702 -174.565 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 14' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -50.98 -48.67 61.17 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.282 0.563 . . . . 145.49 110.061 169.232 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -144.68 154.32 42.64 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.543 -0.91 . . . . 119.47 108.543 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.39 24.65 3.92 Favored Glycine 0 C--N 1.334 0.423 0 N-CA-C 108.943 -1.663 . . . . 85.39 108.943 165.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.19 173.3 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.297 1.046 . . . . 61.19 111.633 -173.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -143.36 166.53 24.51 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 122.206 1.003 . . . . 45.49 110.861 -177.019 -31.681 -126.777 98.235 99.458 2.053 97.022 -77.682 -51.455 1 1 . 1 . 001 ecloud build full ' H' H ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 pt -141.12 147.65 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.803 -1.09 . . . . 59.84 108.57 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -138.65 144.39 39.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.883 -0.784 . . . . 56.92 108.883 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' H' H ' 22' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 122.191 0.996 . . . . 73.45 111.707 179.995 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 CA--C 1.504 -0.801 0 N-CA-C 111.585 0.217 . . . . 48.1 111.585 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -129.14 149.21 51.04 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 116.021 1.86 . . . . 72.97 116.021 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.41 133.37 51.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.093 -1.412 . . . . 41.17 110.664 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 90.8 t -143.47 139.76 26.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 105.181 -2.155 . . . . 37.88 105.181 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' PHI . . . . . 0.435 ' I ' HD11 ' C' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -116.17 129.35 56.27 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.264 -1.013 . . . . 35.15 108.264 172.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' CYS . . . . . . . . . . . . . 85.8 m -115.21 150.89 35.4 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.79 -1.095 . . . . 58.51 112.232 -165.742 -59.598 -79.416 105.279 103.382 2.026 102.743 -109.767 -45.079 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -137.41 128.44 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.634 -1.166 . . . . 93.13 108.798 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -71.13 131.54 43.72 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.239 -0.984 . . . . 100.83 110.231 -174.807 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.7 m -110.8 17.68 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.488 -0.778 . . . . 122.48 110.701 175.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.15 178.37 31.48 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-O 122.625 1.125 . . . . 120.84 111.695 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.4 t 58.5 36.99 25.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.537 -0.832 . . . . 142.46 111.366 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 59.16 57.89 3.3 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 122.079 0.942 . . . . 135.6 110.955 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -170.54 142.99 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 118.768 -1.173 . . . . 106.66 109.82 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.44 150.05 19.13 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.394 -1.082 . . . . 59.36 110.394 170.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.37 131.81 48.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.793 -0.818 . . . . 55.99 108.793 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 m -126.08 132.21 51.97 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 123.425 0.453 . . . . 33.11 110.521 -170.122 -45.079 -109.767 105.279 102.743 2.026 103.382 -79.416 -59.598 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . 0.418 ' HA ' ' HN1' ' B' ' 20' ' ' SAR . 15.5 pt -110.93 155.4 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.854 -0.612 . . . . 31.34 109.87 178.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' SAR . . . . . 0.418 ' HN1' ' HA ' ' B' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 mp -117.43 147.93 42.25 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.141 -0.689 . . . . 35.23 109.141 170.451 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 104.055 -2.572 . . . . 42.17 104.055 176.293 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 1' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 120.521 0.2 . . . . 45.7 110.571 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -141.11 155.91 46.05 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 122.751 1.262 . . . . 59.37 112.096 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tp -84.25 135.01 34.51 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 112.517 -2.129 . . . . 55.68 108.785 -169.841 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.05 148.21 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 116.149 -0.478 . . . . 43.02 110.876 -172.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 7' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -122.11 120.85 35.47 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 113.676 -1.602 . . . . 67.63 111.833 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 8' ' ' CYS . . . . . . . . . . . . . 57.9 m -124.43 139.3 54.03 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.778 -0.577 . . . . 49.94 112.035 -169.99 -54.569 -92.584 109.487 106.062 2.032 103.924 -91.671 -59.947 1 1 . 1 . 001 ecloud build full ' I' I ' 9' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -151.13 149.29 29.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.052 -1.833 . . . . 85.28 106.052 -177.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 10' ' ' ASP . . . . . 0.497 ' HA ' ' HA2' ' I' ' 16' ' ' GLY . 3.0 m-20 -90.99 140.2 30.06 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.323 -0.992 . . . . 134.16 108.323 172.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 m -139.82 175.95 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.66 0.743 . . . . 132.9 109.332 -167.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.3 -145.94 49.97 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 108.371 -1.892 . . . . 159.51 108.371 -171.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 32.6 t -96.57 -36.81 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.953 -0.699 . . . . 152.7 112.521 171.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -141.07 80.46 1.74 Allowed 'General case' 0 C--O 1.205 -1.288 0 C-N-CA 126.925 2.09 . . . . 152.46 107.679 -169.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? 179.36 154.78 0.48 Allowed 'General case' 0 N--CA 1.493 1.679 1 C-N-CA 110.247 -4.581 . . . . 141.52 110.72 -167.878 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 16' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' I' ' 10' ' ' ASP . . . -148.23 155.35 26.38 Favored Glycine 0 C--O 1.245 0.795 0 CA-C-N 118.695 0.68 . . . . 95.25 112.524 177.672 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.02 153.84 30.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.664 -0.768 . . . . 63.59 111.628 -176.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 18' ' ' CYS . . . . . . . . . . . . . 83.4 m -124.9 140.03 53.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.827 -1.079 . . . . 39.27 108.273 -178.702 -59.947 -91.671 109.487 103.924 2.032 106.062 -92.584 -54.569 1 1 . 1 . 001 ecloud build full ' I' I ' 19' ' ' ILE . . . . . 0.453 ' HA ' ' HN1' ' I' ' 20' ' ' SAR . 1.4 pp -112.42 138.1 42.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 117.183 -1.807 . . . . 54.99 109.397 166.75 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' I' I ' 20' ' ' SAR . . . . . 0.453 ' HN1' ' HA ' ' I' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -133.87 135.52 43.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.342 -1.355 . . . . 44.65 107.342 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' I' I ' 22' ' ' MET . . . . . . . . . . . . . 61.4 tpp . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 108.225 -1.028 . . . . 50.45 108.225 172.113 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.236 0.364 0 N-CA-C 103.483 -2.784 . . . . 51.13 103.483 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -151.12 151.77 32.43 Favored 'General case' 0 C--N 1.379 1.871 0 N-CA-C 113.458 0.91 . . . . 80.44 113.458 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.53 122.32 22.91 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.779 0.323 . . . . 52.32 110.235 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -129.75 140.27 49.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 115.662 -0.699 . . . . 45.61 109.454 -177.923 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 7' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' E' ' 18' ' ' CYS . 20.1 m-85 -121.28 126.98 50.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.149 -0.932 . . . . 44.55 108.89 174.868 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 m -129.17 154.96 46.24 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.294 0.569 . . . . 56.41 112.236 -179.613 -40.062 -92.593 104.416 91.269 2.132 96.572 -126.085 -32.552 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -96.95 136.24 37.79 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.415 -0.811 . . . . 82.4 110.532 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' E' ' 10' ' ' ASP . 6.7 p-10 -128.13 42.71 3.27 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.079 1.352 . . . . 130.48 109.217 161.836 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 m -56.34 -52.19 54.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 116.147 -0.479 . . . . 152.6 110.907 -169.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.3 113.0 1.02 Allowed Glycine 0 C--N 1.333 0.395 0 O-C-N 121.81 -0.556 . . . . 161.82 112.71 -175.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 23.3 m 62.17 10.06 3.54 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 124.837 1.255 . . . . 168.0 112.795 -174.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -131.28 98.17 4.47 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 105.882 -1.896 . . . . 152.17 105.882 171.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -57.36 173.79 0.24 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 122.416 1.103 . . . . 148.92 110.764 -168.946 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.28 109.39 3.64 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 117.058 1.583 . . . . 116.11 117.058 -168.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' ALA . . . . . 0.736 ' HB1' ' HB1' ' K' ' 17' ' ' ALA . . . -97.86 159.16 15.1 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.902 -1.147 . . . . 72.76 107.902 163.495 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 18' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' E' ' 7' ' ' PHE . 2.0 m -140.01 162.39 35.33 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 117.497 -1.681 . . . . 44.72 111.97 177.26 -32.552 -126.085 104.416 96.572 2.132 91.269 -92.593 -40.062 2 2 . 1 . 001 ecloud build full ' E' E ' 19' ' ' ILE . . . . . . . . . . . . . 10.8 pt -140.82 154.03 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 114.282 -1.326 . . . . 54.57 111.044 172.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -137.91 149.67 46.42 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.534 -1.284 . . . . 54.04 107.534 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 22' ' ' MET . . . . . . . . . . . . . 70.8 mmm . . . . . 0 CA--C 1.542 0.636 0 CA-C-O 121.111 0.481 . . . . 58.18 110.729 171.84 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.237 0.396 0 N-CA-C 108.953 -0.758 . . . . 49.7 108.953 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -148.51 166.83 27.01 Favored 'General case' 0 C--N 1.371 1.503 0 CA-C-N 115.73 -0.668 . . . . 80.21 109.744 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.65 130.76 36.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.06 -0.973 . . . . 57.42 108.726 177.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -129.12 146.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.659 -1.237 . . . . 38.61 107.659 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -114.44 112.4 22.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.986 -0.746 . . . . 31.81 108.986 173.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.1 m -111.36 140.77 45.67 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.981 -0.554 . . . . 50.56 110.852 -172.096 -57.299 -77.746 102.962 104.705 2.044 102.612 -113.979 -43.007 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -83.49 141.94 31.29 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.823 -0.626 . . . . 69.12 111.561 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -95.34 -33.05 12.67 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 112.915 0.709 . . . . 113.45 112.915 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.67 161.16 12.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 108.737 -0.838 . . . . 100.1 108.737 -176.322 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.03 -143.58 16.69 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.244 -0.889 . . . . 99.51 114.477 169.559 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -58.51 -58.59 7.87 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.821 -0.69 . . . . 112.26 111.78 -170.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -108.3 32.93 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.975 0.51 . . . . 98.74 112.019 -169.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -60.46 144.32 51.42 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.627 -0.829 . . . . 85.35 109.743 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.14 -4.63 61.77 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-O 119.235 -0.758 . . . . 88.18 114.531 -175.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.01 147.86 26.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.242 1.021 . . . . 50.78 109.198 175.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 m -131.59 154.93 48.36 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.74 0.781 . . . . 36.3 110.807 -174.669 -43.007 -113.979 102.962 102.612 2.044 104.705 -77.746 -57.299 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' HA ' ' HN1' ' A' ' 20' ' ' SAR . 34.5 pt -127.91 151.32 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 114.865 -1.061 . . . . 44.83 109.523 168.377 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SAR . . . . . 0.408 ' HN1' ' HA ' ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.3 mt -134.16 159.93 39.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.734 . . . . 53.64 110.729 171.272 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.834 0 CA-C-N 115.459 -0.791 . . . . 68.16 109.166 -177.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 1' ' ' VAL . . . . . 0.645 ' O ' ' HB2' ' C' ' 2' ' ' ORN . 49.0 t . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 103.904 -2.628 . . . . 40.62 103.904 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ORN . . . . . 0.645 ' HB2' ' O ' ' C' ' 1' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -124.3 147.6 48.02 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.098 1.147 . . . . 75.57 114.098 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.97 139.24 58.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.766 -0.773 . . . . 35.02 110.315 171.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -136.5 144.9 31.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 105.115 -2.18 . . . . 33.13 105.115 173.763 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' PHI . . . . . 0.537 ' I ' ' SD ' ' F' ' 22' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -116.87 125.78 52.03 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 107.357 -1.349 . . . . 36.99 107.357 174.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' CYS . . . . . . . . . . . . . 56.3 m -118.71 137.06 53.6 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 122.78 0.432 . . . . 42.23 110.926 -164.821 -53.867 -93.095 109.286 102.362 2.028 105.381 -88.452 -58.793 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.09 144.71 43.77 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.024 0.93 . . . . 73.64 110.108 173.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -69.92 136.68 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 118.908 -1.117 . . . . 86.18 108.768 171.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 10.7 m -124.05 8.01 4.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.317 -0.401 . . . . 55.41 111.461 176.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.24 175.8 26.38 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-O 122.556 1.087 . . . . 55.07 111.682 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m 50.68 29.21 4.01 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.151 -1.024 . . . . 59.01 111.01 178.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 54.26 48.81 19.97 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.223 1.011 . . . . 77.04 110.963 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -128.66 134.82 48.64 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 114.97 -1.014 . . . . 59.1 108.882 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.36 128.08 9.26 Favored Glycine 0 C--N 1.333 0.364 0 N-CA-C 110.112 -1.195 . . . . 35.38 110.112 171.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.33 123.95 33.43 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.395 -1.335 . . . . 32.46 107.395 173.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' CYS . . . . . . . . . . . . . 75.1 m -120.27 130.31 54.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 123.604 0.565 . . . . 30.03 110.343 -169.689 -58.793 -88.452 109.286 105.381 2.028 102.362 -93.095 -53.867 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ILE . . . . . 0.435 HD11 ' I ' ' B' ' 6' ' ' PHI . 2.4 mm -116.66 139.11 44.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 C-N-CA 125.065 1.346 . . . . 49.22 107.593 -177.676 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 20' ' ' SAR . . . . . 0.465 ' HN3' ' HN3' ' F' ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.0 155.35 47.14 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 107.212 -1.403 . . . . 35.38 107.212 171.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' MET . . . . . 0.514 ' SD ' ' I ' ' F' ' 6' ' ' PHI . 37.9 mmm . . . . . 0 C--N 1.314 -0.956 0 CA-C-O 122.183 0.992 . . . . 36.65 111.619 175.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.237 0.434 0 N-CA-C 101.05 -3.685 . . . . 55.49 101.05 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -159.51 149.93 19.14 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 113.331 0.863 . . . . 81.27 113.331 -175.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' LEU . . . . . 0.471 HD13 ' HE2' ' D' ' 22' ' ' MET . 17.9 tp -81.34 119.51 23.76 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.114 0.483 . . . . 61.53 111.584 -176.574 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.3 139.98 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 106.04 -1.837 . . . . 42.78 106.04 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -116.85 126.73 53.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.318 -1.364 . . . . 37.44 107.318 173.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' CYS . . . . . . . . . . . . . 68.2 m -125.81 151.99 46.05 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.173 0.511 . . . . 52.7 110.046 -172.945 -58.123 -79.833 103.072 103.492 2.025 103.896 -110.854 -46.353 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.86 -160.15 1.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.446 -1.316 . . . . 120.04 107.446 166.931 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -127.6 109.36 11.62 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.233 -1.025 . . . . 144.48 108.233 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 15' ' ' LYS . 3.1 t -88.66 162.54 2.57 Favored 'Isoleucine or valine' 0 C--N 1.372 1.558 0 O-C-N 126.502 2.377 . . . . 162.94 110.838 -163.373 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.8 -133.85 52.61 Favored Glycine 0 N--CA 1.467 0.708 0 C-N-CA 117.631 -2.224 . . . . 243.54 109.907 168.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.11 -30.84 12.79 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 117.997 -1.481 . . . . 176.34 112.87 172.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -173.58 104.48 0.12 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 117.531 2.419 . . . . 170.93 117.531 151.248 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LYS . . . . . 0.411 ' O ' HG23 ' D' ' 11' ' ' VAL . 4.0 tttt -156.57 141.87 17.43 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.092 1.757 . . . . 140.0 107.49 166.872 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.18 115.45 5.29 Favored Glycine 0 N--CA 1.452 -0.29 0 O-C-N 123.106 0.254 . . . . 95.41 113.625 -173.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.13 152.47 32.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.538 0.685 . . . . 57.68 109.651 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 m -132.46 163.25 29.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.233 -1.025 . . . . 36.3 108.233 -176.008 -46.353 -110.854 103.072 103.896 2.025 103.492 -79.833 -58.123 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ILE . . . . . 0.41 ' HA ' ' HN1' ' D' ' 20' ' ' SAR . 46.8 pt -140.53 154.66 22.36 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 CA-C-N 115.436 -0.802 . . . . 47.3 109.758 168.817 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 20' ' ' SAR . . . . . 0.41 ' HN1' ' HA ' ' D' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 39.9 mt -136.29 156.11 49.12 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.947 0.794 . . . . 48.67 108.858 170.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' MET . . . . . 0.471 ' HE2' HD13 ' D' ' 4' ' ' LEU . 11.8 mmt . . . . . 0 N--CA 1.443 -0.803 0 CA-C-N 115.752 -0.658 . . . . 62.91 111.478 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 1' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.474 -1.306 . . . . 121.52 107.474 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 3' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -107.13 164.71 11.93 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 115.607 -0.724 . . . . 119.12 112.135 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 4' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' J' ' 21' ' ' LEU . 1.3 pt? -85.26 150.76 24.56 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 122.288 1.042 . . . . 95.17 111.416 -172.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.69 141.18 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.048 -1.433 . . . . 59.95 108.889 -177.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -111.37 130.02 55.82 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.413 -0.515 . . . . 48.58 109.946 169.948 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 8' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.57 138.11 52.78 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.544 -0.91 . . . . 33.6 108.544 -166.906 -62.991 -78.995 107.164 104.865 2.035 105.059 -106.495 -51.538 1 1 . 1 . 001 ecloud build full ' J' J ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -155.56 171.41 19.99 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.128 -1.804 . . . . 55.53 106.128 -166.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.31 124.15 46.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.451 -0.5 . . . . 95.31 110.27 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 11' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.47 -49.53 43.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 115.091 -0.959 . . . . 141.13 110.886 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.79 142.96 6.29 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 107.405 -2.278 . . . . 157.3 107.405 -159.164 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 3.3 m 71.49 10.22 6.5 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.081 0.952 . . . . 176.06 111.464 -165.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t30 73.16 29.74 1.69 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.283 1.033 . . . . 159.62 112.348 175.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -112.43 145.27 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.203 -1.036 . . . . 127.8 108.203 167.259 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.87 165.03 12.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.527 -0.844 . . . . 76.4 114.094 -174.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.26 152.22 22.01 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.444 0.64 . . . . 55.54 109.748 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -121.01 151.14 40.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.786 -1.097 . . . . 38.55 109.069 177.549 -51.538 -106.495 107.164 105.059 2.035 104.865 -78.995 -62.991 1 1 . 1 . 001 ecloud build full ' J' J ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 pt -119.59 138.08 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 106.632 -1.618 . . . . 56.49 106.632 172.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 21' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' J' ' 4' ' ' LEU . 8.8 mt -146.97 112.67 5.67 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.574 0.546 . . . . 87.59 110.172 178.032 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 22' ' ' MET . . . . . . . . . . . . . 24.0 tpp . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 107.402 -1.333 . . . . 118.44 107.402 175.817 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 CA--C 1.516 -0.353 0 N-CA-C 113.244 0.831 . . . . 53.95 113.244 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -138.12 155.99 48.2 Favored 'General case' 0 C--N 1.375 1.711 0 CA-C-O 121.978 0.894 . . . . 75.97 112.272 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 4' ' ' LEU . . . . . . . . . . . . . 29.2 tp -66.37 128.32 35.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 113.556 -1.656 . . . . 40.61 111.348 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -135.31 138.19 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 N-CA-C 108.209 -1.034 . . . . 38.11 108.209 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -118.2 127.37 53.68 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 108.466 -0.938 . . . . 34.59 108.466 174.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 8' ' ' CYS . . . . . . . . . . . . . 50.9 m -111.01 153.57 25.39 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.546 1.138 . . . . 48.66 110.354 -168.163 -53.202 -80.437 101.244 102.245 2.031 104.347 -108.788 -43.97 1 1 . 1 . 001 ecloud build full ' G' G ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -138.32 158.58 44.01 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.661 -0.866 . . . . 86.09 108.661 170.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -54.82 141.66 32.08 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 114.743 -1.117 . . . . 73.89 110.716 175.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 11' ' ' VAL . . . . . 0.454 HG22 ' O ' ' G' ' 15' ' ' LYS . 1.9 m -128.5 -2.05 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 112.59 0.589 . . . . 60.22 112.59 169.39 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.5 148.88 17.72 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 110.981 -0.848 . . . . 82.37 110.981 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m 67.13 27.63 8.49 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.941 0.348 . . . . 79.27 111.941 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 m120 57.6 32.92 22.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 105.92 111.239 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 15' ' ' LYS . . . . . 0.454 ' O ' HG22 ' G' ' 11' ' ' VAL . 8.2 mmmt -110.55 153.04 25.67 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.272 0.558 . . . . 83.31 110.369 177.642 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.52 136.84 10.96 Favored Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 114.902 -1.045 . . . . 52.13 111.296 -176.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.57 128.94 55.57 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.966 -1.494 . . . . 40.67 106.966 171.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 m -127.73 127.61 43.94 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 110.119 -0.326 . . . . 31.99 110.119 -167.842 -43.97 -108.788 101.244 104.347 2.031 102.245 -80.437 -53.202 1 1 . 1 . 001 ecloud build full ' G' G ' 19' ' ' ILE . . . . . 0.419 ' HA ' ' HN1' ' G' ' 20' ' ' SAR . 41.8 pt -102.38 159.03 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.728 -0.669 . . . . 34.41 110.708 176.287 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 20' ' ' SAR . . . . . 0.419 ' HN1' ' HA ' ' G' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 21' ' ' LEU . . . . . 0.419 HD21 ' H62' ' C' ' 101' ' ' HEZ . 10.9 mp -114.22 142.85 45.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 112.425 -2.17 . . . . 42.66 109.94 174.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 22' ' ' MET . . . . . . . . . . . . . 46.2 tpp . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 105.218 -2.141 . . . . 43.15 105.218 175.729 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 1' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' K' ' 3' ' ' LYS . 77.6 t . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.887 0.375 . . . . 148.16 110.594 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 3' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' K' ' 1' ' ' VAL . 3.7 pttm -156.09 -171.34 3.69 Favored 'General case' 0 C--N 1.375 1.702 0 N-CA-C 114.439 1.274 . . . . 109.13 114.439 -176.768 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 4' ' ' LEU . . . . . . . . . . . . . 44.9 tp -110.09 89.11 2.92 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.672 1.189 . . . . 99.29 111.052 -166.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -80.96 136.18 23.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 N-CA-C 115.269 1.581 . . . . 90.92 115.269 -174.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -120.51 115.56 23.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.888 -1.051 . . . . 100.91 108.609 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 8' ' ' CYS . . . . . . . . . . . . . 66.2 m -117.93 148.25 42.36 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.075 0.464 . . . . 76.33 111.553 -168.099 -57.782 -93.526 106.148 103.732 2.029 102.795 -100.856 -54.275 1 1 . 1 . 001 ecloud build full ' K' K ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -169.38 154.35 5.71 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.629 -0.714 . . . . 112.62 110.989 173.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 10' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' K' ' 11' ' ' VAL . 16.2 t0 -83.32 146.04 28.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.768 -1.105 . . . . 138.86 109.809 171.133 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 11' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' K' ' 10' ' ' ASP . 3.8 m -129.62 -0.57 2.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 112.998 0.74 . . . . 150.29 112.998 175.942 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.39 -177.24 47.92 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 119.753 -1.213 . . . . 173.09 111.166 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -56.99 -43.8 82.09 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 113.017 -1.591 . . . . 193.29 111.918 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -46.77 -59.37 3.1 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.93 1.292 . . . . 152.17 111.1 -173.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.77 169.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.577 -1.268 . . . . 143.4 107.577 178.956 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.13 147.5 17.33 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.035 -1.626 . . . . 124.0 109.035 171.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 17' ' ' ALA . . . . . 0.736 ' HB1' ' HB1' ' E' ' 17' ' ' ALA . . . -142.18 166.12 25.57 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 122.164 0.983 . . . . 86.69 110.507 -173.107 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' K' K ' 18' ' ' CYS . . . . . . . . . . . . . 57.3 m -119.06 162.35 18.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.134 -1.393 . . . . 63.4 109.922 -176.039 -54.275 -100.856 106.148 102.795 2.029 103.732 -93.526 -57.782 1 1 . 1 . 001 ecloud build full ' K' K ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 pt -137.25 141.86 38.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 104.883 -2.265 . . . . 83.69 104.883 178.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.22 129.23 20.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 113.63 -1.623 . . . . 107.24 109.007 -175.958 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' K' K ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mmm . . . . . 0 N--CA 1.464 0.272 0 N-CA-C 108.591 -0.892 . . . . 140.7 108.591 171.483 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 101' ' ' HEZ . . . . . 0.457 ' H51' ' HA3' ' I' ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HEZ . . . . . 0.419 ' H62' HD21 ' G' ' 21' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' H' H ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' I' I ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' K' K ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 1' ' ' VAL . . . . . . . . . . . . . 70.5 t . . . . . 0 C--O 1.238 0.492 0 N-CA-C 101.461 -3.533 . . . . 37.89 101.461 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 3' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -130.53 151.83 50.58 Favored 'General case' 0 C--N 1.376 1.738 0 CA-C-N 115.251 -0.886 . . . . 72.99 113.162 179.653 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 tp -78.02 136.04 37.87 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.394 0.616 . . . . 42.54 111.14 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 5' ' ' VAL . . . . . . . . . . . . . 80.1 t -136.19 146.96 28.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 105.261 -2.126 . . . . 32.8 105.261 -179.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 6' ' ' PHI . . . . . 0.514 ' I ' ' SD ' ' C' ' 22' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 7' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -121.93 124.76 44.83 Favored 'General case' 0 CA--C 1.503 -0.828 0 N-CA-C 105.703 -1.962 . . . . 33.29 105.703 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 8' ' ' CYS . . . . . . . . . . . . . 8.4 m -118.29 151.96 36.68 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.715 -1.13 . . . . 42.09 110.348 -168.667 -44.111 -94.361 99.542 101.423 2.021 102.746 -96.297 -44.397 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 9' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -138.31 146.5 42.5 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 107.711 -1.218 . . . . 91.79 107.711 169.312 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 10' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -69.38 123.95 22.57 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.086 -0.961 . . . . 92.77 109.417 -174.93 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 11' ' ' VAL . . . . . . . . . . . . . 3.4 m -100.16 13.72 5.39 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.717 -0.674 . . . . 65.36 111.404 174.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.57 163.61 37.79 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-O 122.405 1.003 . . . . 65.66 112.402 -179.64 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 13' ' ' SER . . . . . 0.416 ' O ' ' OG ' ' F' ' 13' ' ' SER . 1.8 t 58.97 38.23 24.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.517 -0.841 . . . . 88.22 111.2 175.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 14' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 69.0 19.27 8.2 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.303 1.041 . . . . 89.31 112.869 171.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 15' ' ' LYS . . . . . 0.54 ' NZ ' ' OE2' ' H' ' 9' ' ' GLU . 17.9 mmtt -116.59 142.9 46.28 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 109.648 -0.501 . . . . 60.58 109.648 -178.136 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 16' ' ' GLY . . . . . . . . . . . . . . . -117.5 128.48 7.84 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 110.964 -0.854 . . . . 40.58 110.964 173.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.68 119.78 29.48 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.398 -0.964 . . . . 38.02 108.398 173.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 18' ' ' CYS . . . . . . . . . . . . . 8.8 m -120.19 135.2 55.06 Favored 'General case' 0 C--O 1.236 0.347 0 C-N-CA 123.203 0.601 . . . . 36.26 111.613 -176.466 -44.397 -96.297 99.542 102.746 2.021 101.423 -94.361 -44.111 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 19' ' ' ILE . . . . . 0.408 ' HA ' ' HN1' ' F' ' 20' ' ' SAR . 47.2 pt -118.98 147.75 22.31 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.838 0 N-CA-C 109.852 -0.425 . . . . 50.14 109.852 172.058 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 20' ' ' SAR . . . . . 0.465 ' HN3' ' HN3' ' C' ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 21' ' ' LEU . . . . . . . . . . . . . 84.0 mt -129.35 163.89 24.76 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.496 -0.927 . . . . 32.21 108.496 168.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 22' ' ' MET . . . . . 0.537 ' SD ' ' I ' ' C' ' 6' ' ' PHI . 96.5 mmm . . . . . 0 C--O 1.238 0.456 0 CA-C-O 121.973 0.892 . . . . 34.44 108.654 -176.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 1' ' ' VAL . . . . . . . . . . . . . 61.9 t . . . . . 0 N--CA 1.447 -0.599 0 N-CA-C 107.676 -1.231 . . . . 57.68 107.676 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 3' ' ' LYS . . . . . 0.524 ' HD3' ' H ' ' H' ' 3' ' ' LYS . 0.0 OUTLIER -94.94 171.92 8.47 Favored 'General case' 0 C--N 1.381 1.97 0 N-CA-C 114.184 1.179 . . . . 81.22 114.184 179.779 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' H' H ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 tp -92.69 130.19 38.39 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 115.36 -0.837 . . . . 58.04 108.946 178.501 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 5' ' ' VAL . . . . . . . . . . . . . 22.8 t -132.4 131.48 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.622 0 N-CA-C 108.355 -0.98 . . . . 41.53 108.355 -175.871 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 7' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -115.3 111.27 20.64 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 113.428 -1.714 . . . . 40.38 108.999 173.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 8' ' ' CYS . . . . . . . . . . . . . 35.4 m -110.57 152.11 26.82 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 124.942 1.297 . . . . 48.67 111.914 -173.371 -51.455 -77.682 98.235 97.022 2.053 99.458 -126.777 -31.681 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 9' ' ' GLU . . . . . 0.54 ' OE2' ' NZ ' ' F' ' 15' ' ' LYS . 50.3 mm-40 -107.33 164.16 12.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.955 0.902 . . . . 78.96 112.016 -178.882 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 10' ' ' ASP . . . . . 0.421 ' N ' ' OD1' ' H' ' 10' ' ' ASP . 5.8 p-10 -157.65 61.34 0.48 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 114.635 -1.166 . . . . 127.26 109.231 172.076 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' H' H ' 11' ' ' VAL . . . . . . . . . . . . . 61.1 t -105.92 89.45 1.35 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 109.988 -0.375 . . . . 144.56 109.988 -171.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 12' ' ' GLY . . . . . . . . . . . . . . . 54.1 36.26 56.19 Favored Glycine 0 N--CA 1.462 0.379 0 C-N-CA 120.924 -0.655 . . . . 172.6 114.103 177.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 13' ' ' SER . . . . . . . . . . . . . 4.2 t 60.26 9.35 1.89 Allowed 'General case' 0 C--O 1.239 0.507 0 C-N-CA 124.684 1.194 . . . . 163.74 112.702 -174.565 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 14' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 -50.98 -48.67 61.17 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.282 0.563 . . . . 145.49 110.061 169.232 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -144.68 154.32 42.64 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.543 -0.91 . . . . 119.47 108.543 177.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 16' ' ' GLY . . . . . . . . . . . . . . . -132.39 24.65 3.92 Favored Glycine 0 C--N 1.334 0.423 0 N-CA-C 108.943 -1.663 . . . . 85.39 108.943 165.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 17' ' ' ALA . . . . . . . . . . . . . . . -98.19 173.3 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 122.297 1.046 . . . . 61.19 111.633 -173.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 m -143.36 166.53 24.51 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 122.206 1.003 . . . . 45.49 110.861 -177.019 -31.681 -126.777 98.235 99.458 2.053 97.022 -77.682 -51.455 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 19' ' ' ILE . . . . . . . . . . . . . 6.6 pt -141.12 147.65 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.803 -1.09 . . . . 59.84 108.57 178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 21' ' ' LEU . . . . . . . . . . . . . 96.9 mt -138.65 144.39 39.66 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 108.883 -0.784 . . . . 56.92 108.883 174.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' H' H ' 22' ' ' MET . . . . . . . . . . . . . 96.7 mmm . . . . . 0 C--N 1.326 -0.426 0 CA-C-O 122.191 0.996 . . . . 73.45 111.707 179.995 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' VAL . . . . . . . . . . . . . 82.8 t . . . . . 0 CA--C 1.504 -0.801 0 N-CA-C 111.585 0.217 . . . . 48.1 111.585 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 5.7 mmtm -129.14 149.21 51.04 Favored 'General case' 0 C--N 1.372 1.572 0 N-CA-C 116.021 1.86 . . . . 72.97 116.021 -177.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.6 tp -65.41 133.37 51.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.093 -1.412 . . . . 41.17 110.664 174.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 90.8 t -143.47 139.76 26.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 N-CA-C 105.181 -2.155 . . . . 37.88 105.181 176.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' PHI . . . . . 0.435 ' I ' HD11 ' C' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -116.17 129.35 56.27 Favored 'General case' 0 CA--C 1.509 -0.633 0 N-CA-C 108.264 -1.013 . . . . 35.15 108.264 172.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' CYS . . . . . . . . . . . . . 85.8 m -115.21 150.89 35.4 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 114.79 -1.095 . . . . 58.51 112.232 -165.742 -59.598 -79.416 105.279 103.382 2.026 102.743 -109.767 -45.079 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -137.41 128.44 27.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.634 -1.166 . . . . 93.13 108.798 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -71.13 131.54 43.72 Favored 'General case' 0 C--O 1.237 0.439 0 C-N-CA 119.239 -0.984 . . . . 100.83 110.231 -174.807 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 3.7 m -110.8 17.68 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 115.488 -0.778 . . . . 122.48 110.701 175.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' GLY . . . . . . . . . . . . . . . 72.15 178.37 31.48 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-O 122.625 1.125 . . . . 120.84 111.695 178.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 5.4 t 58.5 36.99 25.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 114.537 -0.832 . . . . 142.46 111.366 175.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 59.16 57.89 3.3 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 122.079 0.942 . . . . 135.6 110.955 178.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.1 ttpt -170.54 142.99 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 118.768 -1.173 . . . . 106.66 109.82 178.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' GLY . . . . . . . . . . . . . . . -130.44 150.05 19.13 Favored Glycine 0 N--CA 1.449 -0.492 0 N-CA-C 110.394 -1.082 . . . . 59.36 110.394 170.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.37 131.81 48.77 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.793 -0.818 . . . . 55.99 108.793 179.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' CYS . . . . . . . . . . . . . 10.6 m -126.08 132.21 51.97 Favored 'General case' 0 C--O 1.237 0.399 0 O-C-N 123.425 0.453 . . . . 33.11 110.521 -170.122 -45.079 -109.767 105.279 102.743 2.026 103.382 -79.416 -59.598 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.418 ' HA ' ' HN1' ' B' ' 20' ' ' SAR . 15.5 pt -110.93 155.4 12.35 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 CA-C-N 115.854 -0.612 . . . . 31.34 109.87 178.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' SAR . . . . . 0.418 ' HN1' ' HA ' ' B' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 mp -117.43 147.93 42.25 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.141 -0.689 . . . . 35.23 109.141 170.451 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' MET . . . . . . . . . . . . . 36.6 tpp . . . . . 0 C--N 1.319 -0.76 0 N-CA-C 104.055 -2.572 . . . . 42.17 104.055 176.293 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 1' ' ' VAL . . . . . . . . . . . . . 88.4 t . . . . . 0 CA--C 1.532 0.273 0 CA-C-O 120.521 0.2 . . . . 45.7 110.571 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 3' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -141.11 155.91 46.05 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-O 122.751 1.262 . . . . 59.37 112.096 179.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 tp -84.25 135.01 34.51 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 112.517 -2.129 . . . . 55.68 108.785 -169.841 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -139.05 148.21 24.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-N 116.149 -0.478 . . . . 43.02 110.876 -172.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 7' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -122.11 120.85 35.47 Favored 'General case' 0 N--CA 1.432 -1.332 0 CA-C-N 113.676 -1.602 . . . . 67.63 111.833 173.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 8' ' ' CYS . . . . . . . . . . . . . 57.9 m -124.43 139.3 54.03 Favored 'General case' 0 C--O 1.235 0.312 0 O-C-N 121.778 -0.577 . . . . 49.94 112.035 -169.99 -54.569 -92.584 109.487 106.062 2.032 103.924 -91.671 -59.947 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 9' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -151.13 149.29 29.31 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 106.052 -1.833 . . . . 85.28 106.052 -177.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 10' ' ' ASP . . . . . 0.497 ' HA ' ' HA2' ' I' ' 16' ' ' GLY . 3.0 m-20 -90.99 140.2 30.06 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 108.323 -0.992 . . . . 134.16 108.323 172.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 11' ' ' VAL . . . . . . . . . . . . . 10.6 m -139.82 175.95 6.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.66 0.743 . . . . 132.9 109.332 -167.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 12' ' ' GLY . . . . . . . . . . . . . . . 64.3 -145.94 49.97 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 108.371 -1.892 . . . . 159.51 108.371 -171.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 13' ' ' SER . . . . . . . . . . . . . 32.6 t -96.57 -36.81 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.953 -0.699 . . . . 152.7 112.521 171.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 14' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -141.07 80.46 1.74 Allowed 'General case' 0 C--O 1.205 -1.288 0 C-N-CA 126.925 2.09 . . . . 152.46 107.679 -169.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 15' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? 179.36 154.78 0.48 Allowed 'General case' 0 N--CA 1.493 1.679 1 C-N-CA 110.247 -4.581 . . . . 141.52 110.72 -167.878 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 16' ' ' GLY . . . . . 0.497 ' HA2' ' HA ' ' I' ' 10' ' ' ASP . . . -148.23 155.35 26.38 Favored Glycine 0 C--O 1.245 0.795 0 CA-C-N 118.695 0.68 . . . . 95.25 112.524 177.672 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 17' ' ' ALA . . . . . . . . . . . . . . . -156.02 153.84 30.11 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 114.664 -0.768 . . . . 63.59 111.628 -176.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 18' ' ' CYS . . . . . . . . . . . . . 83.4 m -124.9 140.03 53.29 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.827 -1.079 . . . . 39.27 108.273 -178.702 -59.947 -91.671 109.487 103.924 2.032 106.062 -92.584 -54.569 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 19' ' ' ILE . . . . . 0.453 ' HA ' ' HN1' ' I' ' 20' ' ' SAR . 1.4 pp -112.42 138.1 42.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 C-N-CA 117.183 -1.807 . . . . 54.99 109.397 166.75 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' I' I ' 20' ' ' SAR . . . . . 0.453 ' HN1' ' HA ' ' I' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -133.87 135.52 43.75 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.342 -1.355 . . . . 44.65 107.342 176.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' I' I ' 22' ' ' MET . . . . . . . . . . . . . 61.4 tpp . . . . . 0 C--N 1.322 -0.629 0 N-CA-C 108.225 -1.028 . . . . 50.45 108.225 172.113 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.236 0.364 0 N-CA-C 103.483 -2.784 . . . . 51.13 103.483 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -151.12 151.77 32.43 Favored 'General case' 0 C--N 1.379 1.871 0 N-CA-C 113.458 0.91 . . . . 80.44 113.458 -177.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 33.7 tp -74.53 122.32 22.91 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 120.779 0.323 . . . . 52.32 110.235 177.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -129.75 140.27 49.45 Favored 'Isoleucine or valine' 0 C--O 1.238 0.46 0 CA-C-N 115.662 -0.699 . . . . 45.61 109.454 -177.923 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' PHE . . . . . 0.445 ' O ' ' HB3' ' E' ' 18' ' ' CYS . 20.1 m-85 -121.28 126.98 50.86 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.149 -0.932 . . . . 44.55 108.89 174.868 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' CYS . . . . . . . . . . . . . 4.0 m -129.17 154.96 46.24 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.294 0.569 . . . . 56.41 112.236 -179.613 -40.062 -92.593 104.416 91.269 2.132 96.572 -126.085 -32.552 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -96.95 136.24 37.79 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 115.415 -0.811 . . . . 82.4 110.532 177.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' E' ' 10' ' ' ASP . 6.7 p-10 -128.13 42.71 3.27 Favored 'General case' 0 C--O 1.236 0.39 0 C-N-CA 125.079 1.352 . . . . 130.48 109.217 161.836 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' VAL . . . . . . . . . . . . . 2.0 m -56.34 -52.19 54.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-N 116.147 -0.479 . . . . 152.6 110.907 -169.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' GLY . . . . . . . . . . . . . . . 140.3 113.0 1.02 Allowed Glycine 0 C--N 1.333 0.395 0 O-C-N 121.81 -0.556 . . . . 161.82 112.71 -175.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' SER . . . . . . . . . . . . . 23.3 m 62.17 10.06 3.54 Favored 'General case' 0 C--O 1.239 0.506 0 C-N-CA 124.837 1.255 . . . . 168.0 112.795 -174.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -131.28 98.17 4.47 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 105.882 -1.896 . . . . 152.17 105.882 171.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -57.36 173.79 0.24 Allowed 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 122.416 1.103 . . . . 148.92 110.764 -168.946 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.28 109.39 3.64 Favored Glycine 0 N--CA 1.447 -0.591 0 N-CA-C 117.058 1.583 . . . . 116.11 117.058 -168.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' ALA . . . . . 0.736 ' HB1' ' HB1' ' K' ' 17' ' ' ALA . . . -97.86 159.16 15.1 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.902 -1.147 . . . . 72.76 107.902 163.495 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' CYS . . . . . 0.445 ' HB3' ' O ' ' E' ' 7' ' ' PHE . 2.0 m -140.01 162.39 35.33 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 117.497 -1.681 . . . . 44.72 111.97 177.26 -32.552 -126.085 104.416 96.572 2.132 91.269 -92.593 -40.062 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' ILE . . . . . . . . . . . . . 10.8 pt -140.82 154.03 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 114.282 -1.326 . . . . 54.57 111.044 172.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' LEU . . . . . . . . . . . . . 15.7 mt -137.91 149.67 46.42 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.534 -1.284 . . . . 54.04 107.534 177.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' MET . . . . . . . . . . . . . 70.8 mmm . . . . . 0 CA--C 1.542 0.636 0 CA-C-O 121.111 0.481 . . . . 58.18 110.729 171.84 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--O 1.237 0.396 0 N-CA-C 108.953 -0.758 . . . . 49.7 108.953 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -148.51 166.83 27.01 Favored 'General case' 0 C--N 1.371 1.503 0 CA-C-N 115.73 -0.668 . . . . 80.21 109.744 179.824 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.0 tp -78.65 130.76 36.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.06 -0.973 . . . . 57.42 108.726 177.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.3 t -129.12 146.87 33.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 107.659 -1.237 . . . . 38.61 107.659 -179.255 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -114.44 112.4 22.95 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.986 -0.746 . . . . 31.81 108.986 173.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 64.1 m -111.36 140.77 45.67 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.981 -0.554 . . . . 50.56 110.852 -172.096 -57.299 -77.746 102.962 104.705 2.044 102.612 -113.979 -43.007 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -83.49 141.94 31.29 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.823 -0.626 . . . . 69.12 111.561 179.12 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -95.34 -33.05 12.67 Favored 'General case' 0 CA--C 1.516 -0.359 0 N-CA-C 112.915 0.709 . . . . 113.45 112.915 -175.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 19.4 m -145.67 161.16 12.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 N-CA-C 108.737 -0.838 . . . . 100.1 108.737 -176.322 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 95.03 -143.58 16.69 Favored Glycine 0 N--CA 1.442 -0.907 0 CA-C-N 115.244 -0.889 . . . . 99.51 114.477 169.559 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.0 t -58.51 -58.59 7.87 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-N 114.821 -0.69 . . . . 112.26 111.78 -170.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -108.3 32.93 4.44 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 122.975 0.51 . . . . 98.74 112.019 -169.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -60.46 144.32 51.42 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 119.627 -0.829 . . . . 85.35 109.743 179.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.14 -4.63 61.77 Favored Glycine 0 N--CA 1.441 -0.979 0 CA-C-O 119.235 -0.758 . . . . 88.18 114.531 -175.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.01 147.86 26.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 118.242 1.021 . . . . 50.78 109.198 175.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 6.6 m -131.59 154.93 48.36 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.74 0.781 . . . . 36.3 110.807 -174.669 -43.007 -113.979 102.962 102.612 2.044 104.705 -77.746 -57.299 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.408 ' HA ' ' HN1' ' A' ' 20' ' ' SAR . 34.5 pt -127.91 151.32 34.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 114.865 -1.061 . . . . 44.83 109.523 168.377 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SAR . . . . . 0.408 ' HN1' ' HA ' ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 74.3 mt -134.16 159.93 39.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.642 0.734 . . . . 53.64 110.729 171.272 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.442 -0.834 0 CA-C-N 115.459 -0.791 . . . . 68.16 109.166 -177.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' VAL . . . . . 0.645 ' O ' ' HB2' ' C' ' 2' ' ' ORN . 49.0 t . . . . . 0 CA--C 1.518 -0.252 0 N-CA-C 103.904 -2.628 . . . . 40.62 103.904 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ORN . . . . . 0.645 ' HB2' ' O ' ' C' ' 1' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LYS . . . . . . . . . . . . . 5.4 mtmp? -124.3 147.6 48.02 Favored 'General case' 0 C--N 1.378 1.832 0 N-CA-C 114.098 1.147 . . . . 75.57 114.098 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 4.8 tp -61.97 139.24 58.42 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 119.766 -0.773 . . . . 35.02 110.315 171.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' VAL . . . . . . . . . . . . . 96.1 t -136.5 144.9 31.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 105.115 -2.18 . . . . 33.13 105.115 173.763 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' PHI . . . . . 0.537 ' I ' ' SD ' ' F' ' 22' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -116.87 125.78 52.03 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 107.357 -1.349 . . . . 36.99 107.357 174.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' CYS . . . . . . . . . . . . . 56.3 m -118.71 137.06 53.6 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 122.78 0.432 . . . . 42.23 110.926 -164.821 -53.867 -93.095 109.286 102.362 2.028 105.381 -88.452 -58.793 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -116.09 144.71 43.77 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 124.024 0.93 . . . . 73.64 110.108 173.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -69.92 136.68 50.84 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 118.908 -1.117 . . . . 86.18 108.768 171.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' VAL . . . . . . . . . . . . . 10.7 m -124.05 8.01 4.89 Favored 'Isoleucine or valine' 0 C--O 1.233 0.222 0 CA-C-N 116.317 -0.401 . . . . 55.41 111.461 176.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.24 175.8 26.38 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-O 122.556 1.087 . . . . 55.07 111.682 -179.963 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m 50.68 29.21 4.01 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 114.151 -1.024 . . . . 59.01 111.01 178.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 54.26 48.81 19.97 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.223 1.011 . . . . 77.04 110.963 -178.298 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -128.66 134.82 48.64 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 114.97 -1.014 . . . . 59.1 108.882 177.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.36 128.08 9.26 Favored Glycine 0 C--N 1.333 0.364 0 N-CA-C 110.112 -1.195 . . . . 35.38 110.112 171.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.33 123.95 33.43 Favored 'General case' 0 C--O 1.236 0.369 0 N-CA-C 107.395 -1.335 . . . . 32.46 107.395 173.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' CYS . . . . . . . . . . . . . 75.1 m -120.27 130.31 54.43 Favored 'General case' 0 N--CA 1.45 -0.447 0 O-C-N 123.604 0.565 . . . . 30.03 110.343 -169.689 -58.793 -88.452 109.286 105.381 2.028 102.362 -93.095 -53.867 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ILE . . . . . 0.435 HD11 ' I ' ' B' ' 6' ' ' PHI . 2.4 mm -116.66 139.11 44.94 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.779 0 C-N-CA 125.065 1.346 . . . . 49.22 107.593 -177.676 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' SAR . . . . . 0.465 ' HN3' ' HN3' ' F' ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 95.8 mt -140.0 155.35 47.14 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 107.212 -1.403 . . . . 35.38 107.212 171.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' MET . . . . . 0.514 ' SD ' ' I ' ' F' ' 6' ' ' PHI . 37.9 mmm . . . . . 0 C--N 1.314 -0.956 0 CA-C-O 122.183 0.992 . . . . 36.65 111.619 175.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 C--O 1.237 0.434 0 N-CA-C 101.05 -3.685 . . . . 55.49 101.05 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -159.51 149.93 19.14 Favored 'General case' 0 C--N 1.37 1.468 0 N-CA-C 113.331 0.863 . . . . 81.27 113.331 -175.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' LEU . . . . . 0.471 HD13 ' HE2' ' D' ' 22' ' ' MET . 17.9 tp -81.34 119.51 23.76 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.114 0.483 . . . . 61.53 111.584 -176.574 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 t -123.3 139.98 48.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 106.04 -1.837 . . . . 42.78 106.04 178.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -116.85 126.73 53.46 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 107.318 -1.364 . . . . 37.44 107.318 173.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' CYS . . . . . . . . . . . . . 68.2 m -125.81 151.99 46.05 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 121.173 0.511 . . . . 52.7 110.046 -172.945 -58.123 -79.833 103.072 103.492 2.025 103.896 -110.854 -46.353 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -143.86 -160.15 1.08 Allowed 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.446 -1.316 . . . . 120.04 107.446 166.931 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -127.6 109.36 11.62 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 108.233 -1.025 . . . . 144.48 108.233 -179.413 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' VAL . . . . . 0.411 HG23 ' O ' ' D' ' 15' ' ' LYS . 3.1 t -88.66 162.54 2.57 Favored 'Isoleucine or valine' 0 C--N 1.372 1.558 0 O-C-N 126.502 2.377 . . . . 162.94 110.838 -163.373 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.8 -133.85 52.61 Favored Glycine 0 N--CA 1.467 0.708 0 C-N-CA 117.631 -2.224 . . . . 243.54 109.907 168.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -97.11 -30.84 12.79 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 117.997 -1.481 . . . . 176.34 112.87 172.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -173.58 104.48 0.12 Allowed 'General case' 0 C--O 1.235 0.298 0 N-CA-C 117.531 2.419 . . . . 170.93 117.531 151.248 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LYS . . . . . 0.411 ' O ' HG23 ' D' ' 11' ' ' VAL . 4.0 tttt -156.57 141.87 17.43 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.092 1.757 . . . . 140.0 107.49 166.872 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' GLY . . . . . . . . . . . . . . . -98.18 115.45 5.29 Favored Glycine 0 N--CA 1.452 -0.29 0 O-C-N 123.106 0.254 . . . . 95.41 113.625 -173.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.13 152.47 32.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.538 0.685 . . . . 57.68 109.651 178.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' CYS . . . . . . . . . . . . . 14.0 m -132.46 163.25 29.2 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.233 -1.025 . . . . 36.3 108.233 -176.008 -46.353 -110.854 103.072 103.896 2.025 103.492 -79.833 -58.123 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ILE . . . . . 0.41 ' HA ' ' HN1' ' D' ' 20' ' ' SAR . 46.8 pt -140.53 154.66 22.36 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.505 0 CA-C-N 115.436 -0.802 . . . . 47.3 109.758 168.817 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' SAR . . . . . 0.41 ' HN1' ' HA ' ' D' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' LEU . . . . . . . . . . . . . 39.9 mt -136.29 156.11 49.12 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 118.947 0.794 . . . . 48.67 108.858 170.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' MET . . . . . 0.471 ' HE2' HD13 ' D' ' 4' ' ' LEU . 11.8 mmt . . . . . 0 N--CA 1.443 -0.803 0 CA-C-N 115.752 -0.658 . . . . 62.91 111.478 178.91 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 1' ' ' VAL . . . . . . . . . . . . . 4.5 t . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 107.474 -1.306 . . . . 121.52 107.474 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 3' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -107.13 164.71 11.93 Favored 'General case' 0 C--N 1.374 1.672 0 CA-C-N 115.607 -0.724 . . . . 119.12 112.135 -179.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 4' ' ' LEU . . . . . 0.436 ' HA ' ' O ' ' J' ' 21' ' ' LEU . 1.3 pt? -85.26 150.76 24.56 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 122.288 1.042 . . . . 95.17 111.416 -172.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -125.69 141.18 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.932 0 CA-C-N 114.048 -1.433 . . . . 59.95 108.889 -177.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 7' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -111.37 130.02 55.82 Favored 'General case' 0 C--N 1.323 -0.575 0 C-N-CA 120.413 -0.515 . . . . 48.58 109.946 169.948 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 8' ' ' CYS . . . . . . . . . . . . . 72.9 m -127.57 138.11 52.78 Favored 'General case' 0 C--O 1.236 0.393 0 N-CA-C 108.544 -0.91 . . . . 33.6 108.544 -166.906 -62.991 -78.995 107.164 104.865 2.035 105.059 -106.495 -51.538 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -155.56 171.41 19.99 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 106.128 -1.804 . . . . 55.53 106.128 -166.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.31 124.15 46.54 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.451 -0.5 . . . . 95.31 110.27 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 11' ' ' VAL . . . . . . . . . . . . . 70.2 t -52.47 -49.53 43.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.453 0 CA-C-N 115.091 -0.959 . . . . 141.13 110.886 -176.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 12' ' ' GLY . . . . . . . . . . . . . . . 122.79 142.96 6.29 Favored Glycine 0 N--CA 1.447 -0.615 0 N-CA-C 107.405 -2.278 . . . . 157.3 107.405 -159.164 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 13' ' ' SER . . . . . . . . . . . . . 3.3 m 71.49 10.22 6.5 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 124.081 0.952 . . . . 176.06 111.464 -165.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 t30 73.16 29.74 1.69 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 124.283 1.033 . . . . 159.62 112.348 175.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 15' ' ' LYS . . . . . . . . . . . . . 11.9 pttt -112.43 145.27 40.46 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.203 -1.036 . . . . 127.8 108.203 167.259 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 16' ' ' GLY . . . . . . . . . . . . . . . -111.87 165.03 12.06 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.527 -0.844 . . . . 76.4 114.094 -174.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 17' ' ' ALA . . . . . . . . . . . . . . . -159.26 152.22 22.01 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.444 0.64 . . . . 55.54 109.748 179.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 18' ' ' CYS . . . . . . . . . . . . . 35.7 m -121.01 151.14 40.12 Favored 'General case' 0 N--CA 1.449 -0.508 0 CA-C-N 114.786 -1.097 . . . . 38.55 109.069 177.549 -51.538 -106.495 107.164 105.059 2.035 104.865 -78.995 -62.991 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 19' ' ' ILE . . . . . . . . . . . . . 5.4 pt -119.59 138.08 51.39 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 N-CA-C 106.632 -1.618 . . . . 56.49 106.632 172.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 21' ' ' LEU . . . . . 0.436 ' O ' ' HA ' ' J' ' 4' ' ' LEU . 8.8 mt -146.97 112.67 5.67 Favored 'General case' 0 CA--C 1.534 0.343 0 O-C-N 123.574 0.546 . . . . 87.59 110.172 178.032 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 22' ' ' MET . . . . . . . . . . . . . 24.0 tpp . . . . . 0 N--CA 1.466 0.345 0 N-CA-C 107.402 -1.333 . . . . 118.44 107.402 175.817 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 1' ' ' VAL . . . . . . . . . . . . . 60.3 t . . . . . 0 CA--C 1.516 -0.353 0 N-CA-C 113.244 0.831 . . . . 53.95 113.244 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 3' ' ' LYS . . . . . . . . . . . . . 2.5 mmtt -138.12 155.99 48.2 Favored 'General case' 0 C--N 1.375 1.711 0 CA-C-O 121.978 0.894 . . . . 75.97 112.272 179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 4' ' ' LEU . . . . . . . . . . . . . 29.2 tp -66.37 128.32 35.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-N 113.556 -1.656 . . . . 40.61 111.348 -179.544 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 5' ' ' VAL . . . . . . . . . . . . . 40.9 t -135.31 138.19 48.88 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.874 0 N-CA-C 108.209 -1.034 . . . . 38.11 108.209 174.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -118.2 127.37 53.68 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 108.466 -0.938 . . . . 34.59 108.466 174.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 8' ' ' CYS . . . . . . . . . . . . . 50.9 m -111.01 153.57 25.39 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 124.546 1.138 . . . . 48.66 110.354 -168.163 -53.202 -80.437 101.244 102.245 2.031 104.347 -108.788 -43.97 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 9' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -138.32 158.58 44.01 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 108.661 -0.866 . . . . 86.09 108.661 170.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -54.82 141.66 32.08 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 114.743 -1.117 . . . . 73.89 110.716 175.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 11' ' ' VAL . . . . . 0.454 HG22 ' O ' ' G' ' 15' ' ' LYS . 1.9 m -128.5 -2.05 3.41 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.328 0 N-CA-C 112.59 0.589 . . . . 60.22 112.59 169.39 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.5 148.88 17.72 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 110.981 -0.848 . . . . 82.37 110.981 -174.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m 67.13 27.63 8.49 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 111.941 0.348 . . . . 79.27 111.941 -179.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 14' ' ' ASN . . . . . . . . . . . . . 12.8 m120 57.6 32.92 22.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.782 0.325 . . . . 105.92 111.239 -178.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 15' ' ' LYS . . . . . 0.454 ' O ' HG22 ' G' ' 11' ' ' VAL . 8.2 mmmt -110.55 153.04 25.67 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.272 0.558 . . . . 83.31 110.369 177.642 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.52 136.84 10.96 Favored Glycine 0 N--CA 1.453 -0.189 0 CA-C-N 114.902 -1.045 . . . . 52.13 111.296 -176.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 17' ' ' ALA . . . . . . . . . . . . . . . -109.57 128.94 55.57 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 106.966 -1.494 . . . . 40.67 106.966 171.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 18' ' ' CYS . . . . . . . . . . . . . 8.2 m -127.73 127.61 43.94 Favored 'General case' 0 C--O 1.237 0.432 0 N-CA-C 110.119 -0.326 . . . . 31.99 110.119 -167.842 -43.97 -108.788 101.244 104.347 2.031 102.245 -80.437 -53.202 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 19' ' ' ILE . . . . . 0.419 ' HA ' ' HN1' ' G' ' 20' ' ' SAR . 41.8 pt -102.38 159.03 4.45 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-N 115.728 -0.669 . . . . 34.41 110.708 176.287 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 20' ' ' SAR . . . . . 0.419 ' HN1' ' HA ' ' G' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 21' ' ' LEU . . . . . 0.419 HD21 ' H62' ' C' ' 101' ' ' HEZ . 10.9 mp -114.22 142.85 45.74 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 112.425 -2.17 . . . . 42.66 109.94 174.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 22' ' ' MET . . . . . . . . . . . . . 46.2 tpp . . . . . 0 C--N 1.322 -0.594 0 N-CA-C 105.218 -2.141 . . . . 43.15 105.218 175.729 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 1' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' K' ' 3' ' ' LYS . 77.6 t . . . . . 0 N--CA 1.455 -0.176 0 CA-C-O 120.887 0.375 . . . . 148.16 110.594 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 2' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 3' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' K' ' 1' ' ' VAL . 3.7 pttm -156.09 -171.34 3.69 Favored 'General case' 0 C--N 1.375 1.702 0 N-CA-C 114.439 1.274 . . . . 109.13 114.439 -176.768 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 4' ' ' LEU . . . . . . . . . . . . . 44.9 tp -110.09 89.11 2.92 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 124.672 1.189 . . . . 99.29 111.052 -166.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 5' ' ' VAL . . . . . . . . . . . . . 4.6 t -80.96 136.18 23.69 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 N-CA-C 115.269 1.581 . . . . 90.92 115.269 -174.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 6' ' ' PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 7' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -120.51 115.56 23.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 114.888 -1.051 . . . . 100.91 108.609 174.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 8' ' ' CYS . . . . . . . . . . . . . 66.2 m -117.93 148.25 42.36 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.075 0.464 . . . . 76.33 111.553 -168.099 -57.782 -93.526 106.148 103.732 2.029 102.795 -100.856 -54.275 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -169.38 154.35 5.71 Favored 'General case' 0 C--O 1.231 0.123 0 CA-C-N 115.629 -0.714 . . . . 112.62 110.989 173.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 10' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' K' ' 11' ' ' VAL . 16.2 t0 -83.32 146.04 28.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 114.768 -1.105 . . . . 138.86 109.809 171.133 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 11' ' ' VAL . . . . . 0.438 ' N ' ' OD1' ' K' ' 10' ' ' ASP . 3.8 m -129.62 -0.57 2.73 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 112.998 0.74 . . . . 150.29 112.998 175.942 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.39 -177.24 47.92 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 119.753 -1.213 . . . . 173.09 111.166 178.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -56.99 -43.8 82.09 Favored 'General case' 0 C--O 1.245 0.818 0 CA-C-N 113.017 -1.591 . . . . 193.29 111.918 176.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 14' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -46.77 -59.37 3.1 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.93 1.292 . . . . 152.17 111.1 -173.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.77 169.52 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 107.577 -1.268 . . . . 143.4 107.577 178.956 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 16' ' ' GLY . . . . . . . . . . . . . . . -110.13 147.5 17.33 Favored Glycine 0 N--CA 1.45 -0.382 0 N-CA-C 109.035 -1.626 . . . . 124.0 109.035 171.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 17' ' ' ALA . . . . . 0.736 ' HB1' ' HB1' ' E' ' 17' ' ' ALA . . . -142.18 166.12 25.57 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-O 122.164 0.983 . . . . 86.69 110.507 -173.107 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' K' K ' 18' ' ' CYS . . . . . . . . . . . . . 57.3 m -119.06 162.35 18.72 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.134 -1.393 . . . . 63.4 109.922 -176.039 -54.275 -100.856 106.148 102.795 2.029 103.732 -93.526 -57.782 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 pt -137.25 141.86 38.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 104.883 -2.265 . . . . 83.69 104.883 178.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 20' ' ' SAR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 mt -142.22 129.23 20.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 113.63 -1.623 . . . . 107.24 109.007 -175.958 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' K' K ' 22' ' ' MET . . . . . . . . . . . . . 6.1 mmm . . . . . 0 N--CA 1.464 0.272 0 N-CA-C 108.591 -0.892 . . . . 140.7 108.591 171.483 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 101' ' ' HEZ . . . . . 0.457 ' H51' ' HA3' ' I' ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HEZ . . . . . 0.419 ' H62' HD21 ' G' ' 21' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 102' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 101' ' ' HEZ . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' H' H ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' I' I ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' K' K ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_