data_6j4e_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 6j4e _Structure_validation_residue.Date_analyzed 2020-01-10 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 ' C' C ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.401 -2.32 0 C3'-C2'-C1' 104.934 1.595 . . . . 134.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.843 0 O4'-C1'-N19 109.538 2.172 . . . . 113.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.603 -0.301 0 O3'-P-O5' 102.949 -0.553 . . . . 98.69 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ' DC' . . . . . 0.411 ' OP2' ' NH1' ' B' ' 117' ' ' ARG . . . . . . . . 0 P--O3' 1.599 -0.628 0 O4'-C1'-C2' 106.988 0.807 . . . . 79.95 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ' DT' . . . . . 0.475 " C5'" ' C6 ' ' C' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.908 0 O4'-C4'-C3' 103.167 -2.433 . . . . 79.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.386 -3.349 0 C5'-C4'-C3' 117.068 1.578 . . . . 75.71 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.399 -2.576 0 P-O3'-C3' 123.305 3.004 . . . . 81.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O5'--C5' 1.374 -4.101 0 P-O5'-C5' 118.466 -1.521 . . . . 84.54 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.413 -1.711 0 O4'-C1'-N19 106.794 -1.258 . . . . 78.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.388 -3.238 0 C1'-O4'-C4' 107.615 -1.489 . . . . 86.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.373 -4.446 0 C3'-C2'-C1' 99.81 -2.065 . . . . 94.92 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ' DA' . . . . . 0.425 ' C2 ' ' N2 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 P--O3' 1.602 -0.392 0 O3'-P-O5' 102.896 -0.581 . . . . 93.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.601 -0.538 0 C3'-C2'-C1' 101.888 -0.58 . . . . 91.01 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--OP1 1.444 -2.413 0 C4'-C3'-O3' 103.192 -3.231 . . . . 104.61 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ' DG' . . . . . 0.531 ' N2 ' ' O2 ' ' D' ' 2' ' ' ' DC' . . . . . . . . 1 P--O3' 1.538 -5.752 0 P-O5'-C5' 117.757 -1.965 . . . . 100.99 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.511 -1.683 0 C4'-C3'-C2' 100.985 -2.215 . . . . 138.62 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' ' DC' . . . . . 0.531 ' O2 ' ' N2 ' ' C' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.408 -2.02 0 C3'-C2'-C1' 100.85 -1.321 . . . . 130.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.379 -3.971 0 C3'-C2'-C1' 99.03 -2.621 . . . . 131.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -2.014 0 OP1-P-OP2 121.846 1.498 . . . . 103.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.524 0.579 0 C3'-C2'-C1' 105.406 1.933 . . . . 88.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ' DG' . . . . . 0.425 ' N2 ' ' C2 ' ' C' ' 12' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.514 -0.506 0 C4'-C3'-C2' 104.324 1.124 . . . . 71.5 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.393 -2.911 0 O4'-C1'-C2' 104.463 -1.488 . . . . 58.4 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.375 -4.337 0 P-O5'-C5' 117.17 -2.331 . . . . 57.78 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.387 -3.37 0 OP1-P-OP2 123.551 2.634 . . . . 66.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.402 -2.263 0 C3'-C2'-C1' 97.731 -3.549 . . . . 93.35 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.377 -4.116 1 OP1-P-OP2 126.297 4.464 . . . . 91.05 . . . . . . . . . . 2 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.397 -2.592 0 C1'-O4'-C4' 107.356 -1.675 . . . . 103.88 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.395 -2.832 0 OP1-P-OP2 123.012 2.275 . . . . 118.17 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.233 0 P-O5'-C5' 118.737 -1.352 . . . . 117.83 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.412 -1.781 0 O4'-C1'-N19 108.816 1.27 . . . . 136.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 109.459 -0.571 . . . . 132.74 109.459 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' MET . . . . . . . . . . . . . 8.7 ttt -84.09 157.22 21.83 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 118.833 -1.147 . . . . 132.98 110.526 177.167 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -117.53 143.71 45.81 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.229 -0.896 . . . . 120.25 111.725 -170.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ASP . . . . . 0.418 ' OD2' ' OH ' ' B' ' 160' ' ' TYR . 43.8 p30 -130.44 14.99 5.53 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.73 1.212 . . . . 81.45 111.424 -178.845 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.0 12.33 66.15 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 116.255 1.262 . . . . 100.56 116.255 171.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -128.74 168.07 16.36 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 118.56 1.18 . . . . 85.11 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -107.92 116.11 31.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.399 -0.818 . . . . 74.52 110.361 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' TRP . . . . . . . . . . . . . 36.5 m95 -115.75 140.12 49.51 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.053 -0.721 . . . . 73.03 109.053 -176.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ARG . . . . . 0.411 ' NH1' ' OP2' ' C' ' 4' ' ' ' DC' . 24.9 ttp180 -109.55 138.85 45.32 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.299 -1.0 . . . . 93.88 108.299 170.458 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' LYS . . . . . 0.426 ' NZ ' ' OE1' ' B' ' 121' ' ' GLN . 25.1 tttt -88.05 123.4 32.7 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 110.223 -0.288 . . . . 63.78 110.223 -175.619 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -115.59 7.46 14.83 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 119.373 -0.931 . . . . 56.91 112.948 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.44 171.67 41.17 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 109.521 -1.431 . . . . 55.64 109.521 170.015 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' GLN . . . . . 0.426 ' OE1' ' NZ ' ' B' ' 118' ' ' LYS . 34.1 tt0 -157.43 138.06 13.07 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.313 -0.995 . . . . 84.08 108.313 173.05 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -146.53 145.52 30.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 123.509 0.506 . . . . 60.25 110.505 -168.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.21 136.48 33.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.679 -0.692 . . . . 79.01 109.498 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 18.9 m -135.95 169.63 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.764 0.793 . . . . 76.68 110.145 -172.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 47.34 53.24 11.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.615 -1.175 . . . . 85.81 109.739 175.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 58.68 58.5 14.26 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 114.875 -1.057 . . . . 93.01 114.698 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 52.8 21.74 2.06 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.783 0.66 . . . . 105.23 112.783 175.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -85.1 -52.42 5.96 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.166 -1.014 . . . . 126.13 110.606 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -111.86 162.19 15.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.516 0.674 . . . . 98.4 109.585 174.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 1.6 p -124.9 134.98 65.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.119 -1.067 . . . . 62.62 108.119 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -112.83 134.66 54.24 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.882 0.873 . . . . 65.84 109.468 -168.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.42 136.42 53.02 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.568 -0.901 . . . . 64.35 108.568 -179.171 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 133' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -113.78 121.28 43.57 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.649 0.78 . . . . 58.38 110.435 -175.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 134' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -121.32 152.01 39.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.434 0.694 . . . . 67.38 111.142 177.719 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -130.1 155.96 45.32 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.254 -0.647 . . . . 64.16 109.254 168.94 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 136' ' ' CYS . . . . . . . . . . . . . 38.9 t -70.09 137.9 51.57 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.0 0.905 . . . . 63.89 111.443 -176.083 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 137' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.55 -18.57 54.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.629 -1.168 . . . . 73.73 112.699 -172.975 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 138' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -69.91 139.61 88.25 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.978 -0.379 . . . . 84.62 109.978 -175.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 139' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -59.8 142.38 98.53 Favored 'Trans proline' 0 C--N 1.329 -0.487 0 C-N-CA 120.699 0.933 . . . . 76.92 113.418 -175.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 140' ' ' ASN . . . . . . . . . . . . . 5.1 m120 66.54 -3.27 0.89 Allowed 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.347 1.059 . . . . 79.52 113.625 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 141' ' ' CYS . . . . . . . . . . . . . 45.5 t -80.61 119.88 23.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.412 -0.515 . . . . 59.95 110.233 -174.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -90.4 7.66 37.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.559 0.948 . . . . 76.01 113.559 -176.001 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.38 135.22 47.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 118.674 0.67 . . . . 58.7 110.276 -177.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -130.78 146.48 52.25 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.143 -0.688 . . . . 68.06 109.143 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 145' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -127.86 157.71 39.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.992 0.901 . . . . 67.92 109.208 166.676 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -131.65 152.36 50.91 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 107.234 -1.395 . . . . 58.76 107.234 169.615 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 pp -144.17 150.08 37.47 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.266 -1.013 . . . . 71.52 108.266 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -134.48 116.21 14.85 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.351 -1.351 . . . . 77.87 107.351 -152.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 11.0 mtp85 -105.45 147.85 27.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.273 0.559 . . . . 112.1 110.241 -170.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 150' ' ' SER . . . . . 0.461 ' N ' ' O ' ' B' ' 154' ' ' GLN . 41.1 t -73.22 169.37 17.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.984 -1.007 . . . . 106.39 110.244 174.679 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.15 -35.96 67.76 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.306 -0.861 . . . . 91.85 111.182 177.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 152' ' ' GLY . . . . . . . . . . . . . . . -85.8 27.29 5.45 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 115.074 0.789 . . . . 114.06 115.074 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . 69.87 -9.08 3.0 Favored Glycine 0 C--O 1.241 0.531 0 N-CA-C 115.836 1.094 . . . . 97.75 115.836 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 154' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' B' ' 150' ' ' SER . 25.0 tt0 -69.9 141.1 53.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.515 1.157 . . . . 121.7 110.268 178.455 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 54.6 t -85.81 122.23 38.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 123.054 0.542 . . . . 68.35 110.089 -175.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 156' ' ' VAL . . . . . . . . . . . . . 52.2 t -84.41 -70.5 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 120.444 -0.502 . . . . 78.85 111.068 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -122.4 172.12 8.57 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 122.353 1.073 . . . . 71.87 110.815 -178.452 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 26.5 m -141.79 132.77 26.0 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.078 -1.453 . . . . 63.57 107.078 173.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 6.8 t -121.83 129.11 75.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 107.48 -1.304 . . . . 46.95 107.48 -172.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 160' ' ' TYR . . . . . 0.418 ' OH ' ' OD2' ' B' ' 112' ' ' ASP . 85.4 m-85 -114.34 132.41 56.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.877 -0.786 . . . . 65.88 108.877 179.5 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 161' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -118.07 134.04 55.35 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.014 -1.106 . . . . 64.15 108.014 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 162' ' ' GLY . . . . . . . . . . . . . . . 71.78 -174.65 42.51 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-O 122.861 1.256 . . . . 76.48 114.222 173.883 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 163' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -136.25 153.26 51.25 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.056 -1.072 . . . . 114.52 108.43 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 164' ' ' HIS . . . . . . . . . . . . . 39.0 m-70 -77.84 153.55 32.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.08 -0.648 . . . . 66.51 110.678 -177.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 165' ' ' ASP . . . . . 0.4 ' N ' ' OD1' ' B' ' 165' ' ' ASP . 29.3 p-10 -92.62 1.67 57.13 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.362 -0.935 . . . . 94.93 111.403 174.227 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 166' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -128.44 160.37 62.75 Favored Pre-proline 0 C--N 1.311 -1.089 0 N-CA-C 105.893 -1.891 . . . . 83.12 105.893 -176.54 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 167' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.77 -177.58 3.2 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 CA-C-N 118.794 0.605 . . . . 87.84 112.398 174.093 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -66.97 137.04 94.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 C-N-CA 120.08 -0.648 . . . . 88.01 109.903 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 169' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.242 0.678 0 C-N-CA 120.526 0.817 . . . . 99.41 112.687 177.14 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ' DA' . . . . . 0.55 ' H8 ' H5'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.401 -2.32 0 C3'-C2'-C1' 104.934 1.595 . . . . 134.04 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.843 0 O4'-C1'-N19 109.538 2.172 . . . . 113.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.603 -0.301 0 O3'-P-O5' 102.949 -0.553 . . . . 98.69 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ' DC' . . . . . 0.516 ' OP2' ' HD3' ' B' ' 117' ' ' ARG . . . . . . . . 0 P--O3' 1.599 -0.628 0 O4'-C1'-C2' 106.988 0.807 . . . . 79.95 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ' DT' . . . . . 0.647 ' H6 ' " H5'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.908 0 O4'-C4'-C3' 103.167 -2.433 . . . . 79.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ' DT' . . . . . 0.567 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.386 -3.349 0 C5'-C4'-C3' 117.068 1.578 . . . . 75.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ' DT' . . . . . 0.459 H2'' ' C8 ' ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.399 -2.576 0 P-O3'-C3' 123.305 3.004 . . . . 81.36 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' ' DG' . . . . . 0.459 ' C8 ' H2'' ' C' ' 7' ' ' ' DT' . . . . . . . . 1 O5'--C5' 1.374 -4.101 0 P-O5'-C5' 118.466 -1.521 . . . . 84.54 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.413 -1.711 0 O4'-C1'-N19 106.794 -1.258 . . . . 78.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.388 -3.238 0 C1'-O4'-C4' 107.615 -1.489 . . . . 86.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.373 -4.446 0 C3'-C2'-C1' 99.81 -2.065 . . . . 94.92 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ' DA' . . . . . 0.425 ' C2 ' ' N2 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 P--O3' 1.602 -0.392 0 O3'-P-O5' 102.896 -0.581 . . . . 93.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ' DG' . . . . . 0.55 " H1'" " H5'" ' C' ' 14' ' ' ' DC' . . . . . . . . 0 P--O3' 1.601 -0.538 0 C3'-C2'-C1' 101.888 -0.58 . . . . 91.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ' DC' . . . . . 0.55 " H5'" " H1'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 P--OP1 1.444 -2.413 0 C4'-C3'-O3' 103.192 -3.231 . . . . 104.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ' DG' . . . . . 0.495 ' N2 ' ' O2 ' ' D' ' 2' ' ' ' DC' . . . . . . . . 1 P--O3' 1.538 -5.752 0 P-O5'-C5' 117.757 -1.965 . . . . 100.99 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.511 -1.683 0 C4'-C3'-C2' 100.985 -2.215 . . . . 138.62 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' ' DC' . . . . . 0.495 ' O2 ' ' N2 ' ' C' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.408 -2.02 0 C3'-C2'-C1' 100.85 -1.321 . . . . 130.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.379 -3.971 0 C3'-C2'-C1' 99.03 -2.621 . . . . 131.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -2.014 0 OP1-P-OP2 121.846 1.498 . . . . 103.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.524 0.579 0 C3'-C2'-C1' 105.406 1.933 . . . . 88.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ' DG' . . . . . 0.425 ' N2 ' ' C2 ' ' C' ' 12' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.514 -0.506 0 C4'-C3'-C2' 104.324 1.124 . . . . 71.5 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ' DG' . . . . . 0.433 ' N7 ' ' HD2' ' B' ' 122' ' ' LYS . . . . . . . . 0 O5'--C5' 1.393 -2.911 0 O4'-C1'-C2' 104.463 -1.488 . . . . 58.4 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.375 -4.337 0 P-O5'-C5' 117.17 -2.331 . . . . 57.78 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.387 -3.37 0 OP1-P-OP2 123.551 2.634 . . . . 66.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.402 -2.263 0 C3'-C2'-C1' 97.731 -3.549 . . . . 93.35 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.377 -4.116 1 OP1-P-OP2 126.297 4.464 . . . . 91.05 . . . . . . . . . . 2 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.397 -2.592 0 C1'-O4'-C4' 107.356 -1.675 . . . . 103.88 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.395 -2.832 0 OP1-P-OP2 123.012 2.275 . . . . 118.17 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.233 0 P-O5'-C5' 118.737 -1.352 . . . . 117.83 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.412 -1.781 0 O4'-C1'-N19 108.816 1.27 . . . . 136.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 109.459 -0.571 . . . . 132.74 109.459 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' B' ' 111' ' ' GLU . 8.7 ttt -84.09 157.22 21.83 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 118.833 -1.147 . . . . 132.98 110.526 177.167 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 111' ' ' GLU . . . . . 0.447 ' N ' ' HG2' ' B' ' 110' ' ' MET . 1.2 mm-40 -117.53 143.71 45.81 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.229 -0.896 . . . . 120.25 111.725 -170.617 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 43.8 p30 -130.44 14.99 5.53 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.73 1.212 . . . . 81.45 111.424 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.0 12.33 66.15 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 116.255 1.262 . . . . 100.56 116.255 171.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -128.74 168.07 16.36 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 118.56 1.18 . . . . 85.11 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -107.92 116.11 31.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.399 -0.818 . . . . 74.52 110.361 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' TRP . . . . . 0.546 ' HB3' ' HB3' ' B' ' 134' ' ' TYR . 36.5 m95 -115.75 140.12 49.51 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.053 -0.721 . . . . 73.03 109.053 -176.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ARG . . . . . 0.516 ' HD3' ' OP2' ' C' ' 4' ' ' ' DC' . 24.9 ttp180 -109.55 138.85 45.32 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.299 -1.0 . . . . 93.88 108.299 170.458 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 118' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -88.05 123.4 32.7 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 110.223 -0.288 . . . . 63.78 110.223 -175.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -115.59 7.46 14.83 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 119.373 -0.931 . . . . 56.91 112.948 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.44 171.67 41.17 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 109.521 -1.431 . . . . 55.64 109.521 170.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -157.43 138.06 13.07 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.313 -0.995 . . . . 84.08 108.313 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 122' ' ' LYS . . . . . 0.433 ' HD2' ' N7 ' ' D' ' 7' ' ' ' DG' . 8.0 mttm -146.53 145.52 30.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 123.509 0.506 . . . . 60.25 110.505 -168.721 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.21 136.48 33.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.679 -0.692 . . . . 79.01 109.498 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 18.9 m -135.95 169.63 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.764 0.793 . . . . 76.68 110.145 -172.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 47.34 53.24 11.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.615 -1.175 . . . . 85.81 109.739 175.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 58.68 58.5 14.26 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 114.875 -1.057 . . . . 93.01 114.698 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 52.8 21.74 2.06 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.783 0.66 . . . . 105.23 112.783 175.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -85.1 -52.42 5.96 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.166 -1.014 . . . . 126.13 110.606 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -111.86 162.19 15.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.516 0.674 . . . . 98.4 109.585 174.79 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 1.6 p -124.9 134.98 65.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.119 -1.067 . . . . 62.62 108.119 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -112.83 134.66 54.24 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.882 0.873 . . . . 65.84 109.468 -168.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.42 136.42 53.02 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.568 -0.901 . . . . 64.35 108.568 -179.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 133' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -113.78 121.28 43.57 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.649 0.78 . . . . 58.38 110.435 -175.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 134' ' ' TYR . . . . . 0.546 ' HB3' ' HB3' ' B' ' 116' ' ' TRP . 65.0 m-85 -121.32 152.01 39.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.434 0.694 . . . . 67.38 111.142 177.719 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -130.1 155.96 45.32 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.254 -0.647 . . . . 64.16 109.254 168.94 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 136' ' ' CYS . . . . . . . . . . . . . 38.9 t -70.09 137.9 51.57 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.0 0.905 . . . . 63.89 111.443 -176.083 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 137' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.55 -18.57 54.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.629 -1.168 . . . . 73.73 112.699 -172.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 138' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -69.91 139.61 88.25 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.978 -0.379 . . . . 84.62 109.978 -175.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 139' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -59.8 142.38 98.53 Favored 'Trans proline' 0 C--N 1.329 -0.487 0 C-N-CA 120.699 0.933 . . . . 76.92 113.418 -175.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 140' ' ' ASN . . . . . . . . . . . . . 5.1 m120 66.54 -3.27 0.89 Allowed 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.347 1.059 . . . . 79.52 113.625 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 141' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' B' ' 164' ' ' HIS . 45.5 t -80.61 119.88 23.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.412 -0.515 . . . . 59.95 110.233 -174.801 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -90.4 7.66 37.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.559 0.948 . . . . 76.01 113.559 -176.001 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.38 135.22 47.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 118.674 0.67 . . . . 58.7 110.276 -177.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -130.78 146.48 52.25 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.143 -0.688 . . . . 68.06 109.143 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 145' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -127.86 157.71 39.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.992 0.901 . . . . 67.92 109.208 166.676 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -131.65 152.36 50.91 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 107.234 -1.395 . . . . 58.76 107.234 169.615 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 pp -144.17 150.08 37.47 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.266 -1.013 . . . . 71.52 108.266 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -134.48 116.21 14.85 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.351 -1.351 . . . . 77.87 107.351 -152.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 11.0 mtp85 -105.45 147.85 27.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.273 0.559 . . . . 112.1 110.241 -170.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 150' ' ' SER . . . . . . . . . . . . . 41.1 t -73.22 169.37 17.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.984 -1.007 . . . . 106.39 110.244 174.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.15 -35.96 67.76 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.306 -0.861 . . . . 91.85 111.182 177.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 152' ' ' GLY . . . . . . . . . . . . . . . -85.8 27.29 5.45 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 115.074 0.789 . . . . 114.06 115.074 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . 69.87 -9.08 3.0 Favored Glycine 0 C--O 1.241 0.531 0 N-CA-C 115.836 1.094 . . . . 97.75 115.836 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 154' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -69.9 141.1 53.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.515 1.157 . . . . 121.7 110.268 178.455 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 54.6 t -85.81 122.23 38.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 123.054 0.542 . . . . 68.35 110.089 -175.898 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 156' ' ' VAL . . . . . . . . . . . . . 52.2 t -84.41 -70.5 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 120.444 -0.502 . . . . 78.85 111.068 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -122.4 172.12 8.57 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 122.353 1.073 . . . . 71.87 110.815 -178.452 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 26.5 m -141.79 132.77 26.0 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.078 -1.453 . . . . 63.57 107.078 173.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 6.8 t -121.83 129.11 75.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 107.48 -1.304 . . . . 46.95 107.48 -172.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -114.34 132.41 56.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.877 -0.786 . . . . 65.88 108.877 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 161' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -118.07 134.04 55.35 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.014 -1.106 . . . . 64.15 108.014 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 162' ' ' GLY . . . . . . . . . . . . . . . 71.78 -174.65 42.51 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-O 122.861 1.256 . . . . 76.48 114.222 173.883 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 163' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -136.25 153.26 51.25 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.056 -1.072 . . . . 114.52 108.43 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 164' ' ' HIS . . . . . 0.521 ' HA ' ' SG ' ' B' ' 141' ' ' CYS . 39.0 m-70 -77.84 153.55 32.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.08 -0.648 . . . . 66.51 110.678 -177.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -92.62 1.67 57.13 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.362 -0.935 . . . . 94.93 111.403 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 166' ' ' HIS . . . . . 0.511 ' CD2' ' HB3' ' B' ' 164' ' ' HIS . 11.7 p80 -128.44 160.37 62.75 Favored Pre-proline 0 C--N 1.311 -1.089 0 N-CA-C 105.893 -1.891 . . . . 83.12 105.893 -176.54 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 167' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.77 -177.58 3.2 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 CA-C-N 118.794 0.605 . . . . 87.84 112.398 174.093 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -66.97 137.04 94.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 C-N-CA 120.08 -0.648 . . . . 88.01 109.903 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 169' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.242 0.678 0 C-N-CA 120.526 0.817 . . . . 99.41 112.687 177.14 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ' DA' . . . . . 0.55 ' H8 ' H5'' ' C' ' 1' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.401 -2.32 0 C3'-C2'-C1' 104.934 1.595 . . . . 134.04 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.536 1.843 0 O4'-C1'-N19 109.538 2.172 . . . . 113.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.603 -0.301 0 O3'-P-O5' 102.949 -0.553 . . . . 98.69 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ' DC' . . . . . 0.516 ' OP2' ' HD3' ' B' ' 117' ' ' ARG . . . . . . . . 0 P--O3' 1.599 -0.628 0 O4'-C1'-C2' 106.988 0.807 . . . . 79.95 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ' DT' . . . . . 0.647 ' H6 ' " H5'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.534 0.908 0 O4'-C4'-C3' 103.167 -2.433 . . . . 79.76 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.567 " H5'" " H1'" ' C' ' 5' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.386 -3.349 0 C5'-C4'-C3' 117.068 1.578 . . . . 75.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ' DT' . . . . . 0.459 H2'' ' C8 ' ' C' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.399 -2.576 0 P-O3'-C3' 123.305 3.004 . . . . 81.36 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' ' DG' . . . . . 0.459 ' C8 ' H2'' ' C' ' 7' ' ' ' DT' . . . . . . . . 1 O5'--C5' 1.374 -4.101 0 P-O5'-C5' 118.466 -1.521 . . . . 84.54 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.413 -1.711 0 O4'-C1'-N19 106.794 -1.258 . . . . 78.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.388 -3.238 0 C1'-O4'-C4' 107.615 -1.489 . . . . 86.68 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.373 -4.446 0 C3'-C2'-C1' 99.81 -2.065 . . . . 94.92 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ' DA' . . . . . 0.425 ' C2 ' ' N2 ' ' D' ' 6' ' ' ' DG' . . . . . . . . 0 P--O3' 1.602 -0.392 0 O3'-P-O5' 102.896 -0.581 . . . . 93.71 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ' DG' . . . . . 0.55 " H1'" " H5'" ' C' ' 14' ' ' ' DC' . . . . . . . . 0 P--O3' 1.601 -0.538 0 C3'-C2'-C1' 101.888 -0.58 . . . . 91.01 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ' DC' . . . . . 0.55 " H5'" " H1'" ' C' ' 13' ' ' ' DG' . . . . . . . . 0 P--OP1 1.444 -2.413 0 C4'-C3'-O3' 103.192 -3.231 . . . . 104.61 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ' DG' . . . . . 0.495 ' N2 ' ' O2 ' ' D' ' 2' ' ' ' DC' . . . . . . . . 1 P--O3' 1.538 -5.752 0 P-O5'-C5' 117.757 -1.965 . . . . 100.99 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.511 -1.683 0 C4'-C3'-C2' 100.985 -2.215 . . . . 138.62 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' ' DC' . . . . . 0.495 ' O2 ' ' N2 ' ' C' ' 15' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.408 -2.02 0 C3'-C2'-C1' 100.85 -1.321 . . . . 130.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.379 -3.971 0 C3'-C2'-C1' 99.03 -2.621 . . . . 131.43 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.408 -2.014 0 OP1-P-OP2 121.846 1.498 . . . . 103.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.524 0.579 0 C3'-C2'-C1' 105.406 1.933 . . . . 88.22 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ' DG' . . . . . 0.425 ' N2 ' ' C2 ' ' C' ' 12' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.514 -0.506 0 C4'-C3'-C2' 104.324 1.124 . . . . 71.5 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ' DG' . . . . . 0.433 ' N7 ' ' HD2' ' B' ' 122' ' ' LYS . . . . . . . . 0 O5'--C5' 1.393 -2.911 0 O4'-C1'-C2' 104.463 -1.488 . . . . 58.4 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.375 -4.337 0 P-O5'-C5' 117.17 -2.331 . . . . 57.78 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.387 -3.37 0 OP1-P-OP2 123.551 2.634 . . . . 66.02 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.402 -2.263 0 C3'-C2'-C1' 97.731 -3.549 . . . . 93.35 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 1 O3'--C3' 1.377 -4.116 1 OP1-P-OP2 126.297 4.464 . . . . 91.05 . . . . . . . . . . 2 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.397 -2.592 0 C1'-O4'-C4' 107.356 -1.675 . . . . 103.88 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.395 -2.832 0 OP1-P-OP2 123.012 2.275 . . . . 118.17 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.516 -1.233 0 P-O5'-C5' 118.737 -1.352 . . . . 117.83 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.412 -1.781 0 O4'-C1'-N19 108.816 1.27 . . . . 136.64 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' VAL . . . . . . . . . . . . . 66.2 t . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 109.459 -0.571 . . . . 132.74 109.459 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' MET . . . . . 0.447 ' HG2' ' N ' ' B' ' 111' ' ' GLU . 8.7 ttt -84.09 157.22 21.83 Favored 'General case' 0 C--O 1.237 0.411 0 C-N-CA 118.833 -1.147 . . . . 132.98 110.526 177.167 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' GLU . . . . . 0.447 ' N ' ' HG2' ' B' ' 110' ' ' MET . 1.2 mm-40 -117.53 143.71 45.81 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.229 -0.896 . . . . 120.25 111.725 -170.617 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ASP . . . . . . . . . . . . . 43.8 p30 -130.44 14.99 5.53 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 124.73 1.212 . . . . 81.45 111.424 -178.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.0 12.33 66.15 Favored Glycine 0 N--CA 1.447 -0.574 0 N-CA-C 116.255 1.262 . . . . 100.56 116.255 171.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -128.74 168.07 16.36 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 118.56 1.18 . . . . 85.11 109.266 -179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ASN . . . . . . . . . . . . . 26.0 m120 -107.92 116.11 31.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.399 -0.818 . . . . 74.52 110.361 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' TRP . . . . . 0.546 ' HB3' ' HB3' ' B' ' 134' ' ' TYR . 36.5 m95 -115.75 140.12 49.51 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 109.053 -0.721 . . . . 73.03 109.053 -176.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ARG . . . . . 0.516 ' HD3' ' OP2' ' C' ' 4' ' ' ' DC' . 24.9 ttp180 -109.55 138.85 45.32 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.299 -1.0 . . . . 93.88 108.299 170.458 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' LYS . . . . . . . . . . . . . 25.1 tttt -88.05 123.4 32.7 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 110.223 -0.288 . . . . 63.78 110.223 -175.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' TYR . . . . . . . . . . . . . 48.3 p90 -115.59 7.46 14.83 Favored 'General case' 0 CA--C 1.518 -0.283 0 C-N-CA 119.373 -0.931 . . . . 56.91 112.948 -176.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLY . . . . . . . . . . . . . . . 177.44 171.67 41.17 Favored Glycine 0 N--CA 1.443 -0.875 0 N-CA-C 109.521 -1.431 . . . . 55.64 109.521 170.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -157.43 138.06 13.07 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.313 -0.995 . . . . 84.08 108.313 173.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' LYS . . . . . 0.433 ' HD2' ' N7 ' ' D' ' 7' ' ' ' DG' . 8.0 mttm -146.53 145.52 30.18 Favored 'General case' 0 CA--C 1.517 -0.306 0 O-C-N 123.509 0.506 . . . . 60.25 110.505 -168.721 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 7.0 mp -86.21 136.48 33.17 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.679 -0.692 . . . . 79.01 109.498 172.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' VAL . . . . . . . . . . . . . 18.9 m -135.95 169.63 20.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.764 0.793 . . . . 76.68 110.145 -172.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 47.34 53.24 11.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.615 -1.175 . . . . 85.81 109.739 175.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLY . . . . . . . . . . . . . . . 58.68 58.5 14.26 Favored Glycine 0 N--CA 1.444 -0.777 0 CA-C-N 114.875 -1.057 . . . . 93.01 114.698 179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 127' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 52.8 21.74 2.06 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.783 0.66 . . . . 105.23 112.783 175.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 128' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -85.1 -52.42 5.96 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 119.166 -1.014 . . . . 126.13 110.606 -179.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 129' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -111.86 162.19 15.55 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.516 0.674 . . . . 98.4 109.585 174.79 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 130' ' ' VAL . . . . . . . . . . . . . 1.6 p -124.9 134.98 65.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.119 -1.067 . . . . 62.62 108.119 174.463 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 131' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -112.83 134.66 54.24 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.882 0.873 . . . . 65.84 109.468 -168.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 132' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.42 136.42 53.02 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.568 -0.901 . . . . 64.35 108.568 -179.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 133' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -113.78 121.28 43.57 Favored 'General case' 0 C--O 1.233 0.205 0 C-N-CA 123.649 0.78 . . . . 58.38 110.435 -175.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 134' ' ' TYR . . . . . 0.546 ' HB3' ' HB3' ' B' ' 116' ' ' TRP . 65.0 m-85 -121.32 152.01 39.43 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.434 0.694 . . . . 67.38 111.142 177.719 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 135' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -130.1 155.96 45.32 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.254 -0.647 . . . . 64.16 109.254 168.94 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 136' ' ' CYS . . . . . . . . . . . . . 38.9 t -70.09 137.9 51.57 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-O 122.0 0.905 . . . . 63.89 111.443 -176.083 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 137' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.55 -18.57 54.48 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.629 -1.168 . . . . 73.73 112.699 -172.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 138' ' ' HIS . . . . . . . . . . . . . 61.7 t-80 -69.91 139.61 88.25 Favored Pre-proline 0 N--CA 1.451 -0.414 0 N-CA-C 109.978 -0.379 . . . . 84.62 109.978 -175.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 139' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -59.8 142.38 98.53 Favored 'Trans proline' 0 C--N 1.329 -0.487 0 C-N-CA 120.699 0.933 . . . . 76.92 113.418 -175.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 140' ' ' ASN . . . . . . . . . . . . . 5.1 m120 66.54 -3.27 0.89 Allowed 'General case' 0 CA--C 1.517 -0.323 0 C-N-CA 124.347 1.059 . . . . 79.52 113.625 179.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 141' ' ' CYS . . . . . 0.521 ' SG ' ' HA ' ' B' ' 164' ' ' HIS . 45.5 t -80.61 119.88 23.82 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 120.412 -0.515 . . . . 59.95 110.233 -174.801 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 142' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -90.4 7.66 37.51 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.559 0.948 . . . . 76.01 113.559 -176.001 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 143' ' ' ALA . . . . . . . . . . . . . . . -71.38 135.22 47.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 118.674 0.67 . . . . 58.7 110.276 -177.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 144' ' ' LYS . . . . . . . . . . . . . 24.0 mttp -130.78 146.48 52.25 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.143 -0.688 . . . . 68.06 109.143 175.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 145' ' ' LYS . . . . . . . . . . . . . 43.3 pttt -127.86 157.71 39.73 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.992 0.901 . . . . 67.92 109.208 166.676 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 146' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -131.65 152.36 50.91 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 107.234 -1.395 . . . . 58.76 107.234 169.615 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 147' ' ' LEU . . . . . . . . . . . . . 3.9 pp -144.17 150.08 37.47 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 108.266 -1.013 . . . . 71.52 108.266 177.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 148' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -134.48 116.21 14.85 Favored 'General case' 0 N--CA 1.446 -0.674 0 N-CA-C 107.351 -1.351 . . . . 77.87 107.351 -152.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 149' ' ' ARG . . . . . . . . . . . . . 11.0 mtp85 -105.45 147.85 27.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.273 0.559 . . . . 112.1 110.241 -170.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 150' ' ' SER . . . . . . . . . . . . . 41.1 t -73.22 169.37 17.21 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.984 -1.007 . . . . 106.39 110.244 174.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 151' ' ' ALA . . . . . . . . . . . . . . . -56.15 -35.96 67.76 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-N 115.306 -0.861 . . . . 91.85 111.182 177.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 152' ' ' GLY . . . . . . . . . . . . . . . -85.8 27.29 5.45 Favored Glycine 0 C--N 1.335 0.488 0 N-CA-C 115.074 0.789 . . . . 114.06 115.074 176.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 153' ' ' GLY . . . . . . . . . . . . . . . 69.87 -9.08 3.0 Favored Glycine 0 C--O 1.241 0.531 0 N-CA-C 115.836 1.094 . . . . 97.75 115.836 179.288 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 154' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -69.9 141.1 53.19 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 118.515 1.157 . . . . 121.7 110.268 178.455 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 155' ' ' VAL . . . . . . . . . . . . . 54.6 t -85.81 122.23 38.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 C-N-CA 123.054 0.542 . . . . 68.35 110.089 -175.898 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 156' ' ' VAL . . . . . . . . . . . . . 52.2 t -84.41 -70.5 0.47 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.422 0 C-N-CA 120.444 -0.502 . . . . 78.85 111.068 179.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 157' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -122.4 172.12 8.57 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 122.353 1.073 . . . . 71.87 110.815 -178.452 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 158' ' ' THR . . . . . . . . . . . . . 26.5 m -141.79 132.77 26.0 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 107.078 -1.453 . . . . 63.57 107.078 173.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 159' ' ' VAL . . . . . . . . . . . . . 6.8 t -121.83 129.11 75.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 107.48 -1.304 . . . . 46.95 107.48 -172.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 160' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -114.34 132.41 56.2 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 108.877 -0.786 . . . . 65.88 108.877 179.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 161' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -118.07 134.04 55.35 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.014 -1.106 . . . . 64.15 108.014 178.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 162' ' ' GLY . . . . . . . . . . . . . . . 71.78 -174.65 42.51 Favored Glycine 0 CA--C 1.524 0.626 0 CA-C-O 122.861 1.256 . . . . 76.48 114.222 173.883 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 163' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -136.25 153.26 51.25 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.056 -1.072 . . . . 114.52 108.43 -179.395 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 164' ' ' HIS . . . . . 0.521 ' HA ' ' SG ' ' B' ' 141' ' ' CYS . 39.0 m-70 -77.84 153.55 32.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.08 -0.648 . . . . 66.51 110.678 -177.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 165' ' ' ASP . . . . . . . . . . . . . 29.3 p-10 -92.62 1.67 57.13 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 119.362 -0.935 . . . . 94.93 111.403 174.227 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 166' ' ' HIS . . . . . 0.511 ' CD2' ' HB3' ' B' ' 164' ' ' HIS . 11.7 p80 -128.44 160.37 62.75 Favored Pre-proline 0 C--N 1.311 -1.089 0 N-CA-C 105.893 -1.891 . . . . 83.12 105.893 -176.54 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 167' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -83.77 -177.58 3.2 Favored 'Trans proline' 0 C--N 1.305 -1.751 0 CA-C-N 118.794 0.605 . . . . 87.84 112.398 174.093 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 168' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -66.97 137.04 94.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 C-N-CA 120.08 -0.648 . . . . 88.01 109.903 -178.51 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 169' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo . . . . . 0 C--O 1.242 0.678 0 C-N-CA 120.526 0.817 . . . . 99.41 112.687 177.14 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_