data_7jsa_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 7jsa _Structure_validation_residue.Date_analyzed 2020-11-28 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 ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.527 0.439 0 O5'-C5'-C4' 111.752 1.108 . . . . 90.090000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.409 -0.827 0 C1'-O4'-C4' 107.519 -1.558 . . . . 90.659999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.586 -1.758 0 C3'-C2'-C1' 105.08 1.7 . . . . 79.870000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.411 -0.694 0 O4'-C1'-C2' 104.401 -1.545 . . . . 88.120000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.684 0 C2'-C3'-O3' 114.002 1.26 . . . . 90.609999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.422 -0.658 0 N19-C1'-C2' 116.436 1.397 . . . . 98.359999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.58 -2.216 0 O4'-C1'-C2' 104.18 -1.745 . . . . 106.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.586 -1.721 0 N19-C1'-C2' 116.743 1.59 . . . . 112.06 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.595 -1.009 0 C4'-C3'-C2' 104.822 1.622 . . . . 111.94 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.588 -1.598 0 C4'-C3'-C2' 104.382 1.182 . . . . 118.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.286 0 C5'-C4'-C3' 112.284 -1.611 . . . . 68.109999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.632 2.102 0 C3'-C2'-C1' 99.989 -1.936 . . . . 73.109999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.577 -2.493 0 C3'-C2'-C1' 105.63 2.093 . . . . 71.730000000000004 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.585 -1.834 0 N19-C1'-C2' 118.192 2.495 . . . . 77.040000000000006 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.407 -1.031 0 C1'-O4'-C4' 106.61 -2.207 . . . . 83.209999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.537 0.881 0 C2'-C3'-O3' 115.176 1.695 . . . . 89.180000000000007 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.586 -0.652 0 C3'-C2'-C1' 99.534 -2.262 . . . . 94.569999999999993 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.591 -1.306 0 C3'-C2'-C1' 99.717 -2.131 . . . . 96.819999999999993 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.587 -1.694 0 C3'-C2'-C1' 105.166 1.761 . . . . 104.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.589 -1.516 0 C4'-C3'-C2' 104.362 1.162 . . . . 120.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 22' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo . . . . . 0 CA--C 1.549 1.268 0 N-CA-C 114.337 0.86 . . . . 93.450000000000003 114.337 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.91 2.62 5.61 Favored Glycine 0 C--O 1.266 2.125 0 C-N-CA 125.75 1.643 . . . . 84.370000000000005 110.006 -161.552 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.71 123.54 26.31 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.505 1.522 . . . . 81.219999999999999 108.363 -179.138 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 25' ' ' ARG . . . . . . . . . . . . . . . -95.08 173.7 7.44 Favored 'General case' 0 C--O 1.252 1.184 0 N-CA-C 105.945 -1.872 . . . . 72.659999999999997 105.945 161.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 161.65 28.83 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.115 0.966 . . . . 81.780000000000001 108.511 176.147 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.72 115.44 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.862 -0.792 . . . . 82.590000000000003 108.862 -178.033 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.91 148.55 51.8 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 125.385 1.474 . . . . 75.390000000000001 109.435 173.854 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 29' ' ' LEU . . . . . . . . . . . . . 58.0 tp -68.36 -39.81 81.69 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 116.791 -1.576 . . . . 73.230000000000004 110.443 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 30' ' ' TRP . . . . . . . . . . . . . 30.1 p-90 -71.87 -30.38 65.35 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 120.306 1.412 . . . . 95.109999999999999 110.741 -178.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 31' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -55.09 -54.46 42.81 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.742 -1.207 . . . . 80.549999999999997 107.742 166.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 32' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -60.87 -39.38 88.98 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.728 1.611 . . . . 83.260000000000005 110.856 -175.06 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.66 -48.2 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 107.439 -1.319 . . . . 79.810000000000002 107.439 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.13 -46.09 85.66 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 117.558 -1.21 . . . . 87.230000000000004 109.394 -178.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -42.76 -48.22 5.59 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 117.626 -1.178 . . . . 123.11 109.606 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 36' ' ' LEU . . . . . . . . . . . . . 38.9 mt -73.69 -35.56 65.18 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 124.378 1.049 . . . . 98.150000000000006 110.229 -178.101 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 37' ' ' LEU . . . . . . . . . . . . . 8.8 tp -80.79 -14.73 57.82 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 117.41 -1.281 . . . . 98.650000000000006 110.976 -167.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -106.39 39.91 1.72 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.233 1.013 . . . . 117.47 108.9 175.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -149.27 114.93 5.61 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 117.876 -1.059 . . . . 115.42 108.618 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 40' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -64.15 -23.67 67.4 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.599 1.187 . . . . 137.94999999999999 109.978 -174.138 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.89 9.13 0.98 Allowed 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 117.093 -1.432 . . . . 127.78 111.794 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 42' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -133.32 13.96 4.17 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 117.06 -1.448 . . . . 116.88 111.654 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 43' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -63.12 -34.51 77.76 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 117.598 -1.191 . . . . 138.77000000000001 109.926 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.0 -29.79 75.45 Favored Glycine 0 N--CA 1.478 1.443 0 CA-C-O 118.612 -1.105 . . . . 115.92 111.807 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.36 -48.62 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 125.105 1.362 . . . . 114.53 110.044 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 tt -152.25 139.67 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 123.979 0.912 . . . . 104.77 109.924 -174.683 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.27 163.4 40.19 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.903 0.881 . . . . 98.810000000000002 110.863 -175.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 48' ' ' TRP . . . . . . . . . . . . . 85.6 m95 -73.94 145.38 44.75 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.8 1.24 . . . . 108.17 108.465 169.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -154.27 164.08 39.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 124.414 1.071 . . . . 120.29000000000001 109.358 175.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.16 -132.52 52.6 Favored Glycine 0 N--CA 1.474 1.193 0 O-C-N 125.081 1.488 . . . . 141.31 112.199 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.35 -174.77 0.06 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 126.163 1.785 . . . . 142.37 110.814 -177.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 52' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -82.14 121.85 27.12 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.306 1.842 . . . . 163.88 109.287 178.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.27 -16.34 61.49 Favored Glycine 0 N--CA 1.474 1.233 0 CA-C-O 117.697 -1.613 . . . . 113.73 112.432 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 54' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -72.12 142.59 49.15 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.441 1.097 . . . . 109.88 110.075 176.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 55' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -143.96 168.18 20.59 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.237 0.96 . . . . 86.349999999999994 109.318 172.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.0 136.74 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 125.288 1.617 . . . . 92.780000000000001 108.187 -178.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 57' ' ' ILE . . . . . . . . . . . . . 46.2 mt -88.43 114.28 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 125.171 1.545 . . . . 107.51000000000001 107.78 165.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 58' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.69 -38.59 38.84 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.895 1.372 . . . . 132.30000000000001 108.846 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 59' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -123.27 82.65 52.1 Favored Pre-proline 0 N--CA 1.492 1.643 0 C-N-CA 125.293 1.437 . . . . 126.90000000000001 109.422 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 60' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_exo -51.43 -42.06 56.91 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.775 2.316 . . . . 101.0 116.356 179.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 61' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -70.56 -35.24 72.99 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 118.17 -0.919 . . . . 112.09999999999999 109.055 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -65.72 -52.27 52.64 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 118.08 -0.962 . . . . 116.55 109.068 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 63' ' ' VAL . . . . . . . . . . . . . 55.8 t -47.07 -58.5 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.243 1.017 . . . . 98.219999999999999 108.407 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.58 -46.9 73.81 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.007 1.442 . . . . 99.040000000000006 109.492 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 65' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -51.32 -49.8 60.65 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 117.767 -1.111 . . . . 113.06999999999999 108.683 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.17 -44.44 92.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 124.64 1.213 . . . . 104.64 109.99 -177.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 67' ' ' TRP . . . . . . . . . . . . . 56.5 t-105 -64.94 -29.36 70.29 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 124.409 1.068 . . . . 96.900000000000006 110.098 177.212 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.02 -45.77 55.06 Favored Glycine 0 N--CA 1.476 1.301 0 CA-C-O 118.488 -1.173 . . . . 106.13 110.854 170.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.94 -46.28 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-O 117.49 -1.243 . . . . 112.98 109.091 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -69.6 -31.14 69.09 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.299 -1.334 . . . . 107.93000000000001 110.752 -172.837 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.84 11.46 33.72 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 117.465 -1.255 . . . . 112.13 111.034 -175.354 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 72' ' ' CYS . . . . . . . . . . . . . 93.4 m 50.94 42.14 27.85 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.984 1.714 . . . . 137.69 110.0 -178.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -124.84 86.25 56.41 Favored Pre-proline 0 N--CA 1.483 1.195 0 O-C-N 124.551 1.157 . . . . 124.66 108.418 -175.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 74' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -68.22 -23.93 38.53 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.365 1.376 . . . . 118.88 113.515 -165.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 75' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -89.86 16.44 8.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 124.271 0.982 . . . . 118.3 110.838 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 76' ' ' MET . . . . . . . . . . . . . 46.3 tpp -70.82 146.95 49.39 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.834 -0.802 . . . . 94.939999999999998 108.834 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -155.88 175.13 14.34 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 125.138 1.375 . . . . 91.799999999999997 108.607 176.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 78' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -65.66 -29.37 69.92 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 118.265 -0.874 . . . . 77.200000000000003 110.98 -172.716 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 79' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.68 -52.51 65.18 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 106.873 -1.529 . . . . 94.239999999999995 106.873 178.919 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 80' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -67.78 -48.56 66.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 124.933 1.396 . . . . 95.719999999999999 109.49 -177.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.81 -48.48 75.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.707 0.803 . . . . 70.370000000000005 109.654 178.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 82' ' ' SER . . . . . . . . . . . . . 58.4 p -60.24 -38.86 84.71 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 117.641 -1.171 . . . . 63.189999999999998 109.619 -177.32 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 83' ' ' ARG . . . . . . . . . . . . . 45.5 tpt85 -56.18 -51.89 66.4 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.636 -1.246 . . . . 66.629999999999995 107.636 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 84' ' ' ALA . . . . . . . . . . . . . . . -45.96 -52.86 10.94 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 125.434 1.709 . . . . 62.490000000000002 108.75 175.429 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 85' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.55 -42.92 88.99 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 117.955 -1.022 . . . . 66.519999999999996 109.574 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -62.29 -31.75 72.39 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 117.902 -1.046 . . . . 77.659999999999997 110.626 -175.95 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 87' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -64.92 -18.33 65.13 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 124.282 0.989 . . . . 72.120000000000005 110.872 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 88' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -79.47 -17.51 54.06 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 117.191 -1.385 . . . . 76.900000000000006 111.23 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 89' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -60.18 -53.97 51.38 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 119.487 1.039 . . . . 85.530000000000001 109.171 -178.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 90' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.34 -39.05 85.74 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 117.676 -1.154 . . . . 112.42 110.198 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 91' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -77.85 -6.88 55.66 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.165 1.386 . . . . 112.77 111.742 -174.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 92' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 62.94 36.72 12.47 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.561 1.544 . . . . 133.03 110.439 172.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 93' ' ' ILE . . . . . . . . . . . . . 71.3 mt -93.38 -50.02 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 C-N-CA 125.018 1.327 . . . . 88.370000000000005 107.86 170.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 94' ' ' LEU . . . . . . . . . . . . . 11.6 mt -124.92 168.19 13.64 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.087 1.755 . . . . 85.200000000000003 110.298 -175.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 95' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -154.56 175.39 13.69 Favored 'General case' 0 C--O 1.248 1.004 0 O-C-N 124.938 1.399 . . . . 102.53 108.002 157.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 96' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -91.16 141.93 28.28 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 124.873 1.358 . . . . 94.420000000000002 109.039 176.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -86.88 112.81 22.12 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 105.893 -1.891 . . . . 100.22 105.893 159.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 98' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -69.45 140.55 54.07 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.669 1.231 . . . . 121.93000000000001 108.398 -176.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.46 -47.45 1.93 Allowed Glycine 0 N--CA 1.473 1.132 0 CA-C-O 118.019 -1.434 . . . . 110.48999999999999 111.959 178.929 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 100' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -82.32 121.94 27.32 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 118.176 -0.916 . . . . 116.63 108.813 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -65.26 142.98 58.1 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.479 1.512 . . . . 99.549999999999997 109.631 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 102' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 51.26 31.76 7.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.172 1.389 . . . . 90.450000000000003 110.887 173.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 103' ' ' THR . . . . . . . . . . . . . 25.0 m -121.58 97.32 5.45 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 124.134 0.896 . . . . 88.909999999999997 108.867 -173.353 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 104' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -101.84 172.83 6.7 Favored 'General case' 0 C--O 1.252 1.209 0 O-C-N 125.418 1.699 . . . . 80.840000000000003 108.073 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 105' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -154.63 123.91 6.41 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.347 1.029 . . . . 101.43000000000001 110.818 -174.638 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -68.25 148.67 50.48 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 125.685 1.865 . . . . 86.590000000000003 110.148 -177.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -100.54 81.17 2.29 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.204 1.402 . . . . 115.23 108.685 -175.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 108' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -96.92 61.97 1.84 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 124.893 1.371 . . . . 112.11 109.481 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' J' J ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 124.812 2.244 . . . . 117.18000000000001 111.311 178.692 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.527 0.439 0 O5'-C5'-C4' 111.752 1.108 . . . . 90.09 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.409 -0.827 0 C1'-O4'-C4' 107.519 -1.558 . . . . 90.66 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.586 -1.758 0 C3'-C2'-C1' 105.08 1.7 . . . . 79.87 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.411 -0.694 0 O4'-C1'-C2' 104.401 -1.545 . . . . 88.12 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.684 0 C2'-C3'-O3' 114.002 1.26 . . . . 90.61 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.422 -0.658 0 N19-C1'-C2' 116.436 1.397 . . . . 98.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.58 -2.216 0 O4'-C1'-C2' 104.18 -1.745 . . . . 106.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.586 -1.721 0 N19-C1'-C2' 116.743 1.59 . . . . 112.06 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ' DT' . . . . . 0.456 H2'' ' C8 ' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 P--O3' 1.595 -1.009 0 C4'-C3'-C2' 104.822 1.622 . . . . 111.94 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ' DG' . . . . . 0.456 ' C8 ' H2'' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 P--O3' 1.588 -1.598 0 C4'-C3'-C2' 104.382 1.182 . . . . 118.36 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.286 0 C5'-C4'-C3' 112.284 -1.611 . . . . 68.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.632 2.102 0 C3'-C2'-C1' 99.989 -1.936 . . . . 73.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 16' ' ' ' DC' . . . . . 0.403 ' OP2' ' HG3' ' J' ' 28' ' ' GLN . . . . . . . . 0 P--O3' 1.577 -2.493 0 C3'-C2'-C1' 105.63 2.093 . . . . 71.73 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.585 -1.834 0 N19-C1'-C2' 118.192 2.495 . . . . 77.04 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.407 -1.031 0 C1'-O4'-C4' 106.61 -2.207 . . . . 83.21 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.537 0.881 0 C2'-C3'-O3' 115.176 1.695 . . . . 89.18 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.586 -0.652 0 C3'-C2'-C1' 99.534 -2.262 . . . . 94.57 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.591 -1.306 0 C3'-C2'-C1' 99.717 -2.131 . . . . 96.82 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.587 -1.694 0 C3'-C2'-C1' 105.166 1.761 . . . . 104.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.589 -1.516 0 C4'-C3'-C2' 104.362 1.162 . . . . 120.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 22' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo . . . . . 0 CA--C 1.549 1.268 0 N-CA-C 114.337 0.86 . . . . 93.45 114.337 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.91 2.62 5.61 Favored Glycine 0 C--O 1.266 2.125 0 C-N-CA 125.75 1.643 . . . . 84.37 110.006 -161.552 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.71 123.54 26.31 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.505 1.522 . . . . 81.22 108.363 -179.138 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 25' ' ' ARG . . . . . . . . . . . . . . . -95.08 173.7 7.44 Favored 'General case' 0 C--O 1.252 1.184 0 N-CA-C 105.945 -1.872 . . . . 72.66 105.945 161.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 161.65 28.83 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.115 0.966 . . . . 81.78 108.511 176.147 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.72 115.44 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.862 -0.792 . . . . 82.59 108.862 -178.033 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 28' ' ' GLN . . . . . 0.405 ' HG2' ' NE1' ' J' ' 30' ' ' TRP . 0.0 OUTLIER -66.91 148.55 51.8 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 125.385 1.474 . . . . 75.39 109.435 173.854 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' J' J ' 29' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' J' ' 67' ' ' TRP . 58.0 tp -68.36 -39.81 81.69 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 116.791 -1.576 . . . . 73.23 110.443 179.993 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 30' ' ' TRP . . . . . 0.405 ' NE1' ' HG2' ' J' ' 28' ' ' GLN . 30.1 p-90 -71.87 -30.38 65.35 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 120.306 1.412 . . . . 95.11 110.741 -178.507 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 31' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -55.09 -54.46 42.81 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.742 -1.207 . . . . 80.55 107.742 166.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 32' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -60.87 -39.38 88.98 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.728 1.611 . . . . 83.26 110.856 -175.06 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.66 -48.2 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 107.439 -1.319 . . . . 79.81 107.439 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.13 -46.09 85.66 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 117.558 -1.21 . . . . 87.23 109.394 -178.686 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -42.76 -48.22 5.59 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 117.626 -1.178 . . . . 123.11 109.606 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 36' ' ' LEU . . . . . . . . . . . . . 38.9 mt -73.69 -35.56 65.18 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 124.378 1.049 . . . . 98.15 110.229 -178.101 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 37' ' ' LEU . . . . . 0.479 HD23 ' CZ2' ' J' ' 48' ' ' TRP . 8.8 tp -80.79 -14.73 57.82 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 117.41 -1.281 . . . . 98.65 110.976 -167.014 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -106.39 39.91 1.72 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.233 1.013 . . . . 117.47 108.9 175.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -149.27 114.93 5.61 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 117.876 -1.059 . . . . 115.42 108.618 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 40' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -64.15 -23.67 67.4 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.599 1.187 . . . . 137.95 109.978 -174.138 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.89 9.13 0.98 Allowed 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 117.093 -1.432 . . . . 127.78 111.794 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 42' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -133.32 13.96 4.17 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 117.06 -1.448 . . . . 116.88 111.654 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 43' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -63.12 -34.51 77.76 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 117.598 -1.191 . . . . 138.77 109.926 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.0 -29.79 75.45 Favored Glycine 0 N--CA 1.478 1.443 0 CA-C-O 118.612 -1.105 . . . . 115.92 111.807 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.36 -48.62 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 125.105 1.362 . . . . 114.53 110.044 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 tt -152.25 139.67 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 123.979 0.912 . . . . 104.77 109.924 -174.683 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.27 163.4 40.19 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.903 0.881 . . . . 98.81 110.863 -175.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 48' ' ' TRP . . . . . 0.479 ' CZ2' HD23 ' J' ' 37' ' ' LEU . 85.6 m95 -73.94 145.38 44.75 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.8 1.24 . . . . 108.17 108.465 169.941 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -154.27 164.08 39.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 124.414 1.071 . . . . 120.29 109.358 175.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.16 -132.52 52.6 Favored Glycine 0 N--CA 1.474 1.193 0 O-C-N 125.081 1.488 . . . . 141.31 112.199 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.35 -174.77 0.06 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 126.163 1.785 . . . . 142.37 110.814 -177.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 52' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -82.14 121.85 27.12 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.306 1.842 . . . . 163.88 109.287 178.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.27 -16.34 61.49 Favored Glycine 0 N--CA 1.474 1.233 0 CA-C-O 117.697 -1.613 . . . . 113.73 112.432 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 54' ' ' GLU . . . . . 0.5 ' HG2' ' HB2' ' J' ' 105' ' ' LYS . 22.5 mt-10 -72.12 142.59 49.15 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.441 1.097 . . . . 109.88 110.075 176.563 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 55' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -143.96 168.18 20.59 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.237 0.96 . . . . 86.35 109.318 172.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.0 136.74 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 125.288 1.617 . . . . 92.78 108.187 -178.175 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 57' ' ' ILE . . . . . 0.492 HG21 ' HA ' ' J' ' 60' ' ' PRO . 46.2 mt -88.43 114.28 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 125.171 1.545 . . . . 107.51 107.78 165.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 58' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.69 -38.59 38.84 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.895 1.372 . . . . 132.3 108.846 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 59' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -123.27 82.65 52.1 Favored Pre-proline 0 N--CA 1.492 1.643 0 C-N-CA 125.293 1.437 . . . . 126.9 109.422 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 60' ' ' PRO . . . . . 0.492 ' HA ' HG21 ' J' ' 57' ' ' ILE . 98.2 Cg_exo -51.43 -42.06 56.91 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.775 2.316 . . . . 101.0 116.356 179.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 61' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -70.56 -35.24 72.99 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 118.17 -0.919 . . . . 112.1 109.055 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -65.72 -52.27 52.64 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 118.08 -0.962 . . . . 116.55 109.068 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 63' ' ' VAL . . . . . . . . . . . . . 55.8 t -47.07 -58.5 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.243 1.017 . . . . 98.22 108.407 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.58 -46.9 73.81 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.007 1.442 . . . . 99.04 109.492 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 65' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -51.32 -49.8 60.65 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 117.767 -1.111 . . . . 113.07 108.683 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.17 -44.44 92.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 124.64 1.213 . . . . 104.64 109.99 -177.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 67' ' ' TRP . . . . . 0.451 ' CE2' HD13 ' J' ' 29' ' ' LEU . 56.5 t-105 -64.94 -29.36 70.29 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 124.409 1.068 . . . . 96.9 110.098 177.212 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.02 -45.77 55.06 Favored Glycine 0 N--CA 1.476 1.301 0 CA-C-O 118.488 -1.173 . . . . 106.13 110.854 170.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.94 -46.28 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-O 117.49 -1.243 . . . . 112.98 109.091 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -69.6 -31.14 69.09 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.299 -1.334 . . . . 107.93 110.752 -172.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.84 11.46 33.72 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 117.465 -1.255 . . . . 112.13 111.034 -175.354 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 72' ' ' CYS . . . . . . . . . . . . . 93.4 m 50.94 42.14 27.85 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.984 1.714 . . . . 137.69 110.0 -178.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -124.84 86.25 56.41 Favored Pre-proline 0 N--CA 1.483 1.195 0 O-C-N 124.551 1.157 . . . . 124.66 108.418 -175.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 74' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -68.22 -23.93 38.53 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.365 1.376 . . . . 118.88 113.515 -165.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 75' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -89.86 16.44 8.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 124.271 0.982 . . . . 118.3 110.838 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 76' ' ' MET . . . . . . . . . . . . . 46.3 tpp -70.82 146.95 49.39 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.834 -0.802 . . . . 94.94 108.834 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -155.88 175.13 14.34 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 125.138 1.375 . . . . 91.8 108.607 176.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 78' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -65.66 -29.37 69.92 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 118.265 -0.874 . . . . 77.2 110.98 -172.716 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 79' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.68 -52.51 65.18 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 106.873 -1.529 . . . . 94.24 106.873 178.919 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 80' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -67.78 -48.56 66.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 124.933 1.396 . . . . 95.72 109.49 -177.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 81' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' J' ' 84' ' ' ALA . 7.1 tt -55.81 -48.48 75.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.707 0.803 . . . . 70.37 109.654 178.198 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 82' ' ' SER . . . . . . . . . . . . . 58.4 p -60.24 -38.86 84.71 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 117.641 -1.171 . . . . 63.19 109.619 -177.32 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 83' ' ' ARG . . . . . . . . . . . . . 45.5 tpt85 -56.18 -51.89 66.4 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.636 -1.246 . . . . 66.63 107.636 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 84' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' J' ' 81' ' ' LEU . . . -45.96 -52.86 10.94 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 125.434 1.709 . . . . 62.49 108.75 175.429 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' J' J ' 85' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.55 -42.92 88.99 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 117.955 -1.022 . . . . 66.52 109.574 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -62.29 -31.75 72.39 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 117.902 -1.046 . . . . 77.66 110.626 -175.95 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 87' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -64.92 -18.33 65.13 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 124.282 0.989 . . . . 72.12 110.872 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 88' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -79.47 -17.51 54.06 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 117.191 -1.385 . . . . 76.9 111.23 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 89' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -60.18 -53.97 51.38 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 119.487 1.039 . . . . 85.53 109.171 -178.174 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 90' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.34 -39.05 85.74 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 117.676 -1.154 . . . . 112.42 110.198 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 91' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -77.85 -6.88 55.66 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.165 1.386 . . . . 112.77 111.742 -174.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 92' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 62.94 36.72 12.47 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.561 1.544 . . . . 133.03 110.439 172.611 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 93' ' ' ILE . . . . . . . . . . . . . 71.3 mt -93.38 -50.02 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 C-N-CA 125.018 1.327 . . . . 88.37 107.86 170.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 94' ' ' LEU . . . . . . . . . . . . . 11.6 mt -124.92 168.19 13.64 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.087 1.755 . . . . 85.2 110.298 -175.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 95' ' ' HIS . . . . . . . . . . . . . 10.9 p-80 -154.56 175.39 13.69 Favored 'General case' 0 C--O 1.248 1.004 0 O-C-N 124.938 1.399 . . . . 102.53 108.002 157.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 96' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -91.16 141.93 28.28 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 124.873 1.358 . . . . 94.42 109.039 176.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -86.88 112.81 22.12 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 105.893 -1.891 . . . . 100.22 105.893 159.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 98' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -69.45 140.55 54.07 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.669 1.231 . . . . 121.93 108.398 -176.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.46 -47.45 1.93 Allowed Glycine 0 N--CA 1.473 1.132 0 CA-C-O 118.019 -1.434 . . . . 110.49 111.959 178.929 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 100' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -82.32 121.94 27.32 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 118.176 -0.916 . . . . 116.63 108.813 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -65.26 142.98 58.1 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.479 1.512 . . . . 99.55 109.631 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 102' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 51.26 31.76 7.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.172 1.389 . . . . 90.45 110.887 173.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 103' ' ' THR . . . . . . . . . . . . . 25.0 m -121.58 97.32 5.45 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 124.134 0.896 . . . . 88.91 108.867 -173.353 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 104' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -101.84 172.83 6.7 Favored 'General case' 0 C--O 1.252 1.209 0 O-C-N 125.418 1.699 . . . . 80.84 108.073 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 105' ' ' LYS . . . . . 0.5 ' HB2' ' HG2' ' J' ' 54' ' ' GLU . 0.2 OUTLIER -154.63 123.91 6.41 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.347 1.029 . . . . 101.43 110.818 -174.638 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -68.25 148.67 50.48 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 125.685 1.865 . . . . 86.59 110.148 -177.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -100.54 81.17 2.29 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.204 1.402 . . . . 115.23 108.685 -175.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 108' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -96.92 61.97 1.84 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 124.893 1.371 . . . . 112.11 109.481 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' J' J ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 124.812 2.244 . . . . 117.18 111.311 178.692 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.527 0.439 0 O5'-C5'-C4' 111.752 1.108 . . . . 90.090000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.409 -0.827 0 C1'-O4'-C4' 107.519 -1.558 . . . . 90.659999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.586 -1.758 0 C3'-C2'-C1' 105.08 1.7 . . . . 79.870000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.411 -0.694 0 O4'-C1'-C2' 104.401 -1.545 . . . . 88.120000000000005 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.575 -2.684 0 C2'-C3'-O3' 114.002 1.26 . . . . 90.609999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.422 -0.658 0 N19-C1'-C2' 116.436 1.397 . . . . 98.359999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.58 -2.216 0 O4'-C1'-C2' 104.18 -1.745 . . . . 106.27 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.586 -1.721 0 N19-C1'-C2' 116.743 1.59 . . . . 112.06 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.456 H2'' ' C8 ' ' B' ' 11' ' ' ' DG' . . . . . . . . 0 P--O3' 1.595 -1.009 0 C4'-C3'-C2' 104.822 1.622 . . . . 111.94 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.456 ' C8 ' H2'' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 P--O3' 1.588 -1.598 0 C4'-C3'-C2' 104.382 1.182 . . . . 118.36 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.437 1.286 0 C5'-C4'-C3' 112.284 -1.611 . . . . 68.109999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.632 2.102 0 C3'-C2'-C1' 99.989 -1.936 . . . . 73.109999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' ' DC' . . . . . 0.403 ' OP2' ' HG3' ' J' ' 28' ' ' GLN . . . . . . . . 0 P--O3' 1.577 -2.493 0 C3'-C2'-C1' 105.63 2.093 . . . . 71.730000000000004 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.585 -1.834 0 N19-C1'-C2' 118.192 2.495 . . . . 77.040000000000006 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.407 -1.031 0 C1'-O4'-C4' 106.61 -2.207 . . . . 83.209999999999994 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.537 0.881 0 C2'-C3'-O3' 115.176 1.695 . . . . 89.180000000000007 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.586 -0.652 0 C3'-C2'-C1' 99.534 -2.262 . . . . 94.569999999999993 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.591 -1.306 0 C3'-C2'-C1' 99.717 -2.131 . . . . 96.819999999999993 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.587 -1.694 0 C3'-C2'-C1' 105.166 1.761 . . . . 104.59 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.589 -1.516 0 C4'-C3'-C2' 104.362 1.162 . . . . 120.36 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 22' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo . . . . . 0 CA--C 1.549 1.268 0 N-CA-C 114.337 0.86 . . . . 93.450000000000003 114.337 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' J' J ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.91 2.62 5.61 Favored Glycine 0 C--O 1.266 2.125 0 C-N-CA 125.75 1.643 . . . . 84.370000000000005 110.006 -161.552 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 24' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.71 123.54 26.31 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 125.505 1.522 . . . . 81.219999999999999 108.363 -179.138 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 25' ' ' ARG . . . . . . . . . . . . . . . -95.08 173.7 7.44 Favored 'General case' 0 C--O 1.252 1.184 0 N-CA-C 105.945 -1.872 . . . . 72.659999999999997 105.945 161.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.82 161.65 28.83 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 124.115 0.966 . . . . 81.780000000000001 108.511 176.147 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 27' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -70.72 115.44 10.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 N-CA-C 108.862 -0.792 . . . . 82.590000000000003 108.862 -178.033 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 28' ' ' GLN . . . . . 0.582 ' HB2' ' CD2' ' J' ' 31' ' ' HIS . 0.0 OUTLIER -66.91 148.55 51.8 Favored 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 125.385 1.474 . . . . 75.390000000000001 109.435 173.854 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' J' J ' 29' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' J' ' 67' ' ' TRP . 58.0 tp -68.36 -39.81 81.69 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 116.791 -1.576 . . . . 73.230000000000004 110.443 179.993 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 30' ' ' TRP . . . . . 0.405 ' NE1' ' HG2' ' J' ' 28' ' ' GLN . 30.1 p-90 -71.87 -30.38 65.35 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-N 120.306 1.412 . . . . 95.109999999999999 110.741 -178.507 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 31' ' ' HIS . . . . . 0.582 ' CD2' ' HB2' ' J' ' 28' ' ' GLN . 4.2 m-70 -55.09 -54.46 42.81 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 107.742 -1.207 . . . . 80.549999999999997 107.742 166.037 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 32' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -60.87 -39.38 88.98 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.728 1.611 . . . . 83.260000000000005 110.856 -175.06 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 33' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.66 -48.2 89.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 N-CA-C 107.439 -1.319 . . . . 79.810000000000002 107.439 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 81.0 mt -64.13 -46.09 85.66 Favored 'General case' 0 N--CA 1.487 1.402 0 CA-C-O 117.558 -1.21 . . . . 87.230000000000004 109.394 -178.686 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 35' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -42.76 -48.22 5.59 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 117.626 -1.178 . . . . 123.11 109.606 174.693 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 36' ' ' LEU . . . . . . . . . . . . . 38.9 mt -73.69 -35.56 65.18 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 124.378 1.049 . . . . 98.150000000000006 110.229 -178.101 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 37' ' ' LEU . . . . . 0.479 HD23 ' CZ2' ' J' ' 48' ' ' TRP . 8.8 tp -80.79 -14.73 57.82 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-O 117.41 -1.281 . . . . 98.650000000000006 110.976 -167.014 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 38' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -106.39 39.91 1.72 Allowed 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 124.233 1.013 . . . . 117.47 108.9 175.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 39' ' ' LYS . . . . . . . . . . . . . 56.1 mtpt -149.27 114.93 5.61 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-O 117.876 -1.059 . . . . 115.42 108.618 179.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 40' ' ' GLU . . . . . . . . . . . . . 82.0 mt-10 -64.15 -23.67 67.4 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.599 1.187 . . . . 137.94999999999999 109.978 -174.138 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -71.89 9.13 0.98 Allowed 'General case' 0 N--CA 1.489 1.485 0 CA-C-O 117.093 -1.432 . . . . 127.78 111.794 178.738 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 42' ' ' TYR . . . . . . . . . . . . . 46.8 m-85 -133.32 13.96 4.17 Favored 'General case' 0 N--CA 1.488 1.468 0 CA-C-O 117.06 -1.448 . . . . 116.88 111.654 176.221 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 43' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -63.12 -34.51 77.76 Favored 'General case' 0 N--CA 1.489 1.506 0 CA-C-O 117.598 -1.191 . . . . 138.77000000000001 109.926 -178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.0 -29.79 75.45 Favored Glycine 0 N--CA 1.478 1.443 0 CA-C-O 118.612 -1.105 . . . . 115.92 111.807 178.286 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -94.36 -48.62 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 C-N-CA 125.105 1.362 . . . . 114.53 110.044 -175.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 tt -152.25 139.67 13.5 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.857 0 C-N-CA 123.979 0.912 . . . . 104.77 109.924 -174.683 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.27 163.4 40.19 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.903 0.881 . . . . 98.810000000000002 110.863 -175.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 48' ' ' TRP . . . . . 0.479 ' CZ2' HD23 ' J' ' 37' ' ' LEU . 85.6 m95 -73.94 145.38 44.75 Favored 'General case' 0 N--CA 1.486 1.366 0 C-N-CA 124.8 1.24 . . . . 108.17 108.465 169.941 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -154.27 164.08 39.13 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 124.414 1.071 . . . . 120.29000000000001 109.358 175.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 50' ' ' GLY . . . . . . . . . . . . . . . 57.16 -132.52 52.6 Favored Glycine 0 N--CA 1.474 1.193 0 O-C-N 125.081 1.488 . . . . 141.31 112.199 176.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 51' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.35 -174.77 0.06 Allowed 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 126.163 1.785 . . . . 142.37 110.814 -177.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 52' ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -82.14 121.85 27.12 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 126.306 1.842 . . . . 163.88 109.287 178.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 53' ' ' GLY . . . . . . . . . . . . . . . 95.27 -16.34 61.49 Favored Glycine 0 N--CA 1.474 1.233 0 CA-C-O 117.697 -1.613 . . . . 113.73 112.432 178.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 54' ' ' GLU . . . . . 0.5 ' HG2' ' HB2' ' J' ' 105' ' ' LYS . 22.5 mt-10 -72.12 142.59 49.15 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 124.441 1.097 . . . . 109.88 110.075 176.563 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 55' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -143.96 168.18 20.59 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.237 0.96 . . . . 86.349999999999994 109.318 172.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 56' ' ' VAL . . . . . . . . . . . . . 61.5 t -137.0 136.74 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 O-C-N 125.288 1.617 . . . . 92.780000000000001 108.187 -178.175 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 57' ' ' ILE . . . . . 0.492 HG21 ' HA ' ' J' ' 60' ' ' PRO . 46.2 mt -88.43 114.28 26.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 O-C-N 125.171 1.545 . . . . 107.51000000000001 107.78 165.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 58' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -78.69 -38.59 38.84 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 124.895 1.372 . . . . 132.30000000000001 108.846 177.86 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 59' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -123.27 82.65 52.1 Favored Pre-proline 0 N--CA 1.492 1.643 0 C-N-CA 125.293 1.437 . . . . 126.90000000000001 109.422 -179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 60' ' ' PRO . . . . . 0.492 ' HA ' HG21 ' J' ' 57' ' ' ILE . 98.2 Cg_exo -51.43 -42.06 56.91 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 122.775 2.316 . . . . 101.0 116.356 179.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 61' ' ' ASP . . . . . . . . . . . . . 77.9 m-20 -70.56 -35.24 72.99 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 118.17 -0.919 . . . . 112.09999999999999 109.055 -174.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 62' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -65.72 -52.27 52.64 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-O 118.08 -0.962 . . . . 116.55 109.068 179.348 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 63' ' ' VAL . . . . . . . . . . . . . 55.8 t -47.07 -58.5 0.85 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 C-N-CA 124.243 1.017 . . . . 98.219999999999999 108.407 179.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 64' ' ' ALA . . . . . . . . . . . . . . . -54.58 -46.9 73.81 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.007 1.442 . . . . 99.040000000000006 109.492 -177.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 65' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -51.32 -49.8 60.65 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 117.767 -1.111 . . . . 113.06999999999999 108.683 179.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 66' ' ' LEU . . . . . . . . . . . . . 87.9 mt -64.17 -44.44 92.05 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 124.64 1.213 . . . . 104.64 109.99 -177.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 67' ' ' TRP . . . . . 0.451 ' CE2' HD13 ' J' ' 29' ' ' LEU . 56.5 t-105 -64.94 -29.36 70.29 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 124.409 1.068 . . . . 96.900000000000006 110.098 177.212 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 68' ' ' GLY . . . . . . . . . . . . . . . -70.02 -45.77 55.06 Favored Glycine 0 N--CA 1.476 1.301 0 CA-C-O 118.488 -1.173 . . . . 106.13 110.854 170.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 t -57.94 -46.28 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 CA-C-O 117.49 -1.243 . . . . 112.98 109.091 176.66 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 70' ' ' ARG . . . . . . . . . . . . . 23.3 tpp85 -69.6 -31.14 69.09 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 117.299 -1.334 . . . . 107.93000000000001 110.752 -172.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 71' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.84 11.46 33.72 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 117.465 -1.255 . . . . 112.13 111.034 -175.354 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 72' ' ' CYS . . . . . . . . . . . . . 93.4 m 50.94 42.14 27.85 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.984 1.714 . . . . 137.69 110.0 -178.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -124.84 86.25 56.41 Favored Pre-proline 0 N--CA 1.483 1.195 0 O-C-N 124.551 1.157 . . . . 124.66 108.418 -175.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 74' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -68.22 -23.93 38.53 Favored 'Trans proline' 0 C--N 1.353 0.769 0 C-N-CA 121.365 1.376 . . . . 118.88 113.515 -165.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 75' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -89.86 16.44 8.12 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 124.271 0.982 . . . . 118.3 110.838 -174.247 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 76' ' ' MET . . . . . . . . . . . . . 46.3 tpp -70.82 146.95 49.39 Favored 'General case' 0 N--CA 1.484 1.259 0 N-CA-C 108.834 -0.802 . . . . 94.939999999999998 108.834 178.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -155.88 175.13 14.34 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 125.138 1.375 . . . . 91.799999999999997 108.607 176.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 78' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -65.66 -29.37 69.92 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 118.265 -0.874 . . . . 77.200000000000003 110.98 -172.716 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 79' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -59.68 -52.51 65.18 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 106.873 -1.529 . . . . 94.239999999999995 106.873 178.919 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 80' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -67.78 -48.56 66.01 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 124.933 1.396 . . . . 95.719999999999999 109.49 -177.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 81' ' ' LEU . . . . . 0.458 ' O ' ' HB3' ' J' ' 84' ' ' ALA . 7.1 tt -55.81 -48.48 75.33 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.707 0.803 . . . . 70.370000000000005 109.654 178.198 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 82' ' ' SER . . . . . . . . . . . . . 58.4 p -60.24 -38.86 84.71 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 117.641 -1.171 . . . . 63.189999999999998 109.619 -177.32 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 83' ' ' ARG . . . . . . . . . . . . . 45.5 tpt85 -56.18 -51.89 66.4 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 107.636 -1.246 . . . . 66.629999999999995 107.636 177.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 84' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' J' ' 81' ' ' LEU . . . -45.96 -52.86 10.94 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 125.434 1.709 . . . . 62.490000000000002 108.75 175.429 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' J' J ' 85' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.55 -42.92 88.99 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 117.955 -1.022 . . . . 66.519999999999996 109.574 -179.749 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 86' ' ' ARG . . . . . . . . . . . . . 13.8 mtt180 -62.29 -31.75 72.39 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 117.902 -1.046 . . . . 77.659999999999997 110.626 -175.95 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 87' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -64.92 -18.33 65.13 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 124.282 0.989 . . . . 72.120000000000005 110.872 176.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 88' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -79.47 -17.51 54.06 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-O 117.191 -1.385 . . . . 76.900000000000006 111.23 178.082 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 89' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -60.18 -53.97 51.38 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-N 119.487 1.039 . . . . 85.530000000000001 109.171 -178.174 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 90' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.34 -39.05 85.74 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 117.676 -1.154 . . . . 112.42 110.198 179.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 91' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -77.85 -6.88 55.66 Favored 'General case' 0 N--CA 1.491 1.618 0 C-N-CA 125.165 1.386 . . . . 112.77 111.742 -174.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 92' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 62.94 36.72 12.47 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 125.561 1.544 . . . . 133.03 110.439 172.611 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 93' ' ' ILE . . . . . . . . . . . . . 71.3 mt -93.38 -50.02 12.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 C-N-CA 125.018 1.327 . . . . 88.370000000000005 107.86 170.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 94' ' ' LEU . . . . . . . . . . . . . 11.6 mt -124.92 168.19 13.64 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.087 1.755 . . . . 85.200000000000003 110.298 -175.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 95' ' ' HIS . . . . . . . . . . . . . 31.4 p80 -154.56 175.39 13.69 Favored 'General case' 0 C--O 1.248 1.004 0 O-C-N 124.938 1.399 . . . . 102.53 108.002 157.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 96' ' ' LYS . . . . . . . . . . . . . 6.8 mmmt -91.16 141.93 28.28 Favored 'General case' 0 N--CA 1.486 1.353 0 O-C-N 124.873 1.358 . . . . 94.420000000000002 109.039 176.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 97' ' ' THR . . . . . . . . . . . . . 7.6 p -86.88 112.81 22.12 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 105.893 -1.891 . . . . 100.22 105.893 159.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 98' ' ' LYS . . . . . . . . . . . . . 85.5 mttt -69.45 140.55 54.07 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.669 1.231 . . . . 121.93000000000001 108.398 -176.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.46 -47.45 1.93 Allowed Glycine 0 N--CA 1.473 1.132 0 CA-C-O 118.019 -1.434 . . . . 110.48999999999999 111.959 178.929 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 100' ' ' LYS . . . . . . . . . . . . . 80.9 mttt -82.32 121.94 27.32 Favored 'General case' 0 N--CA 1.486 1.331 0 CA-C-O 118.176 -0.916 . . . . 116.63 108.813 179.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 101' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -65.26 142.98 58.1 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.479 1.512 . . . . 99.549999999999997 109.631 177.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 102' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 51.26 31.76 7.33 Favored 'General case' 0 N--CA 1.485 1.323 0 C-N-CA 125.172 1.389 . . . . 90.450000000000003 110.887 173.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 103' ' ' THR . . . . . . . . . . . . . 25.0 m -121.58 97.32 5.45 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 124.134 0.896 . . . . 88.909999999999997 108.867 -173.353 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 104' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -101.84 172.83 6.7 Favored 'General case' 0 C--O 1.252 1.209 0 O-C-N 125.418 1.699 . . . . 80.840000000000003 108.073 173.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 105' ' ' LYS . . . . . 0.5 ' HB2' ' HG2' ' J' ' 54' ' ' GLU . 0.2 OUTLIER -154.63 123.91 6.41 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.347 1.029 . . . . 101.43000000000001 110.818 -174.638 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' J' J ' 106' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -68.25 148.67 50.48 Favored 'General case' 0 N--CA 1.486 1.34 0 O-C-N 125.685 1.865 . . . . 86.590000000000003 110.148 -177.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 107' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -100.54 81.17 2.29 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.204 1.402 . . . . 115.23 108.685 -175.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 108' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -96.92 61.97 1.84 Allowed 'General case' 0 N--CA 1.485 1.297 0 O-C-N 124.893 1.371 . . . . 112.11 109.481 -177.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' J' J ' 109' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 . . . . . 0 N--CA 1.489 1.499 0 CA-C-O 124.812 2.244 . . . . 117.18000000000001 111.311 178.692 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_