data_1skn_residue 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 1skn _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.476 2.743 1 O4'-C1'-N19 111.686 4.858 . . . . 100.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ' DG' . . . . . 0.406 ' C2 ' ' C6 ' ' A' ' 3' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.358 -5.643 1 C3'-C2'-C1' 96.108 -4.709 . . . . 100.0 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' ' DA' . . . . . 0.559 ' N1 ' ' N3 ' ' B' ' 15' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.553 2.265 0 P-O5'-C5' 116.596 -2.69 . . . . 90.56 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.481 3.884 1 P-O3'-C3' 132.753 10.878 . . . . 75.34 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ' DA' . . . . . 0.476 ' C2 ' ' C2 ' ' B' ' 14' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.539 2.108 6 O4'-C4'-C3' 98.066 -7.534 . . . . 70.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ' DA' . . . . . 0.402 ' N6 ' ' O4 ' ' B' ' 12' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.376 -4.194 1 O5'-C5'-C4' 104.28 -4.229 . . . . 78.33 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ' DT' . . . . . 0.708 ' N3 ' ' N1 ' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.016 2 P-O3'-C3' 125.957 5.214 . . . . 65.96 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ' DG' . . . . . 0.688 ' O6 ' ' NH2' ' P' ' 519' ' ' ARG . . . . . . . . 0 P--O5' 1.557 -3.573 3 P-O5'-C5' 111.557 -5.839 . . . . 51.7 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.407 -2.073 1 O3'-P-O5' 95.414 -4.519 . . . . 56.2 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ' DC' . . . . . 0.626 ' N4 ' ' O6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.375 -3.458 1 O4'-C1'-N19 104.348 -4.315 . . . . 68.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ' DA' . . . . . 0.432 ' N1 ' ' N3 ' ' B' ' 7' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.51 -1.841 2 P-O3'-C3' 128.778 7.565 . . . . 82.72 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ' DT' . . . . . 0.539 ' C4 ' ' N4 ' ' A' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.546 2.811 0 O4'-C4'-C3' 102.838 -2.762 . . . . 96.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ' DC' . . . . . 0.539 ' N4 ' ' C4 ' ' A' ' 12' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.468 2.814 0 P-O3'-C3' 124.372 3.893 . . . . 100.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ' DC' . . . . . 0.605 ' O2 ' ' N2 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.395 -2.738 1 O4'-C1'-N19 111.913 5.141 . . . . 96.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ' DC' . . . . . 0.598 ' N4 ' ' O6 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 P--O5' 1.622 2.86 1 O4'-C1'-N19 114.047 7.809 . . . . 100.0 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ' DC' . . . . . 0.472 ' C6 ' " C5'" ' B' ' 1' ' ' ' DC' . . . . . . . . 1 O3'--C3' 1.377 -4.13 1 O4'-C1'-N19 112.439 5.798 . . . . 73.05 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.565 -3.534 1 P-O3'-C3' 106.63 -10.892 . . . . 81.05 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ' DG' . . . . . 0.598 ' O6 ' ' N4 ' ' A' ' 15' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.4 -2.353 1 P-O3'-C3' 127.453 6.461 . . . . 72.46 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.605 ' N2 ' ' O2 ' ' A' ' 14' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.386 -3.483 2 O4'-C1'-N19 114.184 7.98 . . . . 51.88 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.382 -2.955 1 O3'-P-O5' 96.276 -4.065 . . . . 55.36 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.535 ' N1 ' ' N3 ' ' A' ' 12' ' ' ' DT' . . . . . . . . 1 O5'--C5' 1.366 -4.599 0 P-O5'-C5' 116.906 -2.496 . . . . 69.01 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ' DT' . . . . . 0.659 ' OP2' ' NH2' ' P' ' 521' ' ' ARG . . . . . . . . 0 C3'--C2' 1.497 -2.141 1 C3'-C2'-C1' 94.138 -6.116 . . . . 81.59 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.626 ' O6 ' ' N4 ' ' A' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.385 -3.42 2 P-O3'-C3' 126.022 5.269 . . . . 91.18 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ' DA' . . . . . 0.449 ' C6 ' ' C6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.554 2.368 3 C4'-C3'-C2' 97.268 -5.932 . . . . 100.0 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ' DC' . . . . . 0.404 ' N3 ' ' N1 ' ' A' ' 8' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 C3'-C2'-C1' 93.718 -6.415 . . . . 95.72 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ' DA' . . . . . 0.708 ' N1 ' ' N3 ' ' A' ' 7' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.382 -3.763 0 O5'-C5'-C4' 107.361 -2.028 . . . . 86.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ' DT' . . . . . 0.402 ' O4 ' ' N6 ' ' A' ' 6' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.488 4.397 1 O4'-C1'-N19 103.012 -5.985 . . . . 82.24 . . . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ' DT' . . . . . 0.403 ' N3 ' ' N1 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.401 -2.299 4 P-O3'-C3' 127.458 6.465 . . . . 70.64 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ' DG' . . . . . 0.476 ' C2 ' ' C2 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.503 -2.47 2 P-O5'-C5' 110.379 -6.576 . . . . 75.01 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ' DT' . . . . . 0.559 ' N3 ' ' N1 ' ' A' ' 3' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.412 -1.483 2 O4'-C1'-N19 101.279 -8.152 . . . . 83.11 . . . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 119.603 -0.554 . . . . 100.0 113.849 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 457' ' ' ARG . . . . . . . . . . . . 0.283 0.0 OUTLIER 171.73 148.2 0.04 OUTLIER 'General case' 0 C--N 1.362 1.11 0 N-CA-C 119.144 3.016 . . . . 100.0 119.144 177.774 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' P' P ' 458' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -96.11 150.91 19.98 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 109.351 -3.568 . . . . 100.0 117.461 178.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 459' ' ' SER . . . . . 0.562 ' OG ' ' N ' ' P' ' 462' ' ' GLU . 11.3 p -71.41 154.47 41.52 Favored 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 111.929 -2.396 . . . . 47.51 107.983 177.926 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 460' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -64.87 -39.97 94.39 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 116.926 -1.909 . . . . 85.51 109.277 174.708 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 461' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -61.7 -34.73 76.29 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 105.949 -1.871 . . . . 46.88 105.949 -179.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 462' ' ' GLU . . . . . 0.562 ' N ' ' OG ' ' P' ' 459' ' ' SER . 9.0 mm-40 -67.11 -36.67 82.43 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 124.688 2.185 . . . . 71.02 111.717 172.834 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 463' ' ' GLN . . . . . 0.422 ' O ' ' N ' ' P' ' 467' ' ' ASP . 11.0 tp-100 -66.95 -37.8 84.97 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 119.895 -1.753 . . . . 70.96 109.299 -179.986 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 464' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.98 -57.38 13.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 127.19 2.196 . . . . 42.83 111.659 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 465' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.33 69.11 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 113.043 -1.89 . . . . 31.66 108.385 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 466' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.49 -51.37 20.37 Favored 'General case' 0 C--O 1.198 -1.633 0 CA-C-N 113.071 -1.877 . . . . 65.05 111.18 179.879 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 467' ' ' ASP . . . . . 0.422 ' N ' ' O ' ' P' ' 463' ' ' GLN . 95.8 m-20 -54.28 -45.92 72.61 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 118.529 -1.268 . . . . 55.19 110.254 176.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 468' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -80.54 10.28 4.95 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 118.953 2.945 . . . . 59.81 118.953 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 469' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 48.51 45.81 20.95 Favored 'General case' 0 CA--C 1.571 1.773 0 N-CA-C 114.885 1.439 . . . . 100.0 114.885 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 470' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.78 136.2 92.42 Favored Pre-proline 0 N--CA 1.451 -0.407 0 O-C-N 119.121 -2.237 . . . . 36.68 110.903 176.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 471' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -66.37 -3.88 9.66 Favored 'Trans proline' 0 C--N 1.303 -1.823 0 N-CA-C 116.409 1.657 . . . . 37.96 116.409 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 472' ' ' VAL . . . . . . . . . . . . . 8.8 m -135.1 170.39 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.676 0 CA-C-O 113.278 -3.249 . . . . 37.24 106.81 -179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 473' ' ' SER . . . . . 0.537 ' O ' ' N ' ' P' ' 477' ' ' ILE . 10.0 p -95.34 157.77 15.75 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 129.005 3.941 . . . . 34.13 111.967 176.433 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 474' ' ' ALA . . . . . . . . . . . . . . . -53.79 -49.49 68.17 Favored 'General case' 0 CA--C 1.477 -1.857 0 CA-C-N 111.919 -2.401 . . . . 32.08 107.973 -178.686 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 475' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -56.77 -50.59 71.83 Favored 'General case' 0 N--CA 1.444 -0.739 0 O-C-N 126.07 2.107 . . . . 52.33 110.332 173.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 476' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -56.42 -50.52 71.41 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.543 -1.973 . . . . 38.96 114.066 177.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 477' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' P' ' 473' ' ' SER . 18.7 mt -49.47 -58.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 111.599 -2.546 . . . . 42.85 112.444 178.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 478' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.6 -25.74 67.53 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 118.284 2.698 . . . . 39.2 118.284 178.888 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 479' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -106.59 -19.82 13.55 Favored 'General case' 0 CA--C 1.477 -1.853 0 C-N-CA 119.038 -1.065 . . . . 100.0 111.745 -176.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 480' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.7 149.44 30.67 Favored 'General case' 0 N--CA 1.423 -1.793 0 C-N-CA 115.834 -2.347 . . . . 45.4 109.081 -178.979 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 481' ' ' SER . . . . . 0.502 ' O ' ' N ' ' P' ' 484' ' ' GLU . 11.7 p -70.07 152.03 44.83 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 125.935 2.779 . . . . 40.94 111.809 175.653 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 482' ' ' LEU . . . . . . . . . . . . . 9.1 tp -45.2 -50.9 11.18 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 110.985 -2.825 . . . . 46.98 112.009 175.286 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 483' ' ' SER . . . . . . . . . . . . . 42.5 p -69.31 -15.8 63.41 Favored 'General case' 0 C--O 1.169 -3.147 0 C-N-CA 112.274 -3.77 . . . . 52.02 109.957 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 484' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' P' ' 481' ' ' SER . 0.7 OUTLIER -75.28 -48.71 21.98 Favored 'General case' 0 N--CA 1.393 -3.287 0 C-N-CA 114.301 -2.96 . . . . 43.88 107.319 -177.586 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' P' P ' 485' ' ' LEU . . . . . . . . . . . . . 16.7 tp -54.46 -37.98 65.85 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 127.218 3.389 . . . . 38.62 112.143 -176.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 486' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.33 -35.42 80.93 Favored 'General case' 0 N--CA 1.403 -2.782 0 CA-C-N 110.299 -3.137 . . . . 100.0 109.197 177.902 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 487' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -64.98 -44.72 88.41 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 113.611 -3.236 . . . . 62.25 108.07 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 488' ' ' VAL . . . . . . . . . . . . . 42.4 t -50.75 -43.86 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.155 0 CA-C-O 126.75 3.167 . . . . 39.68 111.971 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 489' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.49 -32.24 60.48 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-N 110.779 -2.918 . . . . 31.55 115.135 -175.202 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 490' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -20.04 59.73 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 120.81 1.641 . . . . 100.0 112.49 177.784 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 491' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -104.99 -17.42 14.51 Favored 'General case' 0 CA--C 1.481 -1.686 0 N-CA-C 118.76 2.874 . . . . 74.56 118.76 -174.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 492' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -99.64 153.06 19.37 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 125.55 1.781 . . . . 61.21 113.38 -175.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 493' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.71 110.92 22.36 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 104.746 -2.316 . . . . 48.11 104.746 173.413 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 494' ' ' LEU . . . . . 0.552 ' O ' ' C ' ' P' ' 495' ' ' SER . 73.2 mt -135.97 109.09 7.71 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 113.894 -1.503 . . . . 41.63 113.667 -173.41 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 495' ' ' SER . . . . . 0.552 ' C ' ' O ' ' P' ' 494' ' ' LEU . 4.9 p -48.78 162.54 0.1 Allowed 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 114.562 -2.855 . . . . 49.4 108.342 175.484 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 496' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -56.58 -48.52 77.2 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 123.599 1.666 . . . . 63.17 110.635 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 497' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -50.34 -57.66 7.43 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.052 -1.462 . . . . 62.23 107.052 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 498' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' P' ' 495' ' ' SER . 92.8 mt-30 -51.14 -41.79 60.33 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 112.673 0.619 . . . . 39.57 112.673 176.034 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 499' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -61.83 -42.23 98.77 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-O 124.537 2.113 . . . . 48.3 114.694 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 500' ' ' GLN . . . . . . . . . . . . 0.271 36.7 tt0 -63.01 -54.81 32.37 Favored 'General case' 0 C--N 1.282 -2.333 0 CA-C-O 124.73 2.205 . . . . 84.11 107.072 -178.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 501' ' ' LEU . . . . . . . . . . . . . 5.3 tp -42.57 -58.05 2.43 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 111.175 -2.738 . . . . 42.78 110.531 177.64 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 502' ' ' ILE . . . . . . . . . . . . . 6.8 mt -50.12 -34.3 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.651 0 C-N-CA 119.046 -1.062 . . . . 32.05 113.758 -178.789 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 503' ' ' ARG . . . . . 0.575 ' NH2' ' OP2' ' B' ' 4' ' ' ' DG' . 0.0 OUTLIER -74.84 -38.79 61.92 Favored 'General case' 0 CA--C 1.494 -1.208 0 C-N-CA 119.683 -0.807 . . . . 100.0 112.552 179.831 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' P' P ' 504' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -66.38 -40.3 89.61 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 116.888 -1.925 . . . . 88.53 110.697 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 505' ' ' ILE . . . . . . . . . . . . . 3.6 mt -57.47 -43.16 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.117 0 N-CA-C 114.116 1.154 . . . . 39.86 114.116 177.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 506' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -66.76 -44.1 82.3 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-N 114.741 -1.118 . . . . 39.16 110.173 -177.18 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 507' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' P' ' 118' ' ' HOH . 1.7 ttp180 -48.49 -62.67 1.38 Allowed 'General case' 0 C--O 1.251 1.132 0 CA-C-O 124.544 2.116 . . . . 100.0 109.848 174.849 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 508' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -56.71 -49.05 76.32 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 124.51 2.1 . . . . 64.72 110.827 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 509' ' ' GLY . . . . . . . . . . . . . . . -53.2 -45.6 63.76 Favored Glycine 0 N--CA 1.41 -3.038 0 CA-C-N 110.749 -2.932 . . . . 41.39 110.857 -176.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 510' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -77.17 -32.8 56.44 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 123.95 1.833 . . . . 50.18 111.15 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 511' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' P' ' 512' ' ' LYS . 19.2 t-20 -71.09 -24.77 62.37 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-O 125.441 2.543 . . . . 47.28 112.031 179.415 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 512' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' P' ' 511' ' ' ASN . 19.7 pttt -75.84 -34.77 60.09 Favored 'General case' 0 C--N 1.276 -2.609 2 C-N-CA 105.619 -6.432 . . . . 64.08 108.663 -174.893 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' P' P ' 513' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.87 -35.36 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.495 0 CA-C-O 126.279 2.942 . . . . 47.47 109.482 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 514' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' P' ' 515' ' ' ALA . . . -70.46 -49.28 50.25 Favored 'General case' 0 N--CA 1.42 -1.958 0 C-N-CA 113.37 -3.332 . . . . 53.76 107.919 -175.473 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 515' ' ' ALA . . . . . 0.506 ' O ' ' O ' ' P' ' 516' ' ' ARG . . . -40.63 -53.75 2.69 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.235 -1.765 . . . . 49.03 106.235 178.712 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 516' ' ' ARG . . . . . 0.634 ' O ' ' C ' ' P' ' 517' ' ' THR . 0.0 OUTLIER -35.58 -99.56 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.337 1.065 . . . . 83.12 111.56 177.535 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' P' P ' 517' ' ' THR . . . . . 0.654 ' OG1' ' NH1' ' P' ' 521' ' ' ARG . 2.1 p -15.06 -73.77 0.01 OUTLIER 'General case' 0 C--O 1.257 1.448 0 CA-C-N 114.202 -1.363 . . . . 73.32 111.57 177.764 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 518' ' ' CYS . . . . . 0.632 ' C ' ' O ' ' P' ' 517' ' ' THR . 7.3 t -17.21 -69.58 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 124.363 2.03 . . . . 66.36 111.272 178.98 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 519' ' ' ARG . . . . . 0.688 ' NH2' ' O6 ' ' A' ' 8' ' ' ' DG' . 71.9 mtt180 -52.69 -44.08 66.04 Favored 'General case' 0 CA--C 1.477 -1.85 0 CA-C-N 109.761 -3.381 . . . . 84.01 113.435 -179.959 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 520' ' ' GLN . . . . . 0.65 ' O ' ' N ' ' P' ' 524' ' ' ASP . 5.0 tp60 -60.95 -54.27 47.06 Favored 'General case' 0 N--CA 1.428 -1.56 0 O-C-N 125.515 1.76 . . . . 100.0 106.457 176.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 521' ' ' ARG . . . . . 0.659 ' NH2' ' OP2' ' B' ' 7' ' ' ' DT' . 10.4 mtm-85 -56.16 -41.68 75.82 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.939 1.399 . . . . 100.0 110.004 176.89 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 522' ' ' ARG . . . . . 0.593 ' N ' ' O ' ' P' ' 518' ' ' CYS . 0.3 OUTLIER -54.27 -63.29 1.2 Allowed 'General case' 0 CA--C 1.482 -1.649 0 CA-C-N 114.928 -1.033 . . . . 100.0 108.534 179.95 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' P' P ' 523' ' ' THR . . . . . 0.451 ' N ' ' O ' ' P' ' 519' ' ' ARG . 57.5 m -66.06 -26.47 67.51 Favored 'General case' 0 N--CA 1.435 -1.187 0 O-C-N 127.8 3.188 . . . . 100.0 115.499 -179.528 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' P' P ' 524' ' ' ASP . . . . . 0.65 ' N ' ' O ' ' P' ' 520' ' ' GLN . 0.3 OUTLIER -77.34 -64.58 1.11 Allowed 'General case' 0 N--CA 1.419 -1.988 0 CA-C-O 123.449 1.595 . . . . 100.0 109.087 178.955 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' P' P ' 525' ' ' ARG . . . . . . . . . . . . . 2.4 mtm-85 -47.32 -39.42 14.78 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 111.049 -2.796 . . . . 100.0 114.533 -179.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 526' ' ' HIS . . . . . 0.673 ' O ' ' N ' ' P' ' 528' ' ' LYS 0.279 0.3 OUTLIER -100.09 -78.99 0.5 Allowed 'General case' 0 CA--C 1.496 -1.127 0 C-N-CA 114.418 -2.913 . . . . 100.0 111.235 177.177 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' P' P ' 527' ' ' ASP . . . . . 0.665 ' C ' ' O ' ' P' ' 526' ' ' HIS . 0.0 OUTLIER -5.14 -61.97 0.0 OUTLIER 'General case' 0 C--O 1.238 0.492 0 CA-C-N 119.43 1.013 . . . . 100.0 110.897 178.367 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' P' P ' 528' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' P' ' 526' ' ' HIS 0.26 0.0 OUTLIER -104.61 -83.54 0.5 Allowed 'General case' 0 C--O 1.242 0.672 0 N-CA-C 116.237 1.94 . . . . 100.0 116.237 179.012 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' P' P ' 529' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 124.218 1.961 . . . . 100.0 109.287 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 16' ' ' LDA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 107' ' ' HOH . . . . . 0.635 ' O ' ' NH1' ' P' ' 519' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 118' ' ' HOH . . . . . 0.417 ' O ' ' NH2' ' P' ' 507' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' P' P ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' P' P ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ' DT' . . . . . 0.435 H2'' ' C8 ' ' A' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.476 2.743 1 O4'-C1'-N19 111.686 4.858 . . . . 100.0 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ' DG' . . . . . 0.435 ' C8 ' H2'' ' A' ' 1' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.358 -5.643 1 C3'-C2'-C1' 96.108 -4.709 . . . . 100.0 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 3' ' ' ' DA' . . . . . 0.406 ' C6 ' ' C2 ' ' A' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.553 2.265 0 P-O5'-C5' 116.596 -2.69 . . . . 90.56 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ' DC' . . . . . 0.739 " H1'" " H5'" ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.481 3.884 1 P-O3'-C3' 132.753 10.878 . . . . 75.34 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ' DA' . . . . . 0.739 " H5'" " H1'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.539 2.108 6 O4'-C4'-C3' 98.066 -7.534 . . . . 70.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ' DA' . . . . . 0.537 H2'' " H5'" ' A' ' 7' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.376 -4.194 1 O5'-C5'-C4' 104.28 -4.229 . . . . 78.33 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ' DT' . . . . . 0.63 ' N3 ' ' N1 ' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.016 2 P-O3'-C3' 125.957 5.214 . . . . 65.96 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ' DG' . . . . . 0.688 ' O6 ' ' NH2' ' P' ' 519' ' ' ARG . . . . . . . . 0 P--O5' 1.557 -3.573 3 P-O5'-C5' 111.557 -5.839 . . . . 51.7 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.407 -2.073 1 O3'-P-O5' 95.414 -4.519 . . . . 56.2 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ' DC' . . . . . 0.615 ' N4 ' ' O6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.375 -3.458 1 O4'-C1'-N19 104.348 -4.315 . . . . 68.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.51 -1.841 2 P-O3'-C3' 128.778 7.565 . . . . 82.72 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ' DT' . . . . . 1.089 H2'' " H5'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.546 2.811 0 O4'-C4'-C3' 102.838 -2.762 . . . . 96.86 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ' DC' . . . . . 1.089 " H5'" H2'' ' A' ' 12' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.468 2.814 0 P-O3'-C3' 124.372 3.893 . . . . 100.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ' DC' . . . . . 0.581 " H5'" " H1'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.395 -2.738 1 O4'-C1'-N19 111.913 5.141 . . . . 96.06 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ' DC' . . . . . 0.532 ' N4 ' ' O6 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 P--O5' 1.622 2.86 1 O4'-C1'-N19 114.047 7.809 . . . . 100.0 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ' DC' . . . . . 0.813 H2'' " H5'" ' B' ' 2' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.377 -4.13 1 O4'-C1'-N19 112.439 5.798 . . . . 73.05 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' ' DA' . . . . . 0.813 " H5'" H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 P--O3' 1.565 -3.534 1 P-O3'-C3' 106.63 -10.892 . . . . 81.05 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ' DG' . . . . . 0.635 ' C8 ' " H2'" ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.4 -2.353 1 P-O3'-C3' 127.453 6.461 . . . . 72.46 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ' DG' . . . . . 0.575 ' OP2' ' NH2' ' P' ' 503' ' ' ARG . . . . . . . . 0 O3'--C3' 1.386 -3.483 2 O4'-C1'-N19 114.184 7.98 . . . . 51.88 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.382 -2.955 1 O3'-P-O5' 96.276 -4.065 . . . . 55.36 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ' DA' . . . . . 0.697 H2'' " C5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 1 O5'--C5' 1.366 -4.599 0 P-O5'-C5' 116.906 -2.496 . . . . 69.01 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ' DT' . . . . . 0.697 " C5'" H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.497 -2.141 1 C3'-C2'-C1' 94.138 -6.116 . . . . 81.59 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ' DG' . . . . . 0.698 H2'' " C5'" ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.385 -3.42 2 P-O3'-C3' 126.022 5.269 . . . . 91.18 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ' DA' . . . . . 0.893 " H5'" ' C8 ' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.554 2.368 3 C4'-C3'-C2' 97.268 -5.932 . . . . 100.0 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ' DC' . . . . . 0.479 H2'' ' OP2' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 C3'-C2'-C1' 93.718 -6.415 . . . . 95.72 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ' DA' . . . . . 0.63 ' N1 ' ' N3 ' ' A' ' 7' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.382 -3.763 0 O5'-C5'-C4' 107.361 -2.028 . . . . 86.6 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ' DT' . . . . . 0.643 " H1'" H5'' ' B' ' 13' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.488 4.397 1 O4'-C1'-N19 103.012 -5.985 . . . . 82.24 . . . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ' DT' . . . . . 0.643 H5'' " H1'" ' B' ' 12' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.401 -2.299 4 P-O3'-C3' 127.458 6.465 . . . . 70.64 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ' DG' . . . . . 0.476 ' C2 ' ' C2 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.503 -2.47 2 P-O5'-C5' 110.379 -6.576 . . . . 75.01 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ' DT' . . . . . 0.405 ' O4 ' ' N6 ' ' A' ' 3' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.412 -1.483 2 O4'-C1'-N19 101.279 -8.152 . . . . 83.11 . . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 119.603 -0.554 . . . . 100.0 113.849 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 457' ' ' ARG . . . . . 0.61 ' HD3' ' O ' ' P' ' 458' ' ' GLN 0.283 0.0 OUTLIER 171.73 148.2 0.04 OUTLIER 'General case' 0 C--N 1.362 1.11 0 N-CA-C 119.144 3.016 . . . . 100.0 119.144 177.774 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' P' P ' 458' ' ' GLN . . . . . 0.61 ' O ' ' HD3' ' P' ' 457' ' ' ARG . 31.6 mt-30 -96.11 150.91 19.98 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 109.351 -3.568 . . . . 100.0 117.461 178.742 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 459' ' ' SER . . . . . 0.464 ' OG ' ' HG2' ' P' ' 462' ' ' GLU . 11.3 p -71.41 154.47 41.52 Favored 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 111.929 -2.396 . . . . 47.51 107.983 177.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 460' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -64.87 -39.97 94.39 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 116.926 -1.909 . . . . 85.51 109.277 174.708 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 461' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 108' ' ' HOH . 10.0 m-20 -61.7 -34.73 76.29 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 105.949 -1.871 . . . . 46.88 105.949 -179.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 462' ' ' GLU . . . . . 0.567 ' CD ' ' HB3' ' P' ' 474' ' ' ALA . 9.0 mm-40 -67.11 -36.67 82.43 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 124.688 2.185 . . . . 71.02 111.717 172.834 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 463' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -66.95 -37.8 84.97 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 119.895 -1.753 . . . . 70.96 109.299 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 464' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.98 -57.38 13.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 127.19 2.196 . . . . 42.83 111.659 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 465' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.33 69.11 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 113.043 -1.89 . . . . 31.66 108.385 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 466' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.49 -51.37 20.37 Favored 'General case' 0 C--O 1.198 -1.633 0 CA-C-N 113.071 -1.877 . . . . 65.05 111.18 179.879 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 467' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -54.28 -45.92 72.61 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 118.529 -1.268 . . . . 55.19 110.254 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 468' ' ' ASN . . . . . . . . . . . . . 43.6 m-80 -80.54 10.28 4.95 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 118.953 2.945 . . . . 59.81 118.953 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 469' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 48.51 45.81 20.95 Favored 'General case' 0 CA--C 1.571 1.773 0 N-CA-C 114.885 1.439 . . . . 100.0 114.885 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 470' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.78 136.2 92.42 Favored Pre-proline 0 N--CA 1.451 -0.407 0 O-C-N 119.121 -2.237 . . . . 36.68 110.903 176.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 471' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -66.37 -3.88 9.66 Favored 'Trans proline' 0 C--N 1.303 -1.823 0 N-CA-C 116.409 1.657 . . . . 37.96 116.409 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 472' ' ' VAL . . . . . 0.482 HG23 HG13 ' P' ' 477' ' ' ILE . 8.8 m -135.1 170.39 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.676 0 CA-C-O 113.278 -3.249 . . . . 37.24 106.81 -179.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 473' ' ' SER . . . . . . . . . . . . . 10.0 p -95.34 157.77 15.75 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 129.005 3.941 . . . . 34.13 111.967 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 474' ' ' ALA . . . . . 0.567 ' HB3' ' CD ' ' P' ' 462' ' ' GLU . . . -53.79 -49.49 68.17 Favored 'General case' 0 CA--C 1.477 -1.857 0 CA-C-N 111.919 -2.401 . . . . 32.08 107.973 -178.686 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 475' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -56.77 -50.59 71.83 Favored 'General case' 0 N--CA 1.444 -0.739 0 O-C-N 126.07 2.107 . . . . 52.33 110.332 173.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 476' ' ' GLN . . . . . 0.695 ' O ' ' HB3' ' P' ' 480' ' ' MET . 89.4 mt-30 -56.42 -50.52 71.41 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.543 -1.973 . . . . 38.96 114.066 177.27 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 477' ' ' ILE . . . . . 0.482 HG13 HG23 ' P' ' 472' ' ' VAL . 18.7 mt -49.47 -58.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 111.599 -2.546 . . . . 42.85 112.444 178.967 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 478' ' ' SER . . . . . 0.684 ' HB2' ' OE2' ' P' ' 479' ' ' GLU . 0.9 OUTLIER -65.6 -25.74 67.53 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 118.284 2.698 . . . . 39.2 118.284 178.888 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' P' P ' 479' ' ' GLU . . . . . 0.684 ' OE2' ' HB2' ' P' ' 478' ' ' SER . 11.1 mm-40 -106.59 -19.82 13.55 Favored 'General case' 0 CA--C 1.477 -1.853 0 C-N-CA 119.038 -1.065 . . . . 100.0 111.745 -176.675 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 480' ' ' MET . . . . . 0.695 ' HB3' ' O ' ' P' ' 476' ' ' GLN . 0.1 OUTLIER -59.7 149.44 30.67 Favored 'General case' 0 N--CA 1.423 -1.793 0 C-N-CA 115.834 -2.347 . . . . 45.4 109.081 -178.979 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' P' P ' 481' ' ' SER . . . . . 0.502 ' O ' ' N ' ' P' ' 484' ' ' GLU . 11.7 p -70.07 152.03 44.83 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 125.935 2.779 . . . . 40.94 111.809 175.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 482' ' ' LEU . . . . . 0.621 ' O ' ' HG3' ' P' ' 486' ' ' GLN . 9.1 tp -45.2 -50.9 11.18 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 110.985 -2.825 . . . . 46.98 112.009 175.286 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 483' ' ' SER . . . . . . . . . . . . . 42.5 p -69.31 -15.8 63.41 Favored 'General case' 0 C--O 1.169 -3.147 0 C-N-CA 112.274 -3.77 . . . . 52.02 109.957 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 484' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' P' ' 481' ' ' SER . 0.7 OUTLIER -75.28 -48.71 21.98 Favored 'General case' 0 N--CA 1.393 -3.287 0 C-N-CA 114.301 -2.96 . . . . 43.88 107.319 -177.586 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' P' P ' 485' ' ' LEU . . . . . 0.403 ' HA ' ' SD ' ' P' ' 480' ' ' MET . 16.7 tp -54.46 -37.98 65.85 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 127.218 3.389 . . . . 38.62 112.143 -176.945 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 486' ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' P' ' 482' ' ' LEU . 81.8 mt-30 -65.33 -35.42 80.93 Favored 'General case' 0 N--CA 1.403 -2.782 0 CA-C-N 110.299 -3.137 . . . . 100.0 109.197 177.902 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 487' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -64.98 -44.72 88.41 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 113.611 -3.236 . . . . 62.25 108.07 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 488' ' ' VAL . . . . . . . . . . . . . 42.4 t -50.75 -43.86 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.155 0 CA-C-O 126.75 3.167 . . . . 39.68 111.971 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 489' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.49 -32.24 60.48 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-N 110.779 -2.918 . . . . 31.55 115.135 -175.202 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 490' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -20.04 59.73 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 120.81 1.641 . . . . 100.0 112.49 177.784 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 491' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -104.99 -17.42 14.51 Favored 'General case' 0 CA--C 1.481 -1.686 0 N-CA-C 118.76 2.874 . . . . 74.56 118.76 -174.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 492' ' ' GLU . . . . . 0.685 ' OE2' HM21 ' P' ' 16' ' ' LDA . 69.6 mm-40 -99.64 153.06 19.37 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 125.55 1.781 . . . . 61.21 113.38 -175.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 493' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.71 110.92 22.36 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 104.746 -2.316 . . . . 48.11 104.746 173.413 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 494' ' ' LEU . . . . . 0.552 ' O ' ' C ' ' P' ' 495' ' ' SER . 73.2 mt -135.97 109.09 7.71 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 113.894 -1.503 . . . . 41.63 113.667 -173.41 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 495' ' ' SER . . . . . 0.552 ' C ' ' O ' ' P' ' 494' ' ' LEU . 4.9 p -48.78 162.54 0.1 Allowed 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 114.562 -2.855 . . . . 49.4 108.342 175.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 496' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -56.58 -48.52 77.2 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 123.599 1.666 . . . . 63.17 110.635 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 497' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -50.34 -57.66 7.43 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.052 -1.462 . . . . 62.23 107.052 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 498' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' P' ' 495' ' ' SER . 92.8 mt-30 -51.14 -41.79 60.33 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 112.673 0.619 . . . . 39.57 112.673 176.034 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 499' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -61.83 -42.23 98.77 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-O 124.537 2.113 . . . . 48.3 114.694 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 500' ' ' GLN . . . . . . . . . . . . 0.271 36.7 tt0 -63.01 -54.81 32.37 Favored 'General case' 0 C--N 1.282 -2.333 0 CA-C-O 124.73 2.205 . . . . 84.11 107.072 -178.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 501' ' ' LEU . . . . . 0.574 ' O ' HG13 ' P' ' 505' ' ' ILE . 5.3 tp -42.57 -58.05 2.43 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 111.175 -2.738 . . . . 42.78 110.531 177.64 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 502' ' ' ILE . . . . . . . . . . . . . 6.8 mt -50.12 -34.3 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.651 0 C-N-CA 119.046 -1.062 . . . . 32.05 113.758 -178.789 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 503' ' ' ARG . . . . . 0.575 ' NH2' ' OP2' ' B' ' 4' ' ' ' DG' . 0.0 OUTLIER -74.84 -38.79 61.92 Favored 'General case' 0 CA--C 1.494 -1.208 0 C-N-CA 119.683 -0.807 . . . . 100.0 112.552 179.831 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' P' P ' 504' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -66.38 -40.3 89.61 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 116.888 -1.925 . . . . 88.53 110.697 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 505' ' ' ILE . . . . . 0.574 HG13 ' O ' ' P' ' 501' ' ' LEU . 3.6 mt -57.47 -43.16 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.117 0 N-CA-C 114.116 1.154 . . . . 39.86 114.116 177.504 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 506' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -66.76 -44.1 82.3 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-N 114.741 -1.118 . . . . 39.16 110.173 -177.18 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 507' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' P' ' 118' ' ' HOH . 1.7 ttp180 -48.49 -62.67 1.38 Allowed 'General case' 0 C--O 1.251 1.132 0 CA-C-O 124.544 2.116 . . . . 100.0 109.848 174.849 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 508' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -56.71 -49.05 76.32 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 124.51 2.1 . . . . 64.72 110.827 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 509' ' ' GLY . . . . . . . . . . . . . . . -53.2 -45.6 63.76 Favored Glycine 0 N--CA 1.41 -3.038 0 CA-C-N 110.749 -2.932 . . . . 41.39 110.857 -176.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 510' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -77.17 -32.8 56.44 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 123.95 1.833 . . . . 50.18 111.15 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 511' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' P' ' 512' ' ' LYS . 19.2 t-20 -71.09 -24.77 62.37 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-O 125.441 2.543 . . . . 47.28 112.031 179.415 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 512' ' ' LYS . . . . . 0.646 ' HG3' ' NH1' ' P' ' 516' ' ' ARG . 19.7 pttt -75.84 -34.77 60.09 Favored 'General case' 0 C--N 1.276 -2.609 2 C-N-CA 105.619 -6.432 . . . . 64.08 108.663 -174.893 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' P' P ' 513' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.87 -35.36 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.495 0 CA-C-O 126.279 2.942 . . . . 47.47 109.482 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 514' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' P' ' 515' ' ' ALA . . . -70.46 -49.28 50.25 Favored 'General case' 0 N--CA 1.42 -1.958 0 C-N-CA 113.37 -3.332 . . . . 53.76 107.919 -175.473 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 515' ' ' ALA . . . . . 0.506 ' O ' ' O ' ' P' ' 516' ' ' ARG . . . -40.63 -53.75 2.69 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.235 -1.765 . . . . 49.03 106.235 178.712 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 516' ' ' ARG . . . . . 0.646 ' NH1' ' HG3' ' P' ' 512' ' ' LYS . 0.0 OUTLIER -35.58 -99.56 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.337 1.065 . . . . 83.12 111.56 177.535 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' P' P ' 517' ' ' THR . . . . . 0.645 ' O ' ' N ' ' P' ' 520' ' ' GLN . 2.1 p -15.06 -73.77 0.01 OUTLIER 'General case' 0 C--O 1.257 1.448 0 CA-C-N 114.202 -1.363 . . . . 73.32 111.57 177.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 518' ' ' CYS . . . . . 0.632 ' C ' ' O ' ' P' ' 517' ' ' THR . 7.3 t -17.21 -69.58 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 124.363 2.03 . . . . 66.36 111.272 178.98 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 519' ' ' ARG . . . . . 0.688 ' NH2' ' O6 ' ' A' ' 8' ' ' ' DG' . 71.9 mtt180 -52.69 -44.08 66.04 Favored 'General case' 0 CA--C 1.477 -1.85 0 CA-C-N 109.761 -3.381 . . . . 84.01 113.435 -179.959 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 520' ' ' GLN . . . . . 0.65 ' O ' ' N ' ' P' ' 524' ' ' ASP . 5.0 tp60 -60.95 -54.27 47.06 Favored 'General case' 0 N--CA 1.428 -1.56 0 O-C-N 125.515 1.76 . . . . 100.0 106.457 176.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 521' ' ' ARG . . . . . 0.634 ' NH2' ' OP2' ' B' ' 7' ' ' ' DT' . 10.4 mtm-85 -56.16 -41.68 75.82 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.939 1.399 . . . . 100.0 110.004 176.89 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 522' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' P' ' 518' ' ' CYS . 0.3 OUTLIER -54.27 -63.29 1.2 Allowed 'General case' 0 CA--C 1.482 -1.649 0 CA-C-N 114.928 -1.033 . . . . 100.0 108.534 179.95 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' P' P ' 523' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' P' ' 527' ' ' ASP . 57.5 m -66.06 -26.47 67.51 Favored 'General case' 0 N--CA 1.435 -1.187 0 O-C-N 127.8 3.188 . . . . 100.0 115.499 -179.528 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 524' ' ' ASP . . . . . 0.65 ' N ' ' O ' ' P' ' 520' ' ' GLN . 0.3 OUTLIER -77.34 -64.58 1.11 Allowed 'General case' 0 N--CA 1.419 -1.988 0 CA-C-O 123.449 1.595 . . . . 100.0 109.087 178.955 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' P' P ' 525' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' P' ' 521' ' ' ARG . 2.4 mtm-85 -47.32 -39.42 14.78 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 111.049 -2.796 . . . . 100.0 114.533 -179.681 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' P' P ' 526' ' ' HIS . . . . . 0.673 ' O ' ' N ' ' P' ' 528' ' ' LYS 0.279 0.3 OUTLIER -100.09 -78.99 0.5 Allowed 'General case' 0 CA--C 1.496 -1.127 0 C-N-CA 114.418 -2.913 . . . . 100.0 111.235 177.177 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' P' P ' 527' ' ' ASP . . . . . 0.665 ' C ' ' O ' ' P' ' 526' ' ' HIS . 0.0 OUTLIER -5.14 -61.97 0.0 OUTLIER 'General case' 0 C--O 1.238 0.492 0 CA-C-N 119.43 1.013 . . . . 100.0 110.897 178.367 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' P' P ' 528' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' P' ' 526' ' ' HIS 0.26 0.0 OUTLIER -104.61 -83.54 0.5 Allowed 'General case' 0 C--O 1.242 0.672 0 N-CA-C 116.237 1.94 . . . . 100.0 116.237 179.012 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' P' P ' 529' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 124.218 1.961 . . . . 100.0 109.287 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 16' ' ' LDA . . . . . 0.685 HM21 ' OE2' ' P' ' 492' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . 0.415 ' O ' ' HB2' ' P' ' 461' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 117' ' ' HOH . . . . . 0.563 ' O ' " H3'" ' A' ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 107' ' ' HOH . . . . . 0.435 ' O ' ' NH1' ' P' ' 519' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 118' ' ' HOH . . . . . 0.417 ' O ' ' NH2' ' P' ' 507' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' P' P ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' P' P ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ' DT' . . . . . 0.435 H2'' ' C8 ' ' A' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.476 2.743 1 O4'-C1'-N19 111.686 4.858 . . . . 100.0 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ' DG' . . . . . 0.435 ' C8 ' H2'' ' A' ' 1' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.358 -5.643 1 C3'-C2'-C1' 96.108 -4.709 . . . . 100.0 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' ' DA' . . . . . 0.406 ' C6 ' ' C2 ' ' A' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.553 2.265 0 P-O5'-C5' 116.596 -2.69 . . . . 90.560000000000002 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ' DC' . . . . . 0.739 " H1'" " H5'" ' A' ' 5' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.481 3.884 1 P-O3'-C3' 132.753 10.878 . . . . 75.340000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ' DA' . . . . . 0.739 " H5'" " H1'" ' A' ' 4' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.539 2.108 6 O4'-C4'-C3' 98.066 -7.534 . . . . 70.060000000000002 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ' DA' . . . . . 0.537 H2'' " H5'" ' A' ' 7' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.376 -4.194 1 O5'-C5'-C4' 104.28 -4.229 . . . . 78.329999999999998 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ' DT' . . . . . 0.63 ' N3 ' ' N1 ' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 P--O5' 1.613 2.016 2 P-O3'-C3' 125.957 5.214 . . . . 65.959999999999994 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ' DG' . . . . . 0.688 ' O6 ' ' NH2' ' P' ' 519' ' ' ARG . . . . . . . . 0 P--O5' 1.557 -3.573 3 P-O5'-C5' 111.557 -5.839 . . . . 51.700000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.407 -2.073 1 O3'-P-O5' 95.414 -4.519 . . . . 56.200000000000003 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ' DC' . . . . . 0.615 ' N4 ' ' O6 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.375 -3.458 1 O4'-C1'-N19 104.348 -4.315 . . . . 68.060000000000002 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.51 -1.841 2 P-O3'-C3' 128.778 7.565 . . . . 82.719999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ' DT' . . . . . 1.089 H2'' " H5'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.546 2.811 0 O4'-C4'-C3' 102.838 -2.762 . . . . 96.859999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ' DC' . . . . . 1.089 " H5'" H2'' ' A' ' 12' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.468 2.814 0 P-O3'-C3' 124.372 3.893 . . . . 100.0 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ' DC' . . . . . 0.581 " H5'" " H1'" ' A' ' 13' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.395 -2.738 1 O4'-C1'-N19 111.913 5.141 . . . . 96.060000000000002 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ' DC' . . . . . 0.532 ' N4 ' ' O6 ' ' B' ' 3' ' ' ' DG' . . . . . . . . 0 P--O5' 1.622 2.86 1 O4'-C1'-N19 114.047 7.809 . . . . 100.0 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ' DC' . . . . . 0.813 H2'' " H5'" ' B' ' 2' ' ' ' DA' . . . . . . . . 1 O3'--C3' 1.377 -4.13 1 O4'-C1'-N19 112.439 5.798 . . . . 73.049999999999997 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.813 " H5'" H2'' ' B' ' 1' ' ' ' DC' . . . . . . . . 0 P--O3' 1.565 -3.534 1 P-O3'-C3' 106.63 -10.892 . . . . 81.049999999999997 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ' DG' . . . . . 0.635 ' C8 ' " H2'" ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.4 -2.353 1 P-O3'-C3' 127.453 6.461 . . . . 72.459999999999994 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.575 ' OP2' ' NH2' ' P' ' 503' ' ' ARG . . . . . . . . 0 O3'--C3' 1.386 -3.483 2 O4'-C1'-N19 114.184 7.98 . . . . 51.880000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.382 -2.955 1 O3'-P-O5' 96.276 -4.065 . . . . 55.359999999999999 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.697 H2'' " C5'" ' B' ' 7' ' ' ' DT' . . . . . . . . 1 O5'--C5' 1.366 -4.599 0 P-O5'-C5' 116.906 -2.496 . . . . 69.010000000000005 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ' DT' . . . . . 0.697 " C5'" H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.497 -2.141 1 C3'-C2'-C1' 94.138 -6.116 . . . . 81.590000000000003 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.698 H2'' " C5'" ' B' ' 9' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.385 -3.42 2 P-O3'-C3' 126.022 5.269 . . . . 91.180000000000007 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ' DA' . . . . . 0.893 " H5'" ' C8 ' ' B' ' 9' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.554 2.368 3 C4'-C3'-C2' 97.268 -5.932 . . . . 100.0 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.479 H2'' ' OP2' ' B' ' 11' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.535 2.995 1 C3'-C2'-C1' 93.718 -6.415 . . . . 95.719999999999999 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ' DA' . . . . . 0.63 ' N1 ' ' N3 ' ' A' ' 7' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.382 -3.763 0 O5'-C5'-C4' 107.361 -2.028 . . . . 86.599999999999994 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ' DT' . . . . . 0.643 " H1'" H5'' ' B' ' 13' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.488 4.397 1 O4'-C1'-N19 103.012 -5.985 . . . . 82.239999999999995 . . . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ' DT' . . . . . 0.643 H5'' " H1'" ' B' ' 12' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.401 -2.299 4 P-O3'-C3' 127.458 6.465 . . . . 70.640000000000001 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ' DG' . . . . . 0.476 ' C2 ' ' C2 ' ' A' ' 5' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.503 -2.47 2 P-O5'-C5' 110.379 -6.576 . . . . 75.010000000000005 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ' DT' . . . . . 0.405 ' O4 ' ' N6 ' ' A' ' 3' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.412 -1.483 2 O4'-C1'-N19 101.279 -8.152 . . . . 83.109999999999999 . . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 456' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.207 0 CA-C-O 119.603 -0.554 . . . . 100.0 113.849 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 457' ' ' ARG . . . . . 0.61 ' HD3' ' O ' ' P' ' 458' ' ' GLN 0.283 0.0 OUTLIER 171.73 148.2 0.04 OUTLIER 'General case' 0 C--N 1.362 1.11 0 N-CA-C 119.144 3.016 . . . . 100.0 119.144 177.774 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' P' P ' 458' ' ' GLN . . . . . 0.61 ' O ' ' HD3' ' P' ' 457' ' ' ARG . 31.6 mt-30 -96.11 150.91 19.98 Favored 'General case' 0 C--O 1.245 0.833 0 CA-C-N 109.351 -3.568 . . . . 100.0 117.461 178.742 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 459' ' ' SER . . . . . 0.464 ' OG ' ' HG2' ' P' ' 462' ' ' GLU . 11.3 p -71.41 154.47 41.52 Favored 'General case' 0 N--CA 1.416 -2.13 0 CA-C-N 111.929 -2.396 . . . . 47.509999999999998 107.983 177.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 460' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -64.87 -39.97 94.39 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 116.926 -1.909 . . . . 85.510000000000005 109.277 174.708 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 461' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 108' ' ' HOH . 10.0 m-20 -61.7 -34.73 76.29 Favored 'General case' 0 C--O 1.207 -1.172 0 N-CA-C 105.949 -1.871 . . . . 46.880000000000003 105.949 -179.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 462' ' ' GLU . . . . . 0.567 ' CD ' ' HB3' ' P' ' 474' ' ' ALA . 9.0 mm-40 -67.11 -36.67 82.43 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-O 124.688 2.185 . . . . 71.019999999999996 111.717 172.834 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 463' ' ' GLN . . . . . . . . . . . . . 11.0 tp-100 -66.95 -37.8 84.97 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 119.895 -1.753 . . . . 70.959999999999994 109.299 -179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 464' ' ' LEU . . . . . . . . . . . . . 7.1 mt -58.98 -57.38 13.35 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 127.19 2.196 . . . . 42.829999999999998 111.659 -178.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 465' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.33 69.11 Favored 'General case' 0 N--CA 1.434 -1.248 0 CA-C-N 113.043 -1.89 . . . . 31.66 108.385 177.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 466' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.49 -51.37 20.37 Favored 'General case' 0 C--O 1.198 -1.633 0 CA-C-N 113.071 -1.877 . . . . 65.049999999999997 111.18 179.879 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 467' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -54.28 -45.92 72.61 Favored 'General case' 0 C--N 1.298 -1.67 0 C-N-CA 118.529 -1.268 . . . . 55.189999999999998 110.254 176.766 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 468' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -80.54 10.28 4.95 Favored 'General case' 0 C--N 1.3 -1.553 0 N-CA-C 118.953 2.945 . . . . 59.810000000000002 118.953 -177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 469' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 48.51 45.81 20.95 Favored 'General case' 0 CA--C 1.571 1.773 0 N-CA-C 114.885 1.439 . . . . 100.0 114.885 -177.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 470' ' ' LEU . . . . . . . . . . . . . 5.9 mt -67.78 136.2 92.42 Favored Pre-proline 0 N--CA 1.451 -0.407 0 O-C-N 119.121 -2.237 . . . . 36.68 110.903 176.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 471' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -66.37 -3.88 9.66 Favored 'Trans proline' 0 C--N 1.303 -1.823 0 N-CA-C 116.409 1.657 . . . . 37.960000000000001 116.409 -179.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 472' ' ' VAL . . . . . 0.482 HG23 HG13 ' P' ' 477' ' ' ILE . 8.8 m -135.1 170.39 19.52 Favored 'Isoleucine or valine' 0 CA--C 1.455 -2.676 0 CA-C-O 113.278 -3.249 . . . . 37.240000000000002 106.81 -179.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 473' ' ' SER . . . . . . . . . . . . . 10.0 p -95.34 157.77 15.75 Favored 'General case' 0 C--O 1.239 0.515 0 O-C-N 129.005 3.941 . . . . 34.130000000000003 111.967 176.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 474' ' ' ALA . . . . . 0.567 ' HB3' ' CD ' ' P' ' 462' ' ' GLU . . . -53.79 -49.49 68.17 Favored 'General case' 0 CA--C 1.477 -1.857 0 CA-C-N 111.919 -2.401 . . . . 32.079999999999998 107.973 -178.686 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 475' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -56.77 -50.59 71.83 Favored 'General case' 0 N--CA 1.444 -0.739 0 O-C-N 126.07 2.107 . . . . 52.329999999999998 110.332 173.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 476' ' ' GLN . . . . . 0.695 ' O ' ' HB3' ' P' ' 480' ' ' MET . 89.4 mt-30 -56.42 -50.52 71.41 Favored 'General case' 0 CA--C 1.471 -2.081 0 O-C-N 119.543 -1.973 . . . . 38.960000000000001 114.066 177.27 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 477' ' ' ILE . . . . . 0.482 HG13 HG23 ' P' ' 472' ' ' VAL . 18.7 mt -49.47 -58.69 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.468 0 CA-C-N 111.599 -2.546 . . . . 42.850000000000001 112.444 178.967 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 478' ' ' SER . . . . . 0.684 ' HB2' ' OE2' ' P' ' 479' ' ' GLU . 0.9 OUTLIER -65.6 -25.74 67.53 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 118.284 2.698 . . . . 39.200000000000003 118.284 178.888 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' P' P ' 479' ' ' GLU . . . . . 0.684 ' OE2' ' HB2' ' P' ' 478' ' ' SER . 11.1 mm-40 -106.59 -19.82 13.55 Favored 'General case' 0 CA--C 1.477 -1.853 0 C-N-CA 119.038 -1.065 . . . . 100.0 111.745 -176.675 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 480' ' ' MET . . . . . 0.695 ' HB3' ' O ' ' P' ' 476' ' ' GLN . 0.1 OUTLIER -59.7 149.44 30.67 Favored 'General case' 0 N--CA 1.423 -1.793 0 C-N-CA 115.834 -2.347 . . . . 45.399999999999999 109.081 -178.979 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' P' P ' 481' ' ' SER . . . . . 0.502 ' O ' ' N ' ' P' ' 484' ' ' GLU . 11.7 p -70.07 152.03 44.83 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 125.935 2.779 . . . . 40.939999999999998 111.809 175.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 482' ' ' LEU . . . . . 0.621 ' O ' ' HG3' ' P' ' 486' ' ' GLN . 9.1 tp -45.2 -50.9 11.18 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-N 110.985 -2.825 . . . . 46.979999999999997 112.009 175.286 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 483' ' ' SER . . . . . . . . . . . . . 42.5 p -69.31 -15.8 63.41 Favored 'General case' 0 C--O 1.169 -3.147 0 C-N-CA 112.274 -3.77 . . . . 52.020000000000003 109.957 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 484' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' P' ' 481' ' ' SER . 0.7 OUTLIER -75.28 -48.71 21.98 Favored 'General case' 0 N--CA 1.393 -3.287 0 C-N-CA 114.301 -2.96 . . . . 43.880000000000003 107.319 -177.586 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' P' P ' 485' ' ' LEU . . . . . 0.403 ' HA ' ' SD ' ' P' ' 480' ' ' MET . 16.7 tp -54.46 -37.98 65.85 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-O 127.218 3.389 . . . . 38.619999999999997 112.143 -176.945 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 486' ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' P' ' 482' ' ' LEU . 81.8 mt-30 -65.33 -35.42 80.93 Favored 'General case' 0 N--CA 1.403 -2.782 0 CA-C-N 110.299 -3.137 . . . . 100.0 109.197 177.902 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 487' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -64.98 -44.72 88.41 Favored 'General case' 0 CA--C 1.495 -1.137 0 C-N-CA 113.611 -3.236 . . . . 62.25 108.07 177.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 488' ' ' VAL . . . . . . . . . . . . . 42.4 t -50.75 -43.86 25.13 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.155 0 CA-C-O 126.75 3.167 . . . . 39.68 111.971 -178.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 489' ' ' LEU . . . . . . . . . . . . . 94.8 mt -75.49 -32.24 60.48 Favored 'General case' 0 C--N 1.278 -2.541 0 CA-C-N 110.779 -2.918 . . . . 31.550000000000001 115.135 -175.202 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 490' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -75.05 -20.04 59.73 Favored 'General case' 0 C--O 1.209 -1.07 0 CA-C-N 120.81 1.641 . . . . 100.0 112.49 177.784 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 491' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -104.99 -17.42 14.51 Favored 'General case' 0 CA--C 1.481 -1.686 0 N-CA-C 118.76 2.874 . . . . 74.560000000000002 118.76 -174.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 492' ' ' GLU . . . . . 0.685 ' OE2' HM21 ' P' ' 16' ' ' LDA . 69.6 mm-40 -99.64 153.06 19.37 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 125.55 1.781 . . . . 61.210000000000001 113.38 -175.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 493' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.71 110.92 22.36 Favored 'General case' 0 C--O 1.244 0.809 0 N-CA-C 104.746 -2.316 . . . . 48.109999999999999 104.746 173.413 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 494' ' ' LEU . . . . . 0.552 ' O ' ' C ' ' P' ' 495' ' ' SER . 73.2 mt -135.97 109.09 7.71 Favored 'General case' 0 N--CA 1.418 -2.039 0 CA-C-N 113.894 -1.503 . . . . 41.630000000000003 113.667 -173.41 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 495' ' ' SER . . . . . 0.552 ' C ' ' O ' ' P' ' 494' ' ' LEU . 4.9 p -48.78 162.54 0.1 Allowed 'General case' 0 C--N 1.302 -1.475 0 C-N-CA 114.562 -2.855 . . . . 49.399999999999999 108.342 175.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 496' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -56.58 -48.52 77.2 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 123.599 1.666 . . . . 63.170000000000002 110.635 174.019 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 497' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -50.34 -57.66 7.43 Favored 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 107.052 -1.462 . . . . 62.229999999999997 107.052 175.234 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 498' ' ' GLN . . . . . 0.428 ' OE1' ' N ' ' P' ' 495' ' ' SER . 92.8 mt-30 -51.14 -41.79 60.33 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 112.673 0.619 . . . . 39.57 112.673 176.034 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 499' ' ' ARG . . . . . . . . . . . . . 6.4 mtt180 -61.83 -42.23 98.77 Favored 'General case' 0 CA--C 1.489 -1.393 0 CA-C-O 124.537 2.113 . . . . 48.299999999999997 114.694 176.398 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 500' ' ' GLN . . . . . . . . . . . . 0.271 36.7 tt0 -63.01 -54.81 32.37 Favored 'General case' 0 C--N 1.282 -2.333 0 CA-C-O 124.73 2.205 . . . . 84.109999999999999 107.072 -178.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 501' ' ' LEU . . . . . 0.574 ' O ' HG13 ' P' ' 505' ' ' ILE . 5.3 tp -42.57 -58.05 2.43 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 111.175 -2.738 . . . . 42.780000000000001 110.531 177.64 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 502' ' ' ILE . . . . . . . . . . . . . 6.8 mt -50.12 -34.3 10.41 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.651 0 C-N-CA 119.046 -1.062 . . . . 32.049999999999997 113.758 -178.789 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 503' ' ' ARG . . . . . 0.575 ' NH2' ' OP2' ' B' ' 4' ' ' ' DG' . 0.0 OUTLIER -74.84 -38.79 61.92 Favored 'General case' 0 CA--C 1.494 -1.208 0 C-N-CA 119.683 -0.807 . . . . 100.0 112.552 179.831 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' P' P ' 504' ' ' LYS . . . . . . . . . . . . . 28.9 mttm -66.38 -40.3 89.61 Favored 'General case' 0 C--O 1.216 -0.706 0 C-N-CA 116.888 -1.925 . . . . 88.530000000000001 110.697 179.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 505' ' ' ILE . . . . . 0.574 HG13 ' O ' ' P' ' 501' ' ' LEU . 3.6 mt -57.47 -43.16 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.417 -2.117 0 N-CA-C 114.116 1.154 . . . . 39.859999999999999 114.116 177.504 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 506' ' ' ARG . . . . . . . . . . . . . 46.9 ttt85 -66.76 -44.1 82.3 Favored 'General case' 0 C--O 1.253 1.256 0 CA-C-N 114.741 -1.118 . . . . 39.159999999999997 110.173 -177.18 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 507' ' ' ARG . . . . . 0.417 ' NH2' ' O ' ' P' ' 118' ' ' HOH . 1.7 ttp180 -48.49 -62.67 1.38 Allowed 'General case' 0 C--O 1.251 1.132 0 CA-C-O 124.544 2.116 . . . . 100.0 109.848 174.849 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 508' ' ' ARG . . . . . . . . . . . . . 90.9 mtm-85 -56.71 -49.05 76.32 Favored 'General case' 0 CA--C 1.483 -1.622 0 CA-C-O 124.51 2.1 . . . . 64.719999999999999 110.827 -179.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 509' ' ' GLY . . . . . . . . . . . . . . . -53.2 -45.6 63.76 Favored Glycine 0 N--CA 1.41 -3.038 0 CA-C-N 110.749 -2.932 . . . . 41.390000000000001 110.857 -176.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 510' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -77.17 -32.8 56.44 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 123.95 1.833 . . . . 50.18 111.15 -179.45 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 511' ' ' ASN . . . . . 0.409 ' O ' ' C ' ' P' ' 512' ' ' LYS . 19.2 t-20 -71.09 -24.77 62.37 Favored 'General case' 0 N--CA 1.423 -1.782 0 CA-C-O 125.441 2.543 . . . . 47.280000000000001 112.031 179.415 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 512' ' ' LYS . . . . . 0.646 ' HG3' ' NH1' ' P' ' 516' ' ' ARG . 19.7 pttt -75.84 -34.77 60.09 Favored 'General case' 0 C--N 1.276 -2.609 2 C-N-CA 105.619 -6.432 . . . . 64.079999999999998 108.663 -174.893 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' P' P ' 513' ' ' VAL . . . . . . . . . . . . . 2.3 t -57.87 -35.36 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.409 -2.495 0 CA-C-O 126.279 2.942 . . . . 47.469999999999999 109.482 177.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 514' ' ' ALA . . . . . 0.476 ' O ' ' C ' ' P' ' 515' ' ' ALA . . . -70.46 -49.28 50.25 Favored 'General case' 0 N--CA 1.42 -1.958 0 C-N-CA 113.37 -3.332 . . . . 53.759999999999998 107.919 -175.473 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 515' ' ' ALA . . . . . 0.506 ' O ' ' O ' ' P' ' 516' ' ' ARG . . . -40.63 -53.75 2.69 Favored 'General case' 0 CA--C 1.495 -1.148 0 N-CA-C 106.235 -1.765 . . . . 49.030000000000001 106.235 178.712 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 516' ' ' ARG . . . . . 0.646 ' NH1' ' HG3' ' P' ' 512' ' ' LYS . 0.0 OUTLIER -35.58 -99.56 0.0 OUTLIER 'General case' 0 CA--C 1.498 -1.036 0 CA-C-O 122.337 1.065 . . . . 83.120000000000005 111.56 177.535 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' P' P ' 517' ' ' THR . . . . . 0.645 ' O ' ' N ' ' P' ' 520' ' ' GLN . 2.1 p -15.06 -73.77 0.01 OUTLIER 'General case' 0 C--O 1.257 1.448 0 CA-C-N 114.202 -1.363 . . . . 73.319999999999993 111.57 177.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 518' ' ' CYS . . . . . 0.632 ' C ' ' O ' ' P' ' 517' ' ' THR . 7.3 t -17.21 -69.58 0.01 OUTLIER 'General case' 0 N--CA 1.439 -1.02 0 CA-C-O 124.363 2.03 . . . . 66.359999999999999 111.272 178.98 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 519' ' ' ARG . . . . . 0.688 ' NH2' ' O6 ' ' A' ' 8' ' ' ' DG' . 71.9 mtt180 -52.69 -44.08 66.04 Favored 'General case' 0 CA--C 1.477 -1.85 0 CA-C-N 109.761 -3.381 . . . . 84.010000000000005 113.435 -179.959 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 520' ' ' GLN . . . . . 0.65 ' O ' ' N ' ' P' ' 524' ' ' ASP . 5.0 tp60 -60.95 -54.27 47.06 Favored 'General case' 0 N--CA 1.428 -1.56 0 O-C-N 125.515 1.76 . . . . 100.0 106.457 176.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 521' ' ' ARG . . . . . 0.634 ' NH2' ' OP2' ' B' ' 7' ' ' ' DT' . 10.4 mtm-85 -56.16 -41.68 75.82 Favored 'General case' 0 C--N 1.352 0.676 0 O-C-N 124.939 1.399 . . . . 100.0 110.004 176.89 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 522' ' ' ARG . . . . . 0.539 ' N ' ' O ' ' P' ' 518' ' ' CYS . 0.3 OUTLIER -54.27 -63.29 1.2 Allowed 'General case' 0 CA--C 1.482 -1.649 0 CA-C-N 114.928 -1.033 . . . . 100.0 108.534 179.95 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' P' P ' 523' ' ' THR . . . . . 0.495 ' O ' ' HB3' ' P' ' 527' ' ' ASP . 57.5 m -66.06 -26.47 67.51 Favored 'General case' 0 N--CA 1.435 -1.187 0 O-C-N 127.8 3.188 . . . . 100.0 115.499 -179.528 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 524' ' ' ASP . . . . . 0.65 ' N ' ' O ' ' P' ' 520' ' ' GLN . 0.3 OUTLIER -77.34 -64.58 1.11 Allowed 'General case' 0 N--CA 1.419 -1.988 0 CA-C-O 123.449 1.595 . . . . 100.0 109.087 178.955 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' P' P ' 525' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' P' ' 521' ' ' ARG . 2.4 mtm-85 -47.32 -39.42 14.78 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 111.049 -2.796 . . . . 100.0 114.533 -179.681 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' P' P ' 526' ' ' HIS . . . . . 0.673 ' O ' ' N ' ' P' ' 528' ' ' LYS 0.279 0.3 OUTLIER -100.09 -78.99 0.5 Allowed 'General case' 0 CA--C 1.496 -1.127 0 C-N-CA 114.418 -2.913 . . . . 100.0 111.235 177.177 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' P' P ' 527' ' ' ASP . . . . . 0.665 ' C ' ' O ' ' P' ' 526' ' ' HIS . 0.0 OUTLIER -5.14 -61.97 0.0 OUTLIER 'General case' 0 C--O 1.238 0.492 0 CA-C-N 119.43 1.013 . . . . 100.0 110.897 178.367 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' P' P ' 528' ' ' LYS . . . . . 0.673 ' N ' ' O ' ' P' ' 526' ' ' HIS 0.26 0.0 OUTLIER -104.61 -83.54 0.5 Allowed 'General case' 0 C--O 1.242 0.672 0 N-CA-C 116.237 1.94 . . . . 100.0 116.237 179.012 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' P' P ' 529' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.123 0 CA-C-O 124.218 1.961 . . . . 100.0 109.287 -178.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 16' ' ' LDA . . . . . 0.685 HM21 ' OE2' ' P' ' 492' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . 0.415 ' O ' ' HB2' ' P' ' 461' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' HOH . . . . . 0.563 ' O ' " H3'" ' A' ' 7' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 107' ' ' HOH . . . . . 0.435 ' O ' ' NH1' ' P' ' 519' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 118' ' ' HOH . . . . . 0.417 ' O ' ' NH2' ' P' ' 507' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' P' P ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 124' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 126' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 127' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' P' P ' 128' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_