data_4pna_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 4pna _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' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 50.8 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.05 152.67 26.01 Favored Glycine 0 CA--C 1.508 -0.351 0 N-CA-C 109.672 -1.371 . . . . 31.69 109.672 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.82 -35.2 80.03 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.285 -0.566 . . . . 54.69 111.685 -176.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.7 mt -68.43 -47.29 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 119.584 -0.846 . . . . 23.93 108.92 -178.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.18 90.25 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.775 0.287 . . . . 26.02 111.775 175.814 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 90.2 mm-40 -63.34 -35.21 79.62 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.29 0.478 . . . . 70.95 112.29 -179.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.35 73.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.396 -0.522 . . . . 26.14 110.296 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.2 -36.4 81.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.648 -0.251 . . . . 24.99 111.464 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.36 -34.38 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.807 -0.357 . . . . 57.4 111.601 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.12 -41.06 91.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.381 0.61 . . . . 48.91 110.664 172.493 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.08 -41.53 92.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.409 -0.814 . . . . 21.68 109.668 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.77 94.65 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.999 -0.68 . . . . 23.44 110.825 177.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -63.27 -40.89 98.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.773 0.32 . . . . 69.18 110.653 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.48 94.42 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.153 -0.476 . . . . 21.2 110.624 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.66 -33.66 76.4 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.549 -0.46 . . . . 18.35 111.497 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -65.82 -36.21 82.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 56.31 110.653 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -66.27 -33.94 76.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 68.67 110.188 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.1 -42.33 91.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-N 115.434 -0.803 . . . . 23.3 109.948 174.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.82 -46.39 84.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 120.538 -0.465 . . . . 25.85 111.985 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -65.13 -34.63 78.86 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 121.208 0.528 . . . . 40.8 110.991 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.09 -37.98 78.71 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.773 -0.771 . . . . 26.15 110.147 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.07 -38.0 84.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.263 -0.426 . . . . 27.94 111.19 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -64.49 -31.82 73.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.741 -0.466 . . . . 42.5 109.741 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . 0.536 ' OE1' ' NZ ' ' F' ' 23' ' ' LYS . 40.1 mt-10 -66.15 -36.39 83.01 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.626 -0.509 . . . . 56.24 109.626 175.533 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.54 -44.39 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.51 -0.552 . . . . 29.08 109.51 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.97 93.39 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.072 0.463 . . . . 28.35 111.851 178.715 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -60.13 -43.43 95.67 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.602 -0.726 . . . . 77.28 110.749 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.12 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.214 -0.594 . . . . 37.09 111.441 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.6 mt -73.56 -32.02 63.93 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.657 0.614 . . . . 45.52 112.657 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.99 -42.06 90.31 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.977 -0.289 . . . . 66.66 110.392 174.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 CA-C-N 116.462 -0.336 . . . . 67.08 112.948 -176.681 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.189 . . . . . . . . 42.23 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.03 157.88 43.72 Favored Glycine 0 N--CA 1.45 -0.37 0 O-C-N 120.847 -1.158 . . . . 33.89 113.111 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.42 -32.38 73.97 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.121 -0.632 . . . . 37.45 112.434 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 59.2 mt -71.98 -46.92 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 119.182 -1.007 . . . . 23.7 109.418 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.97 85.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.531 0.205 . . . . 27.83 110.849 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 24.9 mm100 -64.01 -41.92 97.31 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.565 -0.288 . . . . 80.0 111.754 -179.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.41 93.55 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 120.342 -0.543 . . . . 21.96 111.115 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.26 -38.32 83.15 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.926 -0.398 . . . . 24.53 109.926 175.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -65.12 -35.51 81.34 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.872 -0.331 . . . . 63.01 111.762 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' B' ' 214' ' ' HOH . 49.3 mt-10 -63.51 -35.74 81.47 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 109.531 -0.544 . . . . 61.94 109.531 175.911 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 52.0 mt -67.64 -42.15 86.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.347 0 N-CA-C 109.044 -0.724 . . . . 20.73 109.044 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.23 92.62 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.137 0.494 . . . . 25.92 110.428 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -62.79 -43.14 99.57 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.271 0.558 . . . . 77.59 111.876 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.29 98.61 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.382 0.611 . . . . 21.49 110.069 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.34 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.25 -0.432 . . . . 18.34 110.445 178.155 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -69.66 -33.36 72.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.795 -0.762 . . . . 53.21 110.592 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.8 -30.88 68.52 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.633 -0.506 . . . . 52.28 109.633 177.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 51.2 mt -66.67 -43.58 90.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.128 -0.693 . . . . 18.27 109.128 176.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.13 -46.37 88.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.679 -0.237 . . . . 21.26 111.352 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -61.69 -39.57 91.9 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.627 0.603 . . . . 30.79 112.627 178.542 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.49 78.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.261 0.553 . . . . 20.16 109.554 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -69.03 -36.14 77.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.956 -0.757 . . . . 22.22 108.956 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -64.83 -33.92 77.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.469 -0.492 . . . . 40.44 110.253 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.57 -41.02 98.41 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 121.03 -0.268 . . . . 45.78 110.693 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.43 -44.9 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.826 -0.435 . . . . 26.48 109.826 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.43 91.6 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.71 -0.396 . . . . 23.06 111.334 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -61.0 -43.23 99.19 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.0 0.187 . . . . 28.39 111.126 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.61 94.71 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.875 0.369 . . . . 28.85 110.426 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.8 mt -64.06 -27.32 69.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 32.18 112.044 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -84.43 -7.64 59.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.282 0.475 . . . . 37.84 112.282 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.654 0 C-N-CA 120.813 -0.708 . . . . 35.43 113.078 -176.289 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.201 . . . . . . . . 39.45 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.85 151.54 47.72 Favored Glycine 0 C--O 1.238 0.387 0 O-C-N 120.062 -1.649 . . . . 35.83 112.883 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.26 -34.09 74.24 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.426 -0.91 . . . . 50.23 110.669 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mt -69.02 -45.96 79.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 119.07 -1.052 . . . . 22.91 108.774 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.2 -48.63 76.02 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.105 0.409 . . . . 26.7 112.105 175.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -60.83 -40.81 94.23 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.26 -0.275 . . . . 36.41 111.029 179.923 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.87 99.38 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.22 -0.659 . . . . 27.88 109.22 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.48 -36.68 84.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.419 . . . . 22.37 110.686 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.77 -31.53 72.57 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.027 -0.669 . . . . 63.26 110.445 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -69.69 -30.58 68.26 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.006 -0.678 . . . . 78.35 110.574 176.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 53.5 mt -67.22 -42.18 87.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.551 -0.907 . . . . 21.65 108.551 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.66 95.94 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.881 -0.328 . . . . 24.24 110.836 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -60.72 -40.11 91.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.222 0.453 . . . . 60.26 112.222 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.91 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.42 -0.585 . . . . 23.62 109.42 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.07 -33.08 74.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 26.83 110.595 177.139 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -67.19 -36.0 80.82 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.012 -0.675 . . . . 55.28 110.397 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.51 -30.51 70.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.149 -0.62 . . . . 78.18 110.908 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.9 -44.62 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.544 -0.91 . . . . 24.12 108.544 177.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.41 81.55 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.217 -0.593 . . . . 24.79 110.39 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -66.68 -42.24 86.82 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.976 -0.69 . . . . 34.29 111.606 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 -39.3 79.11 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.934 -0.575 . . . . 25.96 110.412 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 75.1 mt -65.8 -35.28 80.25 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.851 -0.613 . . . . 23.28 110.831 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -63.44 -37.53 87.64 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.985 -0.286 . . . . 55.8 110.552 174.583 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.45 -33.78 76.76 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 109.338 -0.615 . . . . 41.52 109.338 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.87 -47.09 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 119.364 -0.934 . . . . 25.18 109.443 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.53 -40.89 75.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.342 . . . . 29.9 110.268 178.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -65.01 -37.04 86.35 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 113.139 0.792 . . . . 66.32 113.139 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -31.29 71.95 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.198 -0.667 . . . . 34.23 109.198 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.44 -39.89 58.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.618 -0.719 . . . . 47.21 111.687 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -57.56 -57.26 13.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.877 0.37 . . . . 57.94 110.311 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-N 115.911 -0.586 . . . . 65.57 111.832 178.816 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.108 . . . . . . . . 49.6 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' GLY . . . . . . . . . . . . . . . -93.24 163.41 26.5 Favored Glycine 0 CA--C 1.507 -0.429 0 C-N-CA 121.242 -0.504 . . . . 39.41 112.066 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -66.14 -35.03 79.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.765 0.654 . . . . 53.18 112.765 -173.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' ILE . . . . . . . . . . . . . 56.6 mt -70.31 -43.3 78.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 119.122 -1.031 . . . . 26.58 108.781 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.0 92.47 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.429 -0.508 . . . . 30.66 111.122 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -67.25 -38.35 85.01 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 120.556 -0.458 . . . . 70.83 111.753 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.9 83.79 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.385 -0.598 . . . . 25.77 109.385 -179.209 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.91 -38.99 93.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.846 -0.427 . . . . 22.87 109.846 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.79 -36.92 84.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.579 -0.282 . . . . 55.94 111.416 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.65 -35.87 81.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.418 . . . . 66.33 109.878 175.654 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.76 -44.04 96.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 120.585 -0.446 . . . . 20.53 110.193 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.93 83.3 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.247 0.462 . . . . 23.52 112.247 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -66.82 -41.1 88.02 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.795 -0.362 . . . . 78.16 110.932 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.69 -32.69 74.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 24.33 110.181 179.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -67.73 -36.95 81.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.388 -0.369 . . . . 20.54 110.836 176.21 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -63.16 -39.26 94.16 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.85 -0.34 . . . . 56.87 110.546 174.121 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -62.37 -35.18 78.35 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.974 -0.75 . . . . 48.66 108.974 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.48 -42.14 92.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 119.61 -0.836 . . . . 23.69 111.049 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.85 88.39 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.367 0.506 . . . . 28.79 112.367 176.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -64.79 -41.64 95.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.694 0.283 . . . . 65.28 111.597 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.758 -0.46 . . . . 25.74 109.758 -178.526 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 30.9 mt -64.0 -38.16 90.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 21.28 111.817 174.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' LYS . . . . . 0.482 ' NZ ' ' O ' ' D' ' 102' ' ' HOH . 96.8 mttt -63.6 -34.93 78.91 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 119.883 -0.727 . . . . 59.36 110.124 173.431 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.88 -37.09 85.52 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 119.983 -0.687 . . . . 54.99 110.153 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.66 -42.1 94.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.715 0.293 . . . . 26.37 110.739 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.68 -47.65 79.39 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.813 0.339 . . . . 27.56 110.407 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -66.7 -34.77 78.59 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.81 -0.356 . . . . 49.31 111.81 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.99 93.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.26 0.553 . . . . 32.95 110.93 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 37.1 mt -69.2 -33.64 73.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.748 -0.66 . . . . 40.32 111.344 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' LYS . . . . . 0.462 ' NZ ' ' OE2' ' E' ' 24' ' ' GLU . 95.1 mttt -78.59 -11.24 59.96 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 111.979 0.363 . . . . 50.25 111.979 179.861 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 121.242 0.357 . . . . 58.66 113.324 -175.252 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.097 . . . . . . . . 48.39 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.37 154.03 48.63 Favored Glycine 0 CA--C 1.511 -0.176 0 N-CA-C 115.506 0.962 . . . . 35.77 115.506 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -70.64 -33.45 71.0 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.766 0.317 . . . . 48.31 110.396 -175.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' ILE . . . . . . . . . . . . . 51.0 mt -69.09 -48.74 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 109.532 -0.544 . . . . 28.62 109.532 178.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.77 85.21 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 112.718 0.636 . . . . 25.32 112.718 176.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -67.22 -36.27 81.33 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.863 -0.523 . . . . 63.16 111.846 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.26 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.528 -0.469 . . . . 25.74 109.986 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.95 -35.06 79.13 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.38 -0.528 . . . . 25.36 110.156 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -64.32 -34.9 79.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.555 -0.458 . . . . 50.16 110.953 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.86 -36.38 83.27 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.38 -0.528 . . . . 69.27 109.965 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -63.0 -42.34 96.3 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 116.025 -0.534 . . . . 21.41 109.904 176.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.56 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.14 -0.35 . . . . 23.76 111.707 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -70.94 -35.26 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.448 -0.501 . . . . 61.29 111.073 -177.72 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.39 82.09 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.504 -0.878 . . . . 20.62 109.89 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -64.99 -34.44 78.44 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.898 -0.321 . . . . 19.25 110.228 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.41 -35.02 78.43 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.187 -0.605 . . . . 52.82 110.108 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.01 -34.25 77.58 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.408 -0.589 . . . . 69.95 109.408 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.37 -44.94 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.219 -0.446 . . . . 22.88 110.082 177.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.53 74.82 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.775 -0.37 . . . . 20.17 111.064 175.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -67.76 -41.86 82.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.195 -0.602 . . . . 38.28 111.293 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.98 83.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.152 0.501 . . . . 30.7 110.316 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.94 -34.6 78.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 23.91 111.632 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -63.8 -36.65 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.49 -0.559 . . . . 34.21 109.49 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' GLU . . . . . 0.462 ' OE2' ' NZ ' ' D' ' 30' ' ' LYS . 87.8 tt0 -67.4 -34.74 77.89 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.504 -0.478 . . . . 42.79 110.434 178.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' ILE . . . . . . . . . . . . . 61.4 mt -63.5 -44.97 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.291 -0.413 . . . . 32.0 110.492 174.44 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.12 73.85 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.233 0.54 . . . . 25.52 110.95 175.006 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 -60.62 -40.03 90.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.086 -0.507 . . . . 66.11 111.32 -179.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.78 -40.61 95.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 33.81 110.46 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 58.2 mt -71.25 -17.1 62.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.701 0.63 . . . . 39.37 112.701 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 55.08 111.928 -178.416 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.078 . . . . . . . . 47.11 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.88 151.09 33.32 Favored Glycine 0 CA--C 1.51 -0.248 0 O-C-N 120.967 -1.083 . . . . 27.92 113.342 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -66.94 -36.05 81.37 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 109.082 -0.71 . . . . 43.76 109.082 -176.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 4' ' ' ILE . . . . . . . . . . . . . 41.6 mt -70.68 -44.75 76.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.696 -0.483 . . . . 25.37 109.696 -179.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.4 94.27 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.304 -0.558 . . . . 22.28 111.778 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 6' ' ' GLN . . . . . 0.424 ' NE2' ' OE2' ' F' ' 10' ' ' GLU . 1.4 pp0? -72.43 -26.85 62.0 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.739 -0.785 . . . . 72.63 110.551 -177.02 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.49 -39.66 67.5 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.031 -0.729 . . . . 18.83 109.031 176.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 8' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.5 -37.49 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.57 -0.287 . . . . 22.21 110.772 174.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 9' ' ' LYS . . . . . 0.593 ' NZ ' ' O ' ' F' ' 206' ' ' HOH . 32.5 mttp -66.76 -32.06 73.11 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.814 -0.355 . . . . 56.98 110.875 177.129 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 10' ' ' GLU . . . . . 0.424 ' OE2' ' NE2' ' F' ' 6' ' ' GLN . 75.8 mt-10 -67.3 -35.06 78.69 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.468 -0.493 . . . . 53.48 109.963 175.893 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 11' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.32 -48.0 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.901 -0.59 . . . . 23.97 109.61 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.38 -39.34 72.79 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.55 -0.46 . . . . 20.34 112.057 175.967 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.38 -42.21 88.25 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 120.76 0.314 . . . . 57.53 111.582 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.86 85.54 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.633 -0.427 . . . . 18.6 110.574 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.09 -35.05 78.96 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.969 -0.457 . . . . 18.33 111.035 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -66.95 -34.72 78.39 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.934 -0.706 . . . . 30.75 110.655 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 17' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -66.62 -33.85 76.57 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.659 -0.497 . . . . 55.66 109.659 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 53.0 mt -67.28 -41.84 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.28 -0.418 . . . . 18.95 110.657 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.34 94.12 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 122.179 -0.326 . . . . 23.33 111.238 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 20' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -63.61 -42.76 98.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 31.47 111.853 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.57 94.91 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.018 0.437 . . . . 19.86 110.878 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 22' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.04 -37.17 81.65 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.357 -0.537 . . . . 20.63 111.394 175.282 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 23' ' ' LYS . . . . . 0.536 ' NZ ' ' OE1' ' A' ' 24' ' ' GLU . 61.1 mttm -64.81 -35.8 82.27 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.398 -0.521 . . . . 53.59 110.983 175.346 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' F' F ' 24' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -63.76 -39.72 94.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.485 0.183 . . . . 40.48 110.614 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 25' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.84 -43.11 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.592 -0.443 . . . . 27.7 111.063 175.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.02 99.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.179 0.514 . . . . 28.14 110.519 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 27' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.42 -43.82 96.36 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.829 -0.623 . . . . 40.71 111.157 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.13 78.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 34.05 109.871 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 29' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.59 -14.48 61.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.696 -0.684 . . . . 49.76 110.753 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 30' ' ' LYS . . . . . . . . . . . . . 20.9 mmtp . . . . . 0 N--CA 1.465 0.29 0 C-N-CA 125.821 1.648 . . . . 66.46 111.325 -177.668 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 41.65 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.96 155.53 36.85 Favored Glycine 0 CA--C 1.507 -0.456 0 O-C-N 121.185 -0.947 . . . . 29.82 111.792 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -68.18 -32.91 73.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.284 -0.566 . . . . 44.29 110.428 -172.132 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 4' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.71 -45.94 64.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 C-N-CA 119.577 -0.849 . . . . 21.85 109.914 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.69 97.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.332 -0.547 . . . . 23.23 110.68 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 6' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -62.01 -37.45 84.92 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.413 -0.515 . . . . 64.02 110.927 179.222 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -39.9 83.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.982 0.42 . . . . 23.83 109.915 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.68 -39.06 90.11 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.288 -0.415 . . . . 19.75 109.901 176.277 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.38 -36.5 82.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.96 0.356 . . . . 53.65 111.96 175.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 10' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -61.97 -39.33 91.78 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.014 0.435 . . . . 65.37 111.642 174.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 11' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.41 -44.56 99.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 116.16 -0.473 . . . . 21.44 110.336 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.66 93.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 21.17 110.455 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -65.47 -37.88 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.771 0.656 . . . . 66.11 112.771 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.38 91.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.23 -0.656 . . . . 24.94 109.23 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 15' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.8 -37.81 88.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 18.24 111.543 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 16' ' ' LYS . . . . . 0.728 ' NZ ' ' O ' ' G' ' 211' ' ' HOH . 64.3 mttm -59.58 -39.63 84.75 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.471 -0.492 . . . . 52.64 110.257 175.171 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -63.84 -35.49 80.79 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.338 -0.392 . . . . 64.93 110.62 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 18' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.22 -43.52 98.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.27 -0.423 . . . . 20.7 109.992 174.492 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.14 84.47 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 122.22 -0.3 . . . . 21.81 111.376 177.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 20' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -59.84 -41.78 92.14 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.533 0.568 . . . . 56.36 112.533 177.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.21 79.78 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.118 -0.633 . . . . 21.12 110.052 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 22' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.69 -36.84 81.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.376 -0.375 . . . . 22.63 110.57 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 23' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -60.92 -38.58 86.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.985 0.422 . . . . 48.19 110.583 173.557 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.05 -44.69 97.02 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 123.314 0.646 . . . . 26.75 110.968 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 25' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.16 -46.94 88.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 O-C-N 123.25 0.344 . . . . 25.29 110.783 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.69 -46.33 77.66 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.029 0.381 . . . . 26.09 112.029 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -59.08 -42.57 90.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 67.14 110.336 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.37 83.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 32.58 110.876 -178.598 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.81 -31.73 63.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.499 -0.319 . . . . 47.1 111.402 -179.047 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 30' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -55.86 -44.41 78.06 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.434 -0.348 . . . . 69.07 110.907 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 CA-C-N 116.111 -0.495 . . . . 80.43 112.829 179.808 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' GOL . . . . . 0.515 ' O1 ' ' O1 ' ' G' ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 101' ' ' GOL . . . . . 0.528 ' O3 ' ' O3 ' ' G' ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 101' ' ' GOL . . . . . 0.515 ' O1 ' ' O1 ' ' B' ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 102' ' ' GOL . . . . . 0.528 ' O3 ' ' O3 ' ' F' ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' 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 ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 214' ' ' HOH . . . . . 0.433 ' O ' ' OE2' ' B' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . 0.482 ' O ' ' NZ ' ' D' ' 23' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 206' ' ' HOH . . . . . 0.593 ' O ' ' NZ ' ' F' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' F' F ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' F' F ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' G' G ' 211' ' ' HOH . . . . . 0.728 ' O ' ' NZ ' ' G' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' G' G ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 50.799999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.05 152.67 26.01 Favored Glycine 0 CA--C 1.508 -0.351 0 N-CA-C 109.672 -1.371 . . . . 31.690000000000001 109.672 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.82 -35.2 80.03 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.285 -0.566 . . . . 54.689999999999998 111.685 -176.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.7 mt -68.43 -47.29 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 119.584 -0.846 . . . . 23.93 108.92 -178.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.18 90.25 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.775 0.287 . . . . 26.02 111.775 175.814 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 113' ' ' HOH . 90.2 mm-40 -63.34 -35.21 79.62 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.29 0.478 . . . . 70.950000000000003 112.29 -179.916 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.35 73.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.396 -0.522 . . . . 26.140000000000001 110.296 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.2 -36.4 81.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.648 -0.251 . . . . 24.989999999999998 111.464 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.36 -34.38 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.807 -0.357 . . . . 57.399999999999999 111.601 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.12 -41.06 91.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.381 0.61 . . . . 48.909999999999997 110.664 172.493 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.08 -41.53 92.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.409 -0.814 . . . . 21.68 109.668 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.77 94.65 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.999 -0.68 . . . . 23.440000000000001 110.825 177.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -63.27 -40.89 98.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.773 0.32 . . . . 69.180000000000007 110.653 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.48 94.42 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.153 -0.476 . . . . 21.199999999999999 110.624 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.66 -33.66 76.4 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.549 -0.46 . . . . 18.350000000000001 111.497 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -65.82 -36.21 82.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 56.310000000000002 110.653 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -66.27 -33.94 76.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 68.670000000000002 110.188 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.1 -42.33 91.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-N 115.434 -0.803 . . . . 23.300000000000001 109.948 174.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.82 -46.39 84.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 120.538 -0.465 . . . . 25.850000000000001 111.985 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -65.13 -34.63 78.86 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 121.208 0.528 . . . . 44.810000000000002 110.991 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.09 -37.98 78.71 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.773 -0.771 . . . . 26.149999999999999 110.147 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.07 -38.0 84.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.263 -0.426 . . . . 27.940000000000001 111.19 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -64.49 -31.82 73.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.741 -0.466 . . . . 42.5 109.741 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . 0.536 ' OE1' ' NZ ' ' F' ' 23' ' ' LYS . 40.1 mt-10 -66.15 -36.39 83.01 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.626 -0.509 . . . . 56.240000000000002 109.626 175.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.54 -44.39 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.51 -0.552 . . . . 29.079999999999998 109.51 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.97 93.39 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.072 0.463 . . . . 28.350000000000001 111.851 178.715 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -60.13 -43.43 95.67 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.602 -0.726 . . . . 77.280000000000001 110.749 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.12 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.214 -0.594 . . . . 37.090000000000003 111.441 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.6 mt -73.56 -32.02 63.93 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.657 0.614 . . . . 45.520000000000003 112.657 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.99 -42.06 90.31 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.977 -0.289 . . . . 66.659999999999997 110.392 174.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 CA-C-N 116.462 -0.336 . . . . 67.079999999999998 112.948 -176.681 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.189 . . . . . . . . 42.229999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' B' ' 6' ' ' GLN . . . -79.03 157.88 43.72 Favored Glycine 0 N--CA 1.45 -0.37 0 O-C-N 120.847 -1.158 . . . . 33.890000000000001 113.111 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.42 -32.38 73.97 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.121 -0.632 . . . . 37.450000000000003 112.434 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 59.2 mt -71.98 -46.92 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 119.182 -1.007 . . . . 23.699999999999999 109.418 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.97 85.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.531 0.205 . . . . 27.829999999999998 110.849 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 2' ' ' GLY . 24.9 mm100 -64.01 -41.92 97.31 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.565 -0.288 . . . . 80.0 111.754 -179.206 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.41 93.55 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 120.342 -0.543 . . . . 21.960000000000001 111.115 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.26 -38.32 83.15 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.926 -0.398 . . . . 24.530000000000001 109.926 175.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -65.12 -35.51 81.34 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.872 -0.331 . . . . 63.009999999999998 111.762 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' B' ' 214' ' ' HOH . 49.3 mt-10 -63.51 -35.74 81.47 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 109.531 -0.544 . . . . 61.939999999999998 109.531 175.911 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 52.0 mt -67.64 -42.15 86.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.347 0 N-CA-C 109.044 -0.724 . . . . 20.73 109.044 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.23 92.62 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.137 0.494 . . . . 25.920000000000002 110.428 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -62.79 -43.14 99.57 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.271 0.558 . . . . 77.590000000000003 111.876 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.29 98.61 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.382 0.611 . . . . 21.489999999999998 110.069 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.34 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.25 -0.432 . . . . 18.34 110.445 178.155 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -69.66 -33.36 72.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.795 -0.762 . . . . 53.210000000000001 110.592 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.8 -30.88 68.52 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.633 -0.506 . . . . 52.280000000000001 109.633 177.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 51.2 mt -66.67 -43.58 90.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.128 -0.693 . . . . 18.27 109.128 176.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.13 -46.37 88.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.679 -0.237 . . . . 21.260000000000002 111.352 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -61.69 -39.57 91.9 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.627 0.603 . . . . 30.789999999999999 112.627 178.542 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.49 78.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.261 0.553 . . . . 20.16 109.554 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -69.03 -36.14 77.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.956 -0.757 . . . . 22.219999999999999 108.956 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -64.83 -33.92 77.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.469 -0.492 . . . . 40.439999999999998 110.253 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.57 -41.02 98.41 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 121.03 -0.268 . . . . 45.780000000000001 110.693 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.43 -44.9 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.826 -0.435 . . . . 26.48 109.826 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.43 91.6 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.71 -0.396 . . . . 23.059999999999999 111.334 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -61.0 -43.23 99.19 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.0 0.187 . . . . 28.390000000000001 111.126 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.61 94.71 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.875 0.369 . . . . 28.850000000000001 110.426 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.8 mt -64.06 -27.32 69.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 32.18 112.044 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -84.43 -7.64 59.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.282 0.475 . . . . 37.840000000000003 112.282 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.654 0 C-N-CA 120.813 -0.708 . . . . 35.43 113.078 -176.289 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.201 . . . . . . . . 39.450000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' C' ' 6' ' ' GLN . . . -71.85 151.54 47.72 Favored Glycine 0 C--O 1.238 0.387 0 O-C-N 120.062 -1.649 . . . . 35.829999999999998 112.883 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.26 -34.09 74.24 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.426 -0.91 . . . . 50.229999999999997 110.669 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mt -69.02 -45.96 79.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 119.07 -1.052 . . . . 22.91 108.774 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.2 -48.63 76.02 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.105 0.409 . . . . 26.699999999999999 112.105 175.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' C' ' 2' ' ' GLY . 9.4 mm100 -60.83 -40.81 94.23 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.26 -0.275 . . . . 39.090000000000003 111.029 179.923 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.87 99.38 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.22 -0.659 . . . . 27.879999999999999 109.22 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.48 -36.68 84.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.419 . . . . 22.370000000000001 110.686 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.77 -31.53 72.57 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.027 -0.669 . . . . 63.259999999999998 110.445 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 112' ' ' HOH . 75.9 mm-40 -69.69 -30.58 68.26 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.006 -0.678 . . . . 78.349999999999994 110.574 176.56 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 53.5 mt -67.22 -42.18 87.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.551 -0.907 . . . . 21.649999999999999 108.551 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.66 95.94 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.881 -0.328 . . . . 24.239999999999998 110.836 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -60.72 -40.11 91.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.222 0.453 . . . . 60.259999999999998 112.222 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.91 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.42 -0.585 . . . . 23.620000000000001 109.42 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.07 -33.08 74.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 26.829999999999998 110.595 177.139 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -67.19 -36.0 80.82 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.012 -0.675 . . . . 55.280000000000001 110.397 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.51 -30.51 70.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.149 -0.62 . . . . 78.180000000000007 110.908 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.9 -44.62 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.544 -0.91 . . . . 24.120000000000001 108.544 177.974 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.41 81.55 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.217 -0.593 . . . . 24.789999999999999 110.39 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -66.68 -42.24 86.82 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.976 -0.69 . . . . 34.289999999999999 111.606 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 -39.3 79.11 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.934 -0.575 . . . . 25.960000000000001 110.412 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 75.1 mt -65.8 -35.28 80.25 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.851 -0.613 . . . . 23.280000000000001 110.831 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -63.44 -37.53 87.64 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.985 -0.286 . . . . 55.799999999999997 110.552 174.583 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.45 -33.78 76.76 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 109.338 -0.615 . . . . 41.520000000000003 109.338 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.87 -47.09 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 119.364 -0.934 . . . . 25.18 109.443 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.53 -40.89 75.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.342 . . . . 29.899999999999999 110.268 178.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -65.01 -37.04 86.35 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 113.139 0.792 . . . . 66.319999999999993 113.139 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -31.29 71.95 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.198 -0.667 . . . . 34.229999999999997 109.198 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.44 -39.89 58.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.618 -0.719 . . . . 47.210000000000001 111.687 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -57.56 -57.26 13.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.877 0.37 . . . . 57.939999999999998 110.311 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-N 115.911 -0.586 . . . . 65.569999999999993 111.832 178.816 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.108 . . . . . . . . 49.600000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' GLY . . . . . 0.502 ' O ' ' HG2' ' D' ' 6' ' ' GLN . . . -93.24 163.41 26.5 Favored Glycine 0 CA--C 1.507 -0.429 0 C-N-CA 121.242 -0.504 . . . . 39.409999999999997 112.066 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -66.14 -35.03 79.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.765 0.654 . . . . 53.18 112.765 -173.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 4' ' ' ILE . . . . . . . . . . . . . 56.6 mt -70.31 -43.3 78.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 119.122 -1.031 . . . . 26.579999999999998 108.781 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.0 92.47 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.429 -0.508 . . . . 30.66 111.122 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' D' ' 2' ' ' GLY . 14.9 mm100 -67.25 -38.35 85.01 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 120.556 -0.458 . . . . 70.829999999999998 111.753 -178.846 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.9 83.79 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.385 -0.598 . . . . 25.77 109.385 -179.209 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.91 -38.99 93.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.846 -0.427 . . . . 22.870000000000001 109.846 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.79 -36.92 84.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.579 -0.282 . . . . 55.939999999999998 111.416 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.65 -35.87 81.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.418 . . . . 66.329999999999998 109.878 175.654 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.76 -44.04 96.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 120.585 -0.446 . . . . 20.530000000000001 110.193 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.93 83.3 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.247 0.462 . . . . 23.52 112.247 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -66.82 -41.1 88.02 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.795 -0.362 . . . . 78.159999999999997 110.932 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.69 -32.69 74.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 24.329999999999998 110.181 179.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -67.73 -36.95 81.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.388 -0.369 . . . . 20.539999999999999 110.836 176.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -63.16 -39.26 94.16 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.85 -0.34 . . . . 56.869999999999997 110.546 174.121 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -62.37 -35.18 78.35 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.974 -0.75 . . . . 48.659999999999997 108.974 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.48 -42.14 92.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 119.61 -0.836 . . . . 23.690000000000001 111.049 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.85 88.39 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.367 0.506 . . . . 28.789999999999999 112.367 176.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -64.79 -41.64 95.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.694 0.283 . . . . 65.280000000000001 111.597 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.758 -0.46 . . . . 25.739999999999998 109.758 -178.526 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 30.9 mt -64.0 -38.16 90.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 21.280000000000001 111.817 174.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.6 -34.93 78.91 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 119.883 -0.727 . . . . 59.359999999999999 110.124 173.431 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.88 -37.09 85.52 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 119.983 -0.687 . . . . 54.990000000000002 110.153 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.66 -42.1 94.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.715 0.293 . . . . 26.370000000000001 110.739 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.68 -47.65 79.39 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.813 0.339 . . . . 27.559999999999999 110.407 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -66.7 -34.77 78.59 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.81 -0.356 . . . . 49.310000000000002 111.81 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.99 93.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.26 0.553 . . . . 32.950000000000003 110.93 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 37.1 mt -69.2 -33.64 73.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.748 -0.66 . . . . 40.32 111.344 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' E' ' 24' ' ' GLU . 95.1 mttt -78.59 -11.24 59.96 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 111.979 0.363 . . . . 50.25 111.979 179.861 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 121.242 0.357 . . . . 58.659999999999997 113.324 -175.252 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.097 . . . . . . . . 48.390000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.37 154.03 48.63 Favored Glycine 0 CA--C 1.511 -0.176 0 N-CA-C 115.506 0.962 . . . . 35.770000000000003 115.506 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -70.64 -33.45 71.0 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.766 0.317 . . . . 48.310000000000002 110.396 -175.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' ILE . . . . . . . . . . . . . 51.0 mt -69.09 -48.74 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 109.532 -0.544 . . . . 28.620000000000001 109.532 178.393 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.77 85.21 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 112.718 0.636 . . . . 25.32 112.718 176.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -67.22 -36.27 81.33 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.863 -0.523 . . . . 63.159999999999997 111.846 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.26 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.528 -0.469 . . . . 25.739999999999998 109.986 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.95 -35.06 79.13 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.38 -0.528 . . . . 25.359999999999999 110.156 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -64.32 -34.9 79.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.555 -0.458 . . . . 50.159999999999997 110.953 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.86 -36.38 83.27 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.38 -0.528 . . . . 69.269999999999996 109.965 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -63.0 -42.34 96.3 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 116.025 -0.534 . . . . 21.41 109.904 176.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.56 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.14 -0.35 . . . . 23.760000000000002 111.707 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -70.94 -35.26 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.448 -0.501 . . . . 61.289999999999999 111.073 -177.72 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.39 82.09 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.504 -0.878 . . . . 20.620000000000001 109.89 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -64.99 -34.44 78.44 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.898 -0.321 . . . . 19.25 110.228 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.41 -35.02 78.43 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.187 -0.605 . . . . 52.82 110.108 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.01 -34.25 77.58 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.408 -0.589 . . . . 69.950000000000003 109.408 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.37 -44.94 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.219 -0.446 . . . . 22.879999999999999 110.082 177.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.53 74.82 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.775 -0.37 . . . . 20.170000000000002 111.064 175.842 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 20' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -67.76 -41.86 82.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.195 -0.602 . . . . 38.280000000000001 111.293 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.98 83.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.152 0.501 . . . . 30.699999999999999 110.316 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.94 -34.6 78.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 23.91 111.632 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 23' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -63.8 -36.65 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.49 -0.559 . . . . 34.210000000000001 109.49 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 24' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' D' ' 30' ' ' LYS . 87.8 tt0 -67.4 -34.74 77.89 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.504 -0.478 . . . . 42.789999999999999 110.434 178.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 25' ' ' ILE . . . . . . . . . . . . . 61.4 mt -63.5 -44.97 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.291 -0.413 . . . . 32.0 110.492 174.44 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.12 73.85 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.233 0.54 . . . . 25.52 110.95 175.006 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 27' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' E' ' 107' ' ' HOH . 23.7 mm100 -60.62 -40.03 90.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.086 -0.507 . . . . 66.109999999999999 111.32 -179.575 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.78 -40.61 95.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 33.810000000000002 110.46 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 58.2 mt -71.25 -17.1 62.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.701 0.63 . . . . 39.369999999999997 112.701 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 55.079999999999998 111.928 -178.416 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.078 . . . . . . . . 47.109999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.88 151.09 33.32 Favored Glycine 0 CA--C 1.51 -0.248 0 O-C-N 120.967 -1.083 . . . . 27.920000000000002 113.342 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -66.94 -36.05 81.37 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 109.082 -0.71 . . . . 43.759999999999998 109.082 -176.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 4' ' ' ILE . . . . . . . . . . . . . 41.6 mt -70.68 -44.75 76.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.696 -0.483 . . . . 25.370000000000001 109.696 -179.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.4 94.27 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.304 -0.558 . . . . 22.280000000000001 111.778 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 6' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' F' ' 210' ' ' HOH . 1.4 pp0? -72.43 -26.85 62.0 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.739 -0.785 . . . . 72.629999999999995 110.551 -177.02 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.49 -39.66 67.5 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.031 -0.729 . . . . 18.829999999999998 109.031 176.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 8' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.5 -37.49 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.57 -0.287 . . . . 22.210000000000001 110.772 174.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 9' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' F' ' 206' ' ' HOH . 32.5 mttp -66.76 -32.06 73.11 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.814 -0.355 . . . . 56.979999999999997 110.875 177.129 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.3 -35.06 78.69 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.468 -0.493 . . . . 53.479999999999997 109.963 175.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 11' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.32 -48.0 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.901 -0.59 . . . . 23.969999999999999 109.61 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.38 -39.34 72.79 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.55 -0.46 . . . . 20.34 112.057 175.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.38 -42.21 88.25 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 120.76 0.314 . . . . 57.530000000000001 111.582 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.86 85.54 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.633 -0.427 . . . . 18.600000000000001 110.574 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.09 -35.05 78.96 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.969 -0.457 . . . . 18.329999999999998 111.035 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -66.95 -34.72 78.39 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.934 -0.706 . . . . 30.75 110.655 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 17' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -66.62 -33.85 76.57 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.659 -0.497 . . . . 55.659999999999997 109.659 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 53.0 mt -67.28 -41.84 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.28 -0.418 . . . . 18.949999999999999 110.657 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.34 94.12 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 122.179 -0.326 . . . . 23.329999999999998 111.238 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 20' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -63.61 -42.76 98.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 31.469999999999999 111.853 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.57 94.91 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.018 0.437 . . . . 19.859999999999999 110.878 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 22' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.04 -37.17 81.65 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.357 -0.537 . . . . 20.629999999999999 111.394 175.282 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 23' ' ' LYS . . . . . 0.536 ' NZ ' ' OE1' ' A' ' 24' ' ' GLU . 61.1 mttm -64.81 -35.8 82.27 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.398 -0.521 . . . . 53.590000000000003 110.983 175.346 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' F' F ' 24' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -63.76 -39.72 94.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.485 0.183 . . . . 40.479999999999997 110.614 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 25' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.84 -43.11 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.592 -0.443 . . . . 27.699999999999999 111.063 175.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.02 99.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.179 0.514 . . . . 28.140000000000001 110.519 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 27' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.42 -43.82 96.36 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.829 -0.623 . . . . 40.710000000000001 111.157 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.13 78.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 34.049999999999997 109.871 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 29' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.59 -14.48 61.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.696 -0.684 . . . . 49.759999999999998 110.753 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 30' ' ' LYS . . . . . 0.445 ' HE3' ' O ' ' F' ' 212' ' ' HOH . 20.9 mmtp . . . . . 0 N--CA 1.465 0.29 0 C-N-CA 125.821 1.648 . . . . 66.459999999999994 111.325 -177.668 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 41.649999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 2' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' G' ' 6' ' ' GLN . . . -80.96 155.53 36.85 Favored Glycine 0 CA--C 1.507 -0.456 0 O-C-N 121.185 -0.947 . . . . 29.82 111.792 . . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -68.18 -32.91 73.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.284 -0.566 . . . . 44.289999999999999 110.428 -172.132 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 4' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.71 -45.94 64.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 C-N-CA 119.577 -0.849 . . . . 21.850000000000001 109.914 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.69 97.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.332 -0.547 . . . . 23.23 110.68 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 6' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' G' ' 2' ' ' GLY . 15.0 mm-40 -62.01 -37.45 84.92 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.413 -0.515 . . . . 64.019999999999996 110.927 179.222 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -39.9 83.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.982 0.42 . . . . 23.829999999999998 109.915 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.68 -39.06 90.11 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.288 -0.415 . . . . 19.75 109.901 176.277 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.38 -36.5 82.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.96 0.356 . . . . 53.649999999999999 111.96 175.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 10' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -61.97 -39.33 91.78 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.014 0.435 . . . . 65.370000000000005 111.642 174.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 11' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.41 -44.56 99.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 116.16 -0.473 . . . . 21.440000000000001 110.336 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.66 93.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 21.170000000000002 110.455 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -65.47 -37.88 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.771 0.656 . . . . 66.109999999999999 112.771 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.38 91.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.23 -0.656 . . . . 24.940000000000001 109.23 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 15' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.8 -37.81 88.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 18.239999999999998 111.543 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 16' ' ' LYS . . . . . 0.728 ' NZ ' ' O ' ' G' ' 211' ' ' HOH . 64.3 mttm -59.58 -39.63 84.75 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.471 -0.492 . . . . 52.640000000000001 110.257 175.171 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -63.84 -35.49 80.79 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.338 -0.392 . . . . 64.930000000000007 110.62 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 18' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.22 -43.52 98.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.27 -0.423 . . . . 20.699999999999999 109.992 174.492 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.14 84.47 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 122.22 -0.3 . . . . 21.809999999999999 111.376 177.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 20' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -59.84 -41.78 92.14 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.533 0.568 . . . . 56.359999999999999 112.533 177.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.21 79.78 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.118 -0.633 . . . . 21.120000000000001 110.052 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 22' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.69 -36.84 81.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.376 -0.375 . . . . 22.629999999999999 110.57 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 23' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -60.92 -38.58 86.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.985 0.422 . . . . 48.189999999999998 110.583 173.557 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.05 -44.69 97.02 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 123.314 0.646 . . . . 26.75 110.968 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 25' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.16 -46.94 88.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 O-C-N 123.25 0.344 . . . . 25.289999999999999 110.783 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.69 -46.33 77.66 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.029 0.381 . . . . 26.09 112.029 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -59.08 -42.57 90.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 67.140000000000001 110.336 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.37 83.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 32.579999999999998 110.876 -178.598 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.81 -31.73 63.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.499 -0.319 . . . . 47.100000000000001 111.402 -179.047 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 30' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -55.86 -44.41 78.06 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.434 -0.348 . . . . 69.069999999999993 110.907 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 CA-C-N 116.111 -0.495 . . . . 80.430000000000007 112.829 179.808 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' GOL . . . . . 0.453 ' O1 ' ' O1 ' ' G' ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 101' ' ' GOL . . . . . 0.494 ' O3 ' ' O3 ' ' G' ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 101' ' ' GOL . . . . . 0.453 ' O1 ' ' O1 ' ' B' ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 102' ' ' GOL . . . . . 0.494 ' O3 ' ' O3 ' ' F' ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . 0.533 ' O ' ' HG3' ' C' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . 0.475 ' O ' ' HG3' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 214' ' ' HOH . . . . . 0.433 ' O ' ' OE2' ' B' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 107' ' ' HOH . . . . . 0.414 ' O ' ' HG2' ' E' ' 27' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 206' ' ' HOH . . . . . 0.541 ' O ' ' NZ ' ' F' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 210' ' ' HOH . . . . . 0.556 ' O ' ' HG2' ' F' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' F' F ' 212' ' ' HOH . . . . . 0.445 ' O ' ' HE3' ' F' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' F' F ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' G' G ' 211' ' ' HOH . . . . . 0.728 ' O ' ' NZ ' ' G' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' G' G ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 50.799999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -86.05 152.67 26.01 Favored Glycine 0 CA--C 1.508 -0.351 0 N-CA-C 109.672 -1.371 . . . . 31.690000000000001 109.672 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -65.82 -35.2 80.03 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.285 -0.566 . . . . 54.689999999999998 111.685 -176.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.7 mt -68.43 -47.29 78.15 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.401 0 C-N-CA 119.584 -0.846 . . . . 23.93 108.92 -178.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.18 90.25 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 111.775 0.287 . . . . 26.02 111.775 175.814 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 113' ' ' HOH . 90.2 mm-40 -63.34 -35.21 79.62 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.29 0.478 . . . . 70.950000000000003 112.29 -179.916 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.6 -37.35 73.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.396 -0.522 . . . . 26.140000000000001 110.296 178.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.2 -36.4 81.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.648 -0.251 . . . . 24.989999999999998 111.464 174.35 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -68.36 -34.38 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.807 -0.357 . . . . 57.399999999999999 111.601 177.418 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -60.12 -41.06 91.83 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.381 0.61 . . . . 48.909999999999997 110.664 172.493 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 70.0 mt -64.08 -41.53 92.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.409 -0.814 . . . . 21.68 109.668 179.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.77 94.65 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 119.999 -0.68 . . . . 23.440000000000001 110.825 177.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.2 mtpp -63.27 -40.89 98.66 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.773 0.32 . . . . 69.180000000000007 110.653 178.681 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.69 -39.48 94.42 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.153 -0.476 . . . . 21.199999999999999 110.624 179.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.7 mt -65.66 -33.66 76.4 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 120.549 -0.46 . . . . 18.350000000000001 111.497 179.154 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.7 mttp -65.82 -36.21 82.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.764 0.316 . . . . 56.310000000000002 110.653 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 57.6 mm-40 -66.27 -33.94 76.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 68.670000000000002 110.188 179.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.2 mt -66.1 -42.33 91.17 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-N 115.434 -0.803 . . . . 23.300000000000001 109.948 174.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.82 -46.39 84.78 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 120.538 -0.465 . . . . 25.850000000000001 111.985 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 44.5 m0 -65.13 -34.63 78.86 Favored 'General case' 0 C--O 1.218 -0.564 0 CA-C-O 121.208 0.528 . . . . 44.810000000000002 110.991 179.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.09 -37.98 78.71 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 119.773 -0.771 . . . . 26.149999999999999 110.147 -179.127 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.4 mt -61.07 -38.0 84.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.263 -0.426 . . . . 27.940000000000001 111.19 175.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -64.49 -31.82 73.2 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.741 -0.466 . . . . 42.5 109.741 176.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.536 ' OE1' ' NZ ' ' F' ' 23' ' ' LYS . 40.1 mt-10 -66.15 -36.39 83.01 Favored 'General case' 0 C--O 1.216 -0.706 0 N-CA-C 109.626 -0.509 . . . . 56.240000000000002 109.626 175.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 64.0 mt -64.54 -44.39 96.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 109.51 -0.552 . . . . 29.079999999999998 109.51 174.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.67 -44.97 93.39 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 121.072 0.463 . . . . 28.350000000000001 111.851 178.715 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 60.7 mm-40 -60.13 -43.43 95.67 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.602 -0.726 . . . . 77.280000000000001 110.749 177.768 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.53 -32.12 73.55 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.214 -0.594 . . . . 37.090000000000003 111.441 -178.878 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.6 mt -73.56 -32.02 63.93 Favored 'General case' 0 N--CA 1.468 0.442 0 N-CA-C 112.657 0.614 . . . . 45.520000000000003 112.657 178.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -65.99 -42.06 90.31 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.977 -0.289 . . . . 66.659999999999997 110.392 174.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.228 0 CA-C-N 116.462 -0.336 . . . . 67.079999999999998 112.948 -176.681 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.189 . . . . . . . . 42.229999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' GLY . . . . . 0.452 ' O ' ' HG2' ' B' ' 6' ' ' GLN . . . -79.03 157.88 43.72 Favored Glycine 0 N--CA 1.45 -0.37 0 O-C-N 120.847 -1.158 . . . . 33.890000000000001 113.111 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -65.42 -32.38 73.97 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.121 -0.632 . . . . 37.450000000000003 112.434 -175.76 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 59.2 mt -71.98 -46.92 57.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 119.182 -1.007 . . . . 23.699999999999999 109.418 179.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -57.75 -43.97 85.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.531 0.205 . . . . 27.829999999999998 110.849 177.488 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' B' ' 2' ' ' GLY . 24.9 mm100 -64.01 -41.92 97.31 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.565 -0.288 . . . . 80.0 111.754 -179.206 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.78 -39.41 93.55 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 120.342 -0.543 . . . . 21.960000000000001 111.115 178.439 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.26 -38.32 83.15 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 109.926 -0.398 . . . . 24.530000000000001 109.926 175.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -65.12 -35.51 81.34 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 120.872 -0.331 . . . . 63.009999999999998 111.762 177.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' B' ' 214' ' ' HOH . 49.3 mt-10 -63.51 -35.74 81.47 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 109.531 -0.544 . . . . 61.939999999999998 109.531 175.911 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' ILE . . . . . . . . . . . . . 52.0 mt -67.64 -42.15 86.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.347 0 N-CA-C 109.044 -0.724 . . . . 20.73 109.044 179.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.3 -43.23 92.62 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-O 121.137 0.494 . . . . 25.920000000000002 110.428 176.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 30.6 ttmt -62.79 -43.14 99.57 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.271 0.558 . . . . 77.590000000000003 111.876 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.43 -41.29 98.61 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-O 121.382 0.611 . . . . 21.489999999999998 110.069 178.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.34 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.25 -0.432 . . . . 18.34 110.445 178.155 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -69.66 -33.36 72.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.795 -0.762 . . . . 53.210000000000001 110.592 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 73.8 mt-10 -69.8 -30.88 68.52 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.633 -0.506 . . . . 52.280000000000001 109.633 177.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 51.2 mt -66.67 -43.58 90.16 Favored 'Isoleucine or valine' 0 C--O 1.238 0.485 0 N-CA-C 109.128 -0.693 . . . . 18.27 109.128 176.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.13 -46.37 88.51 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.679 -0.237 . . . . 21.260000000000002 111.352 177.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -61.69 -39.57 91.9 Favored 'General case' 0 CA--C 1.539 0.554 0 N-CA-C 112.627 0.603 . . . . 30.789999999999999 112.627 178.542 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.63 -34.49 78.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.261 0.553 . . . . 20.16 109.554 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 69.8 mt -69.03 -36.14 77.42 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.956 -0.757 . . . . 22.219999999999999 108.956 179.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -64.83 -33.92 77.14 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 120.469 -0.492 . . . . 40.439999999999998 110.253 174.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -63.57 -41.02 98.41 Favored 'General case' 0 C--O 1.219 -0.539 0 C-N-CA 121.03 -0.268 . . . . 45.780000000000001 110.693 175.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 67.2 mt -61.43 -44.9 99.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.826 -0.435 . . . . 26.48 109.826 176.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.43 91.6 Favored 'General case' 0 C--O 1.222 -0.377 0 C-N-CA 120.71 -0.396 . . . . 23.059999999999999 111.334 177.357 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' GLN . . . . . . . . . . . . . 47.0 tp60 -61.0 -43.23 99.19 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.0 0.187 . . . . 28.390000000000001 111.126 179.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.61 94.71 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.875 0.369 . . . . 28.850000000000001 110.426 -178.297 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 59.8 mt -64.06 -27.32 69.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 32.18 112.044 177.126 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 42.0 mttt -84.43 -7.64 59.22 Favored 'General case' 0 N--CA 1.464 0.241 0 N-CA-C 112.282 0.475 . . . . 37.840000000000003 112.282 178.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.654 0 C-N-CA 120.813 -0.708 . . . . 35.43 113.078 -176.289 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.201 . . . . . . . . 39.450000000000003 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' GLY . . . . . 0.425 ' O ' ' HG2' ' C' ' 6' ' ' GLN . . . -71.85 151.54 47.72 Favored Glycine 0 C--O 1.238 0.387 0 O-C-N 120.062 -1.649 . . . . 35.829999999999998 112.883 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -69.26 -34.09 74.24 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 119.426 -0.91 . . . . 50.229999999999997 110.669 -174.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mt -69.02 -45.96 79.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 119.07 -1.052 . . . . 22.91 108.774 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.2 -48.63 76.02 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 112.105 0.409 . . . . 26.699999999999999 112.105 175.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' C' ' 2' ' ' GLY . 9.4 mm100 -60.83 -40.81 94.23 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 122.26 -0.275 . . . . 39.090000000000003 111.029 179.923 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.29 -42.87 99.38 Favored 'General case' 0 CA--C 1.52 -0.198 0 N-CA-C 109.22 -0.659 . . . . 27.879999999999999 109.22 179.65 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.48 -36.68 84.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.979 0.419 . . . . 22.370000000000001 110.686 178.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -65.77 -31.53 72.57 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.027 -0.669 . . . . 63.259999999999998 110.445 177.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 112' ' ' HOH . 75.9 mm-40 -69.69 -30.58 68.26 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.006 -0.678 . . . . 78.349999999999994 110.574 176.56 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' ILE . . . . . . . . . . . . . 53.5 mt -67.22 -42.18 87.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 108.551 -0.907 . . . . 21.649999999999999 108.551 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.57 -44.66 95.94 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.881 -0.328 . . . . 24.239999999999998 110.836 177.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -60.72 -40.11 91.13 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.222 0.453 . . . . 60.259999999999998 112.222 178.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' ALA . . . . . . . . . . . . . . . -67.31 -37.91 84.11 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.42 -0.585 . . . . 23.620000000000001 109.42 -179.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 79.8 mt -63.07 -33.08 74.68 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.894 -0.594 . . . . 26.829999999999998 110.595 177.139 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -67.19 -36.0 80.82 Favored 'General case' 0 C--O 1.222 -0.387 0 C-N-CA 120.012 -0.675 . . . . 55.280000000000001 110.397 176.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -66.51 -30.51 70.84 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.149 -0.62 . . . . 78.180000000000007 110.908 176.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 37.8 mt -67.9 -44.62 85.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.544 -0.91 . . . . 24.120000000000001 108.544 177.974 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.41 81.55 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.217 -0.593 . . . . 24.789999999999999 110.39 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -66.68 -42.24 86.82 Favored 'General case' 0 C--O 1.239 0.501 0 C-N-CA 119.976 -0.69 . . . . 34.289999999999999 111.606 178.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.34 -39.3 79.11 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 115.934 -0.575 . . . . 25.960000000000001 110.412 177.857 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' LEU . . . . . . . . . . . . . 75.1 mt -65.8 -35.28 80.25 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.851 -0.613 . . . . 23.280000000000001 110.831 179.094 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LYS . . . . . . . . . . . . . 43.6 mttm -63.44 -37.53 87.64 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.985 -0.286 . . . . 55.799999999999997 110.552 174.583 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -65.45 -33.78 76.76 Favored 'General case' 0 C--O 1.22 -0.498 0 N-CA-C 109.338 -0.615 . . . . 41.520000000000003 109.338 177.648 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ILE . . . . . . . . . . . . . 53.1 mt -66.87 -47.09 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 119.364 -0.934 . . . . 25.18 109.443 177.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.53 -40.89 75.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.819 0.342 . . . . 29.899999999999999 110.268 178.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 27' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -65.01 -37.04 86.35 Favored 'General case' 0 C--O 1.224 -0.288 0 N-CA-C 113.139 0.792 . . . . 66.319999999999993 113.139 177.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.46 -31.29 71.95 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.198 -0.667 . . . . 34.229999999999997 109.198 179.173 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 29' ' ' LEU . . . . . . . . . . . . . 82.1 mt -75.44 -39.89 58.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.618 -0.719 . . . . 47.210000000000001 111.687 -178.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -57.56 -57.26 13.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.877 0.37 . . . . 57.939999999999998 110.311 175.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 CA-C-N 115.911 -0.586 . . . . 65.569999999999993 111.832 178.816 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.108 . . . . . . . . 49.600000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' GLY . . . . . 0.502 ' O ' ' HG2' ' D' ' 6' ' ' GLN . . . -93.24 163.41 26.5 Favored Glycine 0 CA--C 1.507 -0.429 0 C-N-CA 121.242 -0.504 . . . . 39.409999999999997 112.066 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -66.14 -35.03 79.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 112.765 0.654 . . . . 53.18 112.765 -173.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' ILE . . . . . . . . . . . . . 56.6 mt -70.31 -43.3 78.56 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.273 0 C-N-CA 119.122 -1.031 . . . . 26.579999999999998 108.781 179.11 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.0 92.47 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.429 -0.508 . . . . 30.66 111.122 178.869 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' GLN . . . . . 0.502 ' HG2' ' O ' ' D' ' 2' ' ' GLY . 14.9 mm100 -67.25 -38.35 85.01 Favored 'General case' 0 C--O 1.222 -0.349 0 C-N-CA 120.556 -0.458 . . . . 70.829999999999998 111.753 -178.846 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.41 -37.9 83.79 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.385 -0.598 . . . . 25.77 109.385 -179.209 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.91 -38.99 93.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.846 -0.427 . . . . 22.870000000000001 109.846 177.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -62.79 -36.92 84.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.579 -0.282 . . . . 55.939999999999998 111.416 176.359 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -63.65 -35.87 81.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.979 0.418 . . . . 66.329999999999998 109.878 175.654 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' ILE . . . . . . . . . . . . . 63.7 mt -64.76 -44.04 96.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 C-N-CA 120.585 -0.446 . . . . 20.530000000000001 110.193 177.269 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.93 83.3 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.247 0.462 . . . . 23.52 112.247 176.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' LYS . . . . . . . . . . . . . 23.4 mttm -66.82 -41.1 88.02 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.795 -0.362 . . . . 78.159999999999997 110.932 179.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.69 -32.69 74.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 24.329999999999998 110.181 179.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -67.73 -36.95 81.51 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.388 -0.369 . . . . 20.539999999999999 110.836 176.21 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 46.5 mttm -63.16 -39.26 94.16 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.85 -0.34 . . . . 56.869999999999997 110.546 174.121 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -62.37 -35.18 78.35 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 108.974 -0.75 . . . . 48.659999999999997 108.974 176.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 61.2 mt -65.48 -42.14 92.59 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.518 0 C-N-CA 119.61 -0.836 . . . . 23.690000000000001 111.049 176.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.85 88.39 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 112.367 0.506 . . . . 28.789999999999999 112.367 176.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' TRP . . . . . . . . . . . . . 43.8 m0 -64.79 -41.64 95.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.694 0.283 . . . . 65.280000000000001 111.597 -179.319 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.85 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.758 -0.46 . . . . 25.739999999999998 109.758 -178.526 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' LEU . . . . . . . . . . . . . 30.9 mt -64.0 -38.16 90.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.471 . . . . 21.280000000000001 111.817 174.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -63.6 -34.93 78.91 Favored 'General case' 0 C--O 1.234 0.283 0 C-N-CA 119.883 -0.727 . . . . 59.359999999999999 110.124 173.431 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -62.88 -37.09 85.52 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 119.983 -0.687 . . . . 54.990000000000002 110.153 175.895 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ILE . . . . . . . . . . . . . 53.9 mt -64.66 -42.1 94.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.715 0.293 . . . . 26.370000000000001 110.739 175.334 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.68 -47.65 79.39 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-O 120.813 0.339 . . . . 27.559999999999999 110.407 177.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' GLN . . . . . . . . . . . . . 28.0 mm100 -66.7 -34.77 78.59 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.81 -0.356 . . . . 49.310000000000002 111.81 -179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.28 -38.99 93.33 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 121.26 0.553 . . . . 32.950000000000003 110.93 178.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LEU . . . . . . . . . . . . . 37.1 mt -69.2 -33.64 73.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.748 -0.66 . . . . 40.32 111.344 177.665 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' LYS . . . . . 0.456 ' NZ ' ' OE2' ' E' ' 24' ' ' GLU . 95.1 mttt -78.59 -11.24 59.96 Favored 'General case' 0 C--O 1.224 -0.284 0 N-CA-C 111.979 0.363 . . . . 50.25 111.979 179.861 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 121.242 0.357 . . . . 58.659999999999997 113.324 -175.252 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.097 . . . . . . . . 48.390000000000001 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.37 154.03 48.63 Favored Glycine 0 CA--C 1.511 -0.176 0 N-CA-C 115.506 0.962 . . . . 35.770000000000003 115.506 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -70.64 -33.45 71.0 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 120.766 0.317 . . . . 48.310000000000002 110.396 -175.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' ILE . . . . . . . . . . . . . 51.0 mt -69.09 -48.74 67.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 109.532 -0.544 . . . . 28.620000000000001 109.532 178.393 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' ALA . . . . . . . . . . . . . . . -58.84 -40.77 85.21 Favored 'General case' 0 C--O 1.22 -0.467 0 N-CA-C 112.718 0.636 . . . . 25.32 112.718 176.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' GLN . . . . . . . . . . . . . 30.9 mm100 -67.22 -36.27 81.33 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 121.863 -0.523 . . . . 63.159999999999997 111.846 -179.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.71 -38.26 86.37 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.528 -0.469 . . . . 25.739999999999998 109.986 177.374 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' LEU . . . . . . . . . . . . . 67.6 mt -66.95 -35.06 79.13 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.38 -0.528 . . . . 25.359999999999999 110.156 177.328 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -64.32 -34.9 79.21 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.555 -0.458 . . . . 50.159999999999997 110.953 175.241 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mt-10 -65.86 -36.38 83.27 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.38 -0.528 . . . . 69.269999999999996 109.965 176.651 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' ILE . . . . . . . . . . . . . 68.2 mt -63.0 -42.34 96.3 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.492 0 CA-C-N 116.025 -0.534 . . . . 21.41 109.904 176.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.82 -40.56 93.18 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 122.14 -0.35 . . . . 23.760000000000002 111.707 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -70.94 -35.26 72.14 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.448 -0.501 . . . . 61.289999999999999 111.073 -177.72 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.96 -36.39 82.09 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.504 -0.878 . . . . 20.620000000000001 109.89 176.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 mt -64.99 -34.44 78.44 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.898 -0.321 . . . . 19.25 110.228 177.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -67.41 -35.02 78.43 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.187 -0.605 . . . . 52.82 110.108 176.394 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -64.01 -34.25 77.58 Favored 'General case' 0 C--O 1.224 -0.289 0 N-CA-C 109.408 -0.589 . . . . 69.950000000000003 109.408 176.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 61.8 mt -68.37 -44.94 83.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.219 -0.446 . . . . 22.879999999999999 110.082 177.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.95 -41.53 74.82 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 120.775 -0.37 . . . . 20.170000000000002 111.064 175.842 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -67.76 -41.86 82.68 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.195 -0.602 . . . . 38.280000000000001 111.293 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.08 -39.98 83.81 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.152 0.501 . . . . 30.699999999999999 110.316 178.987 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' LEU . . . . . . . . . . . . . 48.4 mt -65.94 -34.6 78.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.141 -0.481 . . . . 23.91 111.632 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' LYS . . . . . . . . . . . . . 55.1 mttm -63.8 -36.65 84.58 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.49 -0.559 . . . . 34.210000000000001 109.49 175.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' GLU . . . . . 0.456 ' OE2' ' NZ ' ' D' ' 30' ' ' LYS . 87.8 tt0 -67.4 -34.74 77.89 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.504 -0.478 . . . . 42.789999999999999 110.434 178.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' ILE . . . . . . . . . . . . . 61.4 mt -63.5 -44.97 98.97 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-N 116.291 -0.413 . . . . 32.0 110.492 174.44 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.04 -48.12 73.85 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.233 0.54 . . . . 25.52 110.95 175.006 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 27' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' E' ' 107' ' ' HOH . 23.7 mm100 -60.62 -40.03 90.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.086 -0.507 . . . . 66.109999999999999 111.32 -179.575 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.78 -40.61 95.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.338 -0.392 . . . . 33.810000000000002 110.46 179.862 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 29' ' ' LEU . . . . . . . . . . . . . 58.2 mt -71.25 -17.1 62.51 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 112.701 0.63 . . . . 39.369999999999997 112.701 -179.805 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 30' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.954 0.407 . . . . 55.079999999999998 111.928 -178.416 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.078 . . . . . . . . 47.109999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.88 151.09 33.32 Favored Glycine 0 CA--C 1.51 -0.248 0 O-C-N 120.967 -1.083 . . . . 27.920000000000002 113.342 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -66.94 -36.05 81.37 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 109.082 -0.71 . . . . 43.759999999999998 109.082 -176.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 4' ' ' ILE . . . . . . . . . . . . . 41.6 mt -70.68 -44.75 76.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 109.696 -0.483 . . . . 25.370000000000001 109.696 -179.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.4 94.27 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.304 -0.558 . . . . 22.280000000000001 111.778 177.133 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 6' ' ' GLN . . . . . 0.556 ' HG2' ' O ' ' F' ' 210' ' ' HOH . 1.4 pp0? -72.43 -26.85 62.0 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 119.739 -0.785 . . . . 72.629999999999995 110.551 -177.02 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.49 -39.66 67.5 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.031 -0.729 . . . . 18.829999999999998 109.031 176.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 8' ' ' LEU . . . . . . . . . . . . . 71.2 mt -61.5 -37.49 83.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.57 -0.287 . . . . 22.210000000000001 110.772 174.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 9' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' F' ' 206' ' ' HOH . 32.5 mttp -66.76 -32.06 73.11 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.814 -0.355 . . . . 56.979999999999997 110.875 177.129 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 75.8 mt-10 -67.3 -35.06 78.69 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.468 -0.493 . . . . 53.479999999999997 109.963 175.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 11' ' ' ILE . . . . . . . . . . . . . 63.8 mt -65.32 -48.0 85.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.901 -0.59 . . . . 23.969999999999999 109.61 176.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.38 -39.34 72.79 Favored 'General case' 0 C--O 1.224 -0.284 0 C-N-CA 120.55 -0.46 . . . . 20.34 112.057 175.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 13' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -66.38 -42.21 88.25 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 120.76 0.314 . . . . 57.530000000000001 111.582 -179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.42 -36.86 85.54 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 120.633 -0.427 . . . . 18.600000000000001 110.574 177.449 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -63.09 -35.05 78.96 Favored 'General case' 0 C--N 1.329 -0.305 0 O-C-N 121.969 -0.457 . . . . 18.329999999999998 111.035 177.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 91.6 mttt -66.95 -34.72 78.39 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 119.934 -0.706 . . . . 30.75 110.655 175.712 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 17' ' ' GLU . . . . . . . . . . . . . 81.9 mt-10 -66.62 -33.85 76.57 Favored 'General case' 0 CA--C 1.513 -0.451 0 N-CA-C 109.659 -0.497 . . . . 55.659999999999997 109.659 178.289 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 53.0 mt -67.28 -41.84 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-N 116.28 -0.418 . . . . 18.949999999999999 110.657 176.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.34 94.12 Favored 'General case' 0 C--N 1.332 -0.194 0 O-C-N 122.179 -0.326 . . . . 23.329999999999998 111.238 177.83 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 20' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -63.61 -42.76 98.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.819 0.342 . . . . 31.469999999999999 111.853 178.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.57 94.91 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.018 0.437 . . . . 19.859999999999999 110.878 177.029 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 22' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.04 -37.17 81.65 Favored 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.357 -0.537 . . . . 20.629999999999999 111.394 175.282 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 23' ' ' LYS . . . . . 0.536 ' NZ ' ' OE1' ' A' ' 24' ' ' GLU . 61.1 mttm -64.81 -35.8 82.27 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.398 -0.521 . . . . 53.590000000000003 110.983 175.346 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' F' F ' 24' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -63.76 -39.72 94.96 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.485 0.183 . . . . 40.479999999999997 110.614 176.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 25' ' ' ILE . . . . . . . . . . . . . 74.7 mt -61.84 -43.11 96.88 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 C-N-CA 120.592 -0.443 . . . . 27.699999999999999 111.063 175.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.02 99.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.179 0.514 . . . . 28.140000000000001 110.519 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 27' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -60.42 -43.82 96.36 Favored 'General case' 0 C--O 1.222 -0.372 0 CA-C-N 115.829 -0.623 . . . . 40.710000000000001 111.157 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.06 -37.13 78.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.553 0.692 . . . . 34.049999999999997 109.871 179.634 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 29' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.59 -14.48 61.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.696 -0.684 . . . . 49.759999999999998 110.753 179.993 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 30' ' ' LYS . . . . . 0.445 ' HE3' ' O ' ' F' ' 212' ' ' HOH . 20.9 mmtp . . . . . 0 N--CA 1.465 0.29 0 C-N-CA 125.821 1.648 . . . . 66.459999999999994 111.325 -177.668 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 . . . . . . . . 41.649999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 2' ' ' GLY . . . . . 0.47 ' O ' ' HG2' ' G' ' 6' ' ' GLN . . . -80.96 155.53 36.85 Favored Glycine 0 CA--C 1.507 -0.456 0 O-C-N 121.185 -0.947 . . . . 29.82 111.792 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -68.18 -32.91 73.48 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.284 -0.566 . . . . 44.289999999999999 110.428 -172.132 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 4' ' ' ILE . . . . . . . . . . . . . 65.3 mt -71.71 -45.94 64.11 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 C-N-CA 119.577 -0.849 . . . . 21.850000000000001 109.914 -179.433 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.37 -41.69 97.49 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.332 -0.547 . . . . 23.23 110.68 178.636 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 6' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' G' ' 2' ' ' GLY . 15.0 mm-40 -62.01 -37.45 84.92 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 120.413 -0.515 . . . . 64.019999999999996 110.927 179.222 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.01 -39.9 83.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.982 0.42 . . . . 23.829999999999998 109.915 -179.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 8' ' ' LEU . . . . . . . . . . . . . 96.1 mt -61.68 -39.06 90.11 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-N 116.288 -0.415 . . . . 19.75 109.901 176.277 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 9' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -62.38 -36.5 82.48 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 111.96 0.356 . . . . 53.649999999999999 111.96 175.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 10' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -61.97 -39.33 91.78 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.014 0.435 . . . . 65.370000000000005 111.642 174.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 11' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.41 -44.56 99.36 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 CA-C-N 116.16 -0.473 . . . . 21.440000000000001 110.336 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.66 93.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 21.170000000000002 110.455 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 13' ' ' LYS . . . . . . . . . . . . . 52.3 mtmt -65.47 -37.88 88.14 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.771 0.656 . . . . 66.109999999999999 112.771 178.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 14' ' ' ALA . . . . . . . . . . . . . . . -66.01 -40.38 91.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 109.23 -0.656 . . . . 24.940000000000001 109.23 177.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 15' ' ' LEU . . . . . . . . . . . . . 50.9 mt -62.8 -37.81 88.18 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 18.239999999999998 111.543 176.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.728 ' NZ ' ' O ' ' G' ' 211' ' ' HOH . 64.3 mttm -59.58 -39.63 84.75 Favored 'General case' 0 C--O 1.234 0.247 0 C-N-CA 120.471 -0.492 . . . . 52.640000000000001 110.257 175.171 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' G' G ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -63.84 -35.49 80.79 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.338 -0.392 . . . . 64.930000000000007 110.62 178.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 18' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.22 -43.52 98.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-N 116.27 -0.423 . . . . 20.699999999999999 109.992 174.492 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.61 -46.14 84.47 Favored 'General case' 0 N--CA 1.466 0.337 0 O-C-N 122.22 -0.3 . . . . 21.809999999999999 111.376 177.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 20' ' ' TRP . . . . . . . . . . . . . 42.7 m0 -59.84 -41.78 92.14 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.533 0.568 . . . . 56.359999999999999 112.533 177.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.33 -35.21 79.78 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.118 -0.633 . . . . 21.120000000000001 110.052 -179.545 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 22' ' ' LEU . . . . . . . . . . . . . 82.6 mt -67.69 -36.84 81.4 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.376 -0.375 . . . . 22.629999999999999 110.57 177.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 23' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -60.92 -38.58 86.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.985 0.422 . . . . 48.189999999999998 110.583 173.557 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -61.05 -44.69 97.02 Favored 'General case' 0 C--O 1.177 -2.746 0 C-N-CA 123.314 0.646 . . . . 26.75 110.968 176.077 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 25' ' ' ILE . . . . . . . . . . . . . 63.9 mt -58.16 -46.94 88.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 O-C-N 123.25 0.344 . . . . 25.289999999999999 110.783 175.619 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.69 -46.33 77.66 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.029 0.381 . . . . 26.09 112.029 177.335 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 27' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -59.08 -42.57 90.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.939 -0.573 . . . . 67.140000000000001 110.336 179.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -36.37 83.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 32.579999999999998 110.876 -178.598 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -73.81 -31.73 63.39 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 116.499 -0.319 . . . . 47.100000000000001 111.402 -179.047 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 30' ' ' LYS . . . . . . . . . . . . . 28.2 mttt -55.86 -44.41 78.06 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.434 -0.348 . . . . 69.069999999999993 110.907 178.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 31' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.432 0 CA-C-N 116.111 -0.495 . . . . 80.430000000000007 112.829 179.808 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' GOL . . . . . 0.453 ' O1 ' ' O1 ' ' G' ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 101' ' ' GOL . . . . . 0.494 ' O3 ' ' O3 ' ' G' ' 102' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 101' ' ' GOL . . . . . 0.453 ' O1 ' ' O1 ' ' B' ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 102' ' ' GOL . . . . . 0.494 ' O3 ' ' O3 ' ' F' ' 101' ' ' GOL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . 0.533 ' O ' ' HG3' ' C' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . 0.475 ' O ' ' HG3' ' A' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 214' ' ' HOH . . . . . 0.433 ' O ' ' OE2' ' B' ' 10' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 107' ' ' HOH . . . . . 0.414 ' O ' ' HG2' ' E' ' 27' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 206' ' ' HOH . . . . . 0.541 ' O ' ' NZ ' ' F' ' 9' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 210' ' ' HOH . . . . . 0.556 ' O ' ' HG2' ' F' ' 6' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' F' F ' 212' ' ' HOH . . . . . 0.445 ' O ' ' HE3' ' F' ' 30' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' F' F ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' G' G ' 211' ' ' HOH . . . . . 0.728 ' O ' ' NZ ' ' G' ' 16' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' G' G ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_