data_4zzd_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 4zzd _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 ' 5' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo . . . . . 0 CA--C 1.531 0.327 0 N-CA-C 111.273 -0.318 . . . . 80.37 111.273 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -55.07 -43.72 74.13 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 114.596 1.332 . . . . 126.42 114.596 -169.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -87.5 -9.19 55.21 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 114.024 1.12 . . . . 120.09 114.024 -171.184 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.6 ttp -79.33 -42.88 24.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.672 0.273 . . . . 80.63 111.482 167.62 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.5 tp -58.68 -41.37 86.04 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.32 0.581 . . . . 68.02 110.892 172.428 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 tpt85 -57.84 -49.83 75.36 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.592 -0.731 . . . . 91.92 110.464 175.786 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.85 92.68 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.188 0.518 . . . . 32.79 111.915 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -59.7 -42.71 93.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 39.66 112.004 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.8 m -67.91 -37.52 81.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.166 0.508 . . . . 33.67 110.076 -177.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -58.37 -51.34 70.22 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.722 0.772 . . . . 66.41 111.974 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.59 -42.1 83.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.234 -0.894 . . . . 36.91 111.498 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.95 -50.11 72.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.013 -0.994 . . . . 29.58 110.904 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 77.3 mt -57.92 -44.3 86.78 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.36 0.664 . . . . 27.07 111.777 177.651 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.31 -40.29 96.92 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.992 -0.683 . . . . 32.76 111.533 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -66.72 -35.94 81.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.751 1.389 . . . . 39.27 114.751 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.6 -49.98 80.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.0 0.429 . . . . 29.29 109.891 171.852 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.04 -32.99 74.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.709 . . . . 40.5 111.268 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -61.56 -36.79 81.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.132 -0.627 . . . . 50.8 110.779 176.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -65.95 -30.36 70.92 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.915 0.709 . . . . 62.3 112.915 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.05 157.23 12.0 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 119.742 -0.476 . . . . 40.46 113.08 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -55.48 143.79 28.1 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 107.984 -1.117 . . . . 34.86 107.984 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.32 165.95 35.06 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.898 -0.321 . . . . 31.15 110.934 -175.237 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -116.05 160.72 19.91 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 109.457 -0.572 . . . . 56.16 109.457 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.9 t -48.8 -49.35 14.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 113.84 1.052 . . . . 38.41 113.84 -166.38 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -66.35 -39.64 89.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.529 -0.305 . . . . 89.57 110.505 -177.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.42 -42.55 99.8 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.201 -0.523 . . . . 37.29 111.833 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.96 -46.78 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.988 0.915 . . . . 40.36 110.902 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.23 -38.17 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.766 -0.652 . . . . 35.59 111.759 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -65.9 -48.21 72.21 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.24 0.543 . . . . 87.12 111.692 176.102 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -61.44 -40.33 94.08 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.769 -0.65 . . . . 78.72 110.991 -179.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.48 -37.4 70.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.327 -0.949 . . . . 35.82 110.846 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -65.65 -37.76 87.46 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.426 -0.51 . . . . 75.76 111.902 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.89 -49.26 53.9 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.897 0.379 . . . . 95.66 110.72 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.08 -16.62 64.09 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.511 0.559 . . . . 40.88 112.511 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.3 p -103.16 16.34 26.86 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.59 -0.277 . . . . 41.49 110.847 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m120 46.2 31.4 1.19 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.393 -0.367 . . . . 70.65 111.876 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.01 -15.24 63.59 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 115.388 0.915 . . . . 49.9 115.388 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.72 -17.56 63.46 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.904 1.075 . . . . 96.41 113.904 -174.913 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.6 ttt -127.31 102.42 6.9 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 113.667 0.988 . . . . 93.49 113.667 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -110.52 99.83 8.75 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.64 -0.709 . . . . 101.04 111.143 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.81 141.15 46.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.808 0.814 . . . . 39.25 111.934 -177.554 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.75 136.73 39.03 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 114.123 -1.399 . . . . 88.31 110.446 172.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -47.74 -41.49 23.16 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 116.197 -0.456 . . . . 68.33 111.694 176.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.27 68.31 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.633 -0.712 . . . . 33.5 111.009 -172.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.8 m -56.71 -41.33 77.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.807 -0.812 . . . . 38.86 108.807 175.396 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.72 -39.08 93.03 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.051 -0.66 . . . . 40.77 111.956 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -66.18 -39.19 89.52 Favored 'General case' 0 CA--C 1.509 -0.6 0 C-N-CA 120.448 -0.501 . . . . 69.9 111.121 -179.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.4 m -60.84 -49.31 78.0 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.218 -0.593 . . . . 34.37 109.598 177.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.2 mt -68.43 -41.46 83.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.171 -0.33 . . . . 28.3 111.649 -175.813 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -68.67 -32.31 72.04 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.658 0.984 . . . . 36.77 113.658 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -60.74 -42.16 96.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.085 -1.046 . . . . 55.81 110.985 174.384 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -70.38 -41.91 72.44 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.951 0.723 . . . . 114.42 112.951 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.38 -34.17 77.36 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.441 0.534 . . . . 28.26 112.441 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -69.39 -49.56 54.22 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.04 -0.726 . . . . 58.56 109.04 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -51.08 -40.87 59.37 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.86 -1.064 . . . . 76.1 111.684 176.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -86.83 4.01 42.94 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 112.86 0.689 . . . . 44.83 112.86 -177.518 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.07 4.6 86.37 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 114.447 0.539 . . . . 33.81 114.447 174.41 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.6 mm -75.16 -32.58 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.952 0.376 . . . . 43.08 111.69 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.6 pt -131.13 167.08 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 C-N-CA 120.216 -0.594 . . . . 26.96 109.938 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -136.89 170.39 16.17 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.562 0.539 . . . . 40.28 109.84 168.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.0 p -132.47 158.34 42.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 113.701 1.0 . . . . 27.27 113.701 -176.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -160.93 165.56 29.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.616 -0.72 . . . . 37.28 109.965 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -90.83 141.91 28.31 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.844 0.683 . . . . 56.67 112.844 -176.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.81 179.65 46.74 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 116.76 -0.2 . . . . 66.56 112.625 167.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.234 0.259 0 O-C-N 122.196 -0.591 . . . . 103.71 112.337 -176.34 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 114.522 1.305 . . . . 90.58 114.522 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -94.55 119.19 32.85 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 113.066 0.765 . . . . 56.19 113.066 -168.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -98.22 144.14 27.98 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 112.758 0.651 . . . . 66.26 112.758 175.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -114.15 152.45 31.14 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.851 -1.068 . . . . 43.71 110.504 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 53.5 ttp85 -142.34 137.01 30.23 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.836 -1.074 . . . . 43.91 108.376 -168.071 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.12 125.75 29.6 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 108.083 -1.08 . . . . 37.02 108.083 171.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.9 p -76.11 174.2 10.36 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.665 -0.647 . . . . 34.39 112.743 175.528 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.87 -47.78 81.73 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.92 -0.582 . . . . 106.96 110.529 175.026 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.11 -48.88 81.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 108.2 -1.037 . . . . 66.21 108.2 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.04 -49.54 42.46 Favored Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.203 -0.908 . . . . 34.56 113.84 179.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -59.23 -43.76 92.34 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.079 0.77 . . . . 46.75 113.079 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . 0.465 ' OE2' ' NE ' ' A' ' 90' ' ' ARG . 20.9 tp10 -71.52 -39.55 70.68 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.715 -0.476 . . . . 77.74 109.715 -174.626 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -60.53 -38.84 85.73 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.29 -0.564 . . . . 65.24 112.181 174.631 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 34.2 mtp -63.99 -42.91 97.05 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.234 -0.586 . . . . 47.07 110.362 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ARG . . . . . 0.564 ' NH1' ' OE2' ' A' ' 94' ' ' GLU . 41.4 ttp85 -62.83 -49.0 76.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.515 0.51 . . . . 69.61 110.478 -177.051 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.18 -40.88 74.62 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.304 0.642 . . . . 76.1 112.161 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.98 -42.62 80.54 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.125 0.57 . . . . 42.72 111.829 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -68.03 -38.36 82.44 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.82 -0.627 . . . . 65.71 111.472 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' GLU . . . . . 0.564 ' OE2' ' NH1' ' A' ' 90' ' ' ARG . 45.5 mt-10 -63.24 -53.42 53.3 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.983 -1.008 . . . . 100.51 111.785 178.113 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.3 p -68.77 -43.12 76.42 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.401 -0.52 . . . . 44.82 111.381 -177.111 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -61.44 -28.85 69.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 118.925 -1.11 . . . . 38.15 112.912 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -34.25 71.12 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 111.815 0.302 . . . . 59.8 111.815 175.641 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -62.09 -45.79 91.92 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.615 0.722 . . . . 79.13 110.245 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.9 t -55.69 -42.23 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 114.794 -1.094 . . . . 39.77 110.308 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -67.0 -34.21 77.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 80.3 110.968 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -77.56 -37.69 50.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.148 0.499 . . . . 81.12 110.878 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 41.1 mt -58.62 -46.77 90.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 CA-C-O 121.07 0.462 . . . . 41.13 109.928 173.755 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.8 mt -61.59 -37.38 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.584 -0.735 . . . . 53.63 110.901 178.43 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.93 -40.16 92.15 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.518 0.562 . . . . 131.0 112.518 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -69.63 -25.52 63.97 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 114.157 1.169 . . . . 62.6 114.157 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.52 -33.55 60.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.4 -0.52 . . . . 56.86 111.429 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.63 -46.1 60.1 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.198 0.444 . . . . 117.95 112.198 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.511 -0.313 . . . . 92.37 111.123 171.302 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' RBF . . . . . 0.588 " O4'" ' N1 ' ' A' ' 201' ' ' RBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo . . . . . 0 CA--C 1.531 0.327 0 N-CA-C 111.273 -0.318 . . . . 80.370000000000005 111.273 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -55.07 -43.72 74.13 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 114.596 1.332 . . . . 126.42 114.596 -169.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -87.5 -9.19 55.21 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 114.024 1.12 . . . . 120.09 114.024 -171.184 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.6 ttp -79.33 -42.88 24.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.672 0.273 . . . . 80.629999999999995 111.482 167.62 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.5 tp -58.68 -41.37 86.04 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.32 0.581 . . . . 68.019999999999996 110.892 172.428 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 tpt85 -57.84 -49.83 75.36 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.592 -0.731 . . . . 91.920000000000002 110.464 175.786 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.85 92.68 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.188 0.518 . . . . 32.789999999999999 111.915 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -59.7 -42.71 93.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 39.659999999999997 112.004 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 40.8 m -67.91 -37.52 81.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.166 0.508 . . . . 33.670000000000002 110.076 -177.172 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -58.37 -51.34 70.22 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.722 0.772 . . . . 66.409999999999997 111.974 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.59 -42.1 83.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.234 -0.894 . . . . 36.909999999999997 111.498 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.95 -50.11 72.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.013 -0.994 . . . . 29.579999999999998 110.904 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 13' ' ' THR . 77.3 mt -57.92 -44.3 86.78 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.36 0.664 . . . . 27.07 111.777 177.651 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.31 -40.29 96.92 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.992 -0.683 . . . . 32.759999999999998 111.533 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -66.72 -35.94 81.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.751 1.389 . . . . 39.270000000000003 114.751 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.6 -49.98 80.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.0 0.429 . . . . 29.289999999999999 109.891 171.852 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.04 -32.99 74.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.709 . . . . 40.5 111.268 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -61.56 -36.79 81.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.132 -0.627 . . . . 50.799999999999997 110.779 176.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -65.95 -30.36 70.92 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.915 0.709 . . . . 62.299999999999997 112.915 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.05 157.23 12.0 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 119.742 -0.476 . . . . 40.460000000000001 113.08 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -55.48 143.79 28.1 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 107.984 -1.117 . . . . 34.859999999999999 107.984 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.32 165.95 35.06 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.898 -0.321 . . . . 31.149999999999999 110.934 -175.237 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -116.05 160.72 19.91 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 109.457 -0.572 . . . . 56.159999999999997 109.457 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.9 t -48.8 -49.35 14.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 113.84 1.052 . . . . 38.409999999999997 113.84 -166.38 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -66.35 -39.64 89.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.529 -0.305 . . . . 89.569999999999993 110.505 -177.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.42 -42.55 99.8 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.201 -0.523 . . . . 37.289999999999999 111.833 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.96 -46.78 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.988 0.915 . . . . 40.359999999999999 110.902 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.23 -38.17 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.766 -0.652 . . . . 35.590000000000003 111.759 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -65.9 -48.21 72.21 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.24 0.543 . . . . 87.120000000000005 111.692 176.102 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -61.44 -40.33 94.08 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.769 -0.65 . . . . 78.719999999999999 110.991 -179.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.48 -37.4 70.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.327 -0.949 . . . . 35.82 110.846 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -65.65 -37.76 87.46 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.426 -0.51 . . . . 75.760000000000005 111.902 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.89 -49.26 53.9 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.897 0.379 . . . . 95.659999999999997 110.72 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.08 -16.62 64.09 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.511 0.559 . . . . 40.880000000000003 112.511 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.3 p -103.16 16.34 26.86 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.59 -0.277 . . . . 41.490000000000002 110.847 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m120 46.2 31.4 1.19 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.393 -0.367 . . . . 70.650000000000006 111.876 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.01 -15.24 63.59 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 115.388 0.915 . . . . 49.899999999999999 115.388 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.72 -17.56 63.46 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.904 1.075 . . . . 96.409999999999997 113.904 -174.913 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.6 ttt -127.31 102.42 6.9 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 113.667 0.988 . . . . 93.489999999999995 113.667 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -110.52 99.83 8.75 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.64 -0.709 . . . . 101.04000000000001 111.143 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.81 141.15 46.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.808 0.814 . . . . 39.25 111.934 -177.554 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.75 136.73 39.03 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 114.123 -1.399 . . . . 88.310000000000002 110.446 172.04 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 59.9 tt0 -47.74 -41.49 23.16 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 116.197 -0.456 . . . . 68.329999999999998 111.694 176.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.27 68.31 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.633 -0.712 . . . . 33.5 111.009 -172.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.8 m -56.71 -41.33 77.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.807 -0.812 . . . . 38.859999999999999 108.807 175.396 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.72 -39.08 93.03 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.051 -0.66 . . . . 40.770000000000003 111.956 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' TYR . . . . . 0.525 ' CE2' ' HG2' ' A' ' 47' ' ' GLU . 26.9 m-85 -66.18 -39.19 89.52 Favored 'General case' 0 CA--C 1.509 -0.6 0 C-N-CA 120.448 -0.501 . . . . 69.900000000000006 111.121 -179.957 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.4 m -60.84 -49.31 78.0 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.218 -0.593 . . . . 34.369999999999997 109.598 177.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.2 mt -68.43 -41.46 83.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.171 -0.33 . . . . 28.300000000000001 111.649 -175.813 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -68.67 -32.31 72.04 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.658 0.984 . . . . 36.770000000000003 113.658 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -60.74 -42.16 96.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.085 -1.046 . . . . 55.810000000000002 110.985 174.384 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ARG . . . . . 0.546 HH11 ' HZ3' ' A' ' 59' ' ' LYS . 22.5 tpt180 -70.38 -41.91 72.44 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.951 0.723 . . . . 114.42 112.951 179.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.38 -34.17 77.36 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.441 0.534 . . . . 28.260000000000002 112.441 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -69.39 -49.56 54.22 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.04 -0.726 . . . . 58.560000000000002 109.04 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' LYS . . . . . 0.546 ' HZ3' HH11 ' A' ' 56' ' ' ARG . 1.2 tttt -51.08 -40.87 59.37 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.86 -1.064 . . . . 76.099999999999994 111.684 176.899 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -86.83 4.01 42.94 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 112.86 0.689 . . . . 44.829999999999998 112.86 -177.518 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.07 4.6 86.37 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 114.447 0.539 . . . . 33.810000000000002 114.447 174.41 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.6 mm -75.16 -32.58 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.952 0.376 . . . . 43.079999999999998 111.69 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.6 pt -131.13 167.08 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 C-N-CA 120.216 -0.594 . . . . 26.960000000000001 109.938 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -136.89 170.39 16.17 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.562 0.539 . . . . 40.280000000000001 109.84 168.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.0 p -132.47 158.34 42.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 113.701 1.0 . . . . 27.27 113.701 -176.751 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -160.93 165.56 29.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.616 -0.72 . . . . 37.280000000000001 109.965 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -90.83 141.91 28.31 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.844 0.683 . . . . 56.670000000000002 112.844 -176.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.81 179.65 46.74 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 116.76 -0.2 . . . . 66.560000000000002 112.625 167.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.234 0.259 0 O-C-N 122.196 -0.591 . . . . 103.70999999999999 112.337 -176.34 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 114.522 1.305 . . . . 90.579999999999998 114.522 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -94.55 119.19 32.85 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 113.066 0.765 . . . . 56.189999999999998 113.066 -168.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -98.22 144.14 27.98 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 112.758 0.651 . . . . 66.260000000000005 112.758 175.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -114.15 152.45 31.14 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.851 -1.068 . . . . 43.710000000000001 110.504 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ARG . . . . . 0.662 ' HD2' ' O ' ' A' ' 306' ' ' HOH . 53.5 ttp85 -142.34 137.01 30.23 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.836 -1.074 . . . . 43.909999999999997 108.376 -168.071 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.12 125.75 29.6 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 108.083 -1.08 . . . . 37.020000000000003 108.083 171.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.9 p -76.11 174.2 10.36 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.665 -0.647 . . . . 34.390000000000001 112.743 175.528 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.87 -47.78 81.73 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.92 -0.582 . . . . 106.95999999999999 110.529 175.026 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.11 -48.88 81.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 108.2 -1.037 . . . . 66.209999999999994 108.2 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.04 -49.54 42.46 Favored Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.203 -0.908 . . . . 34.560000000000002 113.84 179.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -59.23 -43.76 92.34 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.079 0.77 . . . . 46.75 113.079 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 90' ' ' ARG . 20.9 tp10 -71.52 -39.55 70.68 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.715 -0.476 . . . . 77.739999999999995 109.715 -174.626 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -60.53 -38.84 85.73 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.29 -0.564 . . . . 65.239999999999995 112.181 174.631 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 34.2 mtp -63.99 -42.91 97.05 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.234 -0.586 . . . . 47.07 110.362 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ARG . . . . . 0.564 ' NH1' ' OE2' ' A' ' 94' ' ' GLU . 41.4 ttp85 -62.83 -49.0 76.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.515 0.51 . . . . 69.609999999999999 110.478 -177.051 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.18 -40.88 74.62 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.304 0.642 . . . . 76.099999999999994 112.161 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.98 -42.62 80.54 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.125 0.57 . . . . 42.719999999999999 111.829 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -68.03 -38.36 82.44 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.82 -0.627 . . . . 65.709999999999994 111.472 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' GLU . . . . . 0.564 ' OE2' ' NH1' ' A' ' 90' ' ' ARG . 45.5 mt-10 -63.24 -53.42 53.3 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.983 -1.008 . . . . 100.51000000000001 111.785 178.113 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.3 p -68.77 -43.12 76.42 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.401 -0.52 . . . . 44.82 111.381 -177.111 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -61.44 -28.85 69.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 118.925 -1.11 . . . . 38.149999999999999 112.912 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -34.25 71.12 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 111.815 0.302 . . . . 59.799999999999997 111.815 175.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -62.09 -45.79 91.92 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.615 0.722 . . . . 79.129999999999995 110.245 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.9 t -55.69 -42.23 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 114.794 -1.094 . . . . 39.770000000000003 110.308 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -67.0 -34.21 77.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 80.299999999999997 110.968 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -77.56 -37.69 50.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.148 0.499 . . . . 81.120000000000005 110.878 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 41.1 mt -58.62 -46.77 90.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 CA-C-O 121.07 0.462 . . . . 41.130000000000003 109.928 173.755 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.8 mt -61.59 -37.38 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.584 -0.735 . . . . 53.630000000000003 110.901 178.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.93 -40.16 92.15 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.518 0.562 . . . . 131.0 112.518 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -69.63 -25.52 63.97 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 114.157 1.169 . . . . 62.600000000000001 114.157 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.52 -33.55 60.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.4 -0.52 . . . . 56.859999999999999 111.429 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.63 -46.1 60.1 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.198 0.444 . . . . 117.95 112.198 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.511 -0.313 . . . . 92.370000000000005 111.123 171.302 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' RBF . . . . . 0.575 " O4'" ' HC9' ' A' ' 201' ' ' RBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . 0.662 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo . . . . . 0 CA--C 1.531 0.327 0 N-CA-C 111.273 -0.318 . . . . 80.370000000000005 111.273 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -55.07 -43.72 74.13 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 114.596 1.332 . . . . 126.42 114.596 -169.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -87.5 -9.19 55.21 Favored 'General case' 0 C--O 1.238 0.491 0 N-CA-C 114.024 1.12 . . . . 120.09 114.024 -171.184 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.6 ttp -79.33 -42.88 24.67 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.672 0.273 . . . . 80.629999999999995 111.482 167.62 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 43.5 tp -58.68 -41.37 86.04 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.32 0.581 . . . . 68.019999999999996 110.892 172.428 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.0 tpt85 -57.84 -49.83 75.36 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.592 -0.731 . . . . 91.920000000000002 110.464 175.786 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.38 -44.85 92.68 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.188 0.518 . . . . 32.789999999999999 111.915 177.876 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -59.7 -42.71 93.61 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.668 -0.696 . . . . 39.659999999999997 112.004 178.889 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' THR . . . . . 0.546 ' O ' ' HG ' ' A' ' 17' ' ' LEU . 40.8 m -67.91 -37.52 81.81 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.166 0.508 . . . . 33.670000000000002 110.076 -177.172 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -58.37 -51.34 70.22 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.722 0.772 . . . . 66.409999999999997 111.974 177.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 73.8 t -58.59 -42.1 83.86 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-N 115.234 -0.894 . . . . 36.909999999999997 111.498 179.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 58.6 mt -65.95 -50.11 72.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.013 -0.994 . . . . 29.579999999999998 110.904 -179.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 13' ' ' THR . 77.3 mt -57.92 -44.3 86.78 Favored 'General case' 0 N--CA 1.465 0.275 0 C-N-CA 123.36 0.664 . . . . 27.07 111.777 177.651 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 81.1 mt -63.31 -40.29 96.92 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.992 -0.683 . . . . 32.759999999999998 111.533 177.355 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -66.72 -35.94 81.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 114.751 1.389 . . . . 39.270000000000003 114.751 177.448 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.9 t -58.6 -49.98 80.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.0 0.429 . . . . 29.289999999999999 109.891 171.852 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 18.6 mt -63.04 -32.99 74.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.641 -0.709 . . . . 40.5 111.268 -179.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -61.56 -36.79 81.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 120.132 -0.627 . . . . 50.799999999999997 110.779 176.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -65.95 -30.36 70.92 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 112.915 0.709 . . . . 62.299999999999997 112.915 176.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.05 157.23 12.0 Favored Glycine 0 CA--C 1.535 1.311 0 CA-C-O 119.742 -0.476 . . . . 40.460000000000001 113.08 178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -55.48 143.79 28.1 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 107.984 -1.117 . . . . 34.859999999999999 107.984 173.135 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -155.32 165.95 35.06 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 120.898 -0.321 . . . . 31.149999999999999 110.934 -175.237 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 24.5 p90 -116.05 160.72 19.91 Favored 'General case' 0 C--O 1.243 0.742 0 N-CA-C 109.457 -0.572 . . . . 56.159999999999997 109.457 177.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 78.9 t -48.8 -49.35 14.93 Favored 'Isoleucine or valine' 0 C--O 1.239 0.522 0 N-CA-C 113.84 1.052 . . . . 38.409999999999997 113.84 -166.38 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -66.35 -39.64 89.3 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.529 -0.305 . . . . 89.569999999999993 110.505 -177.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.42 -42.55 99.8 Favored Glycine 0 CA--C 1.524 0.609 0 C-N-CA 121.201 -0.523 . . . . 37.289999999999999 111.833 178.89 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 96.3 mt -61.96 -46.78 95.73 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 C-N-CA 123.988 0.915 . . . . 40.359999999999999 110.902 178.771 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 84.9 mt -61.23 -38.17 79.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.766 -0.652 . . . . 35.590000000000003 111.759 179.865 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -65.9 -48.21 72.21 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 121.24 0.543 . . . . 87.120000000000005 111.692 176.102 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -61.44 -40.33 94.08 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.769 -0.65 . . . . 78.719999999999999 110.991 -179.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -70.48 -37.4 70.09 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 C-N-CA 119.327 -0.949 . . . . 35.82 110.846 -179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -65.65 -37.76 87.46 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 120.426 -0.51 . . . . 75.760000000000005 111.902 178.356 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -69.89 -49.26 53.9 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-O 120.897 0.379 . . . . 95.659999999999997 110.72 179.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.08 -16.62 64.09 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 112.511 0.559 . . . . 40.880000000000003 112.511 -179.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.3 p -103.16 16.34 26.86 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.59 -0.277 . . . . 41.490000000000002 110.847 -179.039 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.5 m120 46.2 31.4 1.19 Allowed 'General case' 0 C--O 1.233 0.228 0 CA-C-N 116.393 -0.367 . . . . 70.650000000000006 111.876 -175.911 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.01 -15.24 63.59 Favored Glycine 0 C--N 1.333 0.408 0 N-CA-C 115.388 0.915 . . . . 49.899999999999999 115.388 174.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -69.72 -17.56 63.46 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 113.904 1.075 . . . . 96.409999999999997 113.904 -174.913 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 2.6 ttt -127.31 102.42 6.9 Favored 'General case' 0 C--O 1.235 0.3 0 N-CA-C 113.667 0.988 . . . . 93.489999999999995 113.667 -177.065 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -110.52 99.83 8.75 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 115.64 -0.709 . . . . 101.04000000000001 111.143 178.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.1 mt -73.81 141.15 46.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.808 0.814 . . . . 39.25 111.934 -177.554 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -76.75 136.73 39.03 Favored 'General case' 0 C--O 1.239 0.551 0 CA-C-N 114.123 -1.399 . . . . 88.310000000000002 110.446 172.04 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.525 ' HG2' ' CE2' ' A' ' 51' ' ' TYR . 59.9 tt0 -47.74 -41.49 23.16 Favored 'General case' 0 C--O 1.242 0.71 0 CA-C-N 116.197 -0.456 . . . . 68.329999999999998 111.694 176.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.51 -36.27 68.31 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 115.633 -0.712 . . . . 33.5 111.009 -172.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 61.8 m -56.71 -41.33 77.24 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.807 -0.812 . . . . 38.859999999999999 108.807 175.396 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.72 -39.08 93.03 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 120.051 -0.66 . . . . 40.770000000000003 111.956 -179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.525 ' CE2' ' HG2' ' A' ' 47' ' ' GLU . 26.9 m-85 -66.18 -39.19 89.52 Favored 'General case' 0 CA--C 1.509 -0.6 0 C-N-CA 120.448 -0.501 . . . . 69.900000000000006 111.121 -179.957 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.4 m -60.84 -49.31 78.0 Favored 'General case' 0 C--O 1.22 -0.471 0 C-N-CA 120.218 -0.593 . . . . 34.369999999999997 109.598 177.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 91.2 mt -68.43 -41.46 83.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 122.171 -0.33 . . . . 28.300000000000001 111.649 -175.813 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 16.4 m-30 -68.67 -32.31 72.04 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 113.658 0.984 . . . . 36.770000000000003 113.658 178.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 tttm -60.74 -42.16 96.83 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.085 -1.046 . . . . 55.810000000000002 110.985 174.384 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.546 HH11 ' HZ3' ' A' ' 59' ' ' LYS . 22.5 tpt180 -70.38 -41.91 72.44 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 112.951 0.723 . . . . 114.42 112.951 179.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 92.7 mt -66.38 -34.17 77.36 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.441 0.534 . . . . 28.260000000000002 112.441 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -69.39 -49.56 54.22 Favored 'General case' 0 N--CA 1.463 0.217 0 N-CA-C 109.04 -0.726 . . . . 58.560000000000002 109.04 -178.639 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.546 ' HZ3' HH11 ' A' ' 56' ' ' ARG . 1.2 tttt -51.08 -40.87 59.37 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.86 -1.064 . . . . 76.099999999999994 111.684 176.899 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -86.83 4.01 42.94 Favored 'General case' 0 C--O 1.225 -0.229 0 N-CA-C 112.86 0.689 . . . . 44.829999999999998 112.86 -177.518 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 78.07 4.6 86.37 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 114.447 0.539 . . . . 33.810000000000002 114.447 174.41 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 17.6 mm -75.16 -32.58 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 116.952 0.376 . . . . 43.079999999999998 111.69 -177.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.6 pt -131.13 167.08 26.97 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 C-N-CA 120.216 -0.594 . . . . 26.960000000000001 109.938 172.17 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.6 p -136.89 170.39 16.17 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 123.562 0.539 . . . . 40.280000000000001 109.84 168.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 92.0 p -132.47 158.34 42.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 113.701 1.0 . . . . 27.27 113.701 -176.751 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -160.93 165.56 29.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.616 -0.72 . . . . 37.280000000000001 109.965 175.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' TRP . . . . . . . . . . . . . 81.2 m95 -90.83 141.91 28.31 Favored 'General case' 0 C--O 1.239 0.532 0 N-CA-C 112.844 0.683 . . . . 56.670000000000002 112.844 -176.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.81 179.65 46.74 Favored Glycine 0 CA--C 1.533 1.188 0 CA-C-N 116.76 -0.2 . . . . 66.560000000000002 112.625 167.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 . . . . . 0 C--O 1.234 0.259 0 O-C-N 122.196 -0.591 . . . . 103.70999999999999 112.337 -176.34 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 30.7 ttm180 . . . . . 0 CA--C 1.54 0.584 0 N-CA-C 114.522 1.305 . . . . 90.579999999999998 114.522 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -94.55 119.19 32.85 Favored 'General case' 0 C--O 1.242 0.707 0 N-CA-C 113.066 0.765 . . . . 56.189999999999998 113.066 -168.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -98.22 144.14 27.98 Favored 'General case' 0 C--O 1.243 0.716 0 N-CA-C 112.758 0.651 . . . . 66.260000000000005 112.758 175.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -114.15 152.45 31.14 Favored 'General case' 0 C--O 1.246 0.892 0 CA-C-N 114.851 -1.068 . . . . 43.710000000000001 110.504 178.525 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.662 ' HD2' ' O ' ' A' ' 306' ' ' HOH . 53.5 ttp85 -142.34 137.01 30.23 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 114.836 -1.074 . . . . 43.909999999999997 108.376 -168.071 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 tp -75.12 125.75 29.6 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 108.083 -1.08 . . . . 37.020000000000003 108.083 171.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 66.9 p -76.11 174.2 10.36 Favored 'General case' 0 N--CA 1.477 0.881 0 O-C-N 121.665 -0.647 . . . . 34.390000000000001 112.743 175.528 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -57.87 -47.78 81.73 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.92 -0.582 . . . . 106.95999999999999 110.529 175.026 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.5 mt -57.11 -48.88 81.19 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 108.2 -1.037 . . . . 66.209999999999994 108.2 176.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -51.04 -49.54 42.46 Favored Glycine 0 CA--C 1.523 0.56 0 CA-C-N 115.203 -0.908 . . . . 34.560000000000002 113.84 179.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -59.23 -43.76 92.34 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.079 0.77 . . . . 46.75 113.079 176.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.436 ' OE2' ' NE ' ' A' ' 90' ' ' ARG . 20.9 tp10 -71.52 -39.55 70.68 Favored 'General case' 0 CA--C 1.517 -0.298 0 N-CA-C 109.715 -0.476 . . . . 77.739999999999995 109.715 -174.626 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -60.53 -38.84 85.73 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.29 -0.564 . . . . 65.239999999999995 112.181 174.631 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' MET . . . . . . . . . . . . . 34.2 mtp -63.99 -42.91 97.05 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.234 -0.586 . . . . 47.07 110.362 178.028 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.564 ' NH1' ' OE2' ' A' ' 94' ' ' GLU . 41.4 ttp85 -62.83 -49.0 76.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.515 0.51 . . . . 69.609999999999999 110.478 -177.051 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.2 mt -56.18 -40.88 74.62 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.304 0.642 . . . . 76.099999999999994 112.161 176.25 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.98 -42.62 80.54 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.125 0.57 . . . . 42.719999999999999 111.829 -179.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -68.03 -38.36 82.44 Favored 'General case' 0 C--O 1.24 0.598 0 CA-C-N 115.82 -0.627 . . . . 65.709999999999994 111.472 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.564 ' OE2' ' NH1' ' A' ' 90' ' ' ARG . 45.5 mt-10 -63.24 -53.42 53.3 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.983 -1.008 . . . . 100.51000000000001 111.785 178.113 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.3 p -68.77 -43.12 76.42 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.401 -0.52 . . . . 44.82 111.381 -177.111 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 73.3 m95 -61.44 -28.85 69.57 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 118.925 -1.11 . . . . 38.149999999999999 112.912 176.276 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.02 -34.25 71.12 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 111.815 0.302 . . . . 59.799999999999997 111.815 175.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.3 mtm-85 -62.09 -45.79 91.92 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-O 121.615 0.722 . . . . 79.129999999999995 110.245 171.383 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 15.9 t -55.69 -42.23 68.57 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-N 114.794 -1.094 . . . . 39.770000000000003 110.308 178.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 -67.0 -34.21 77.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.381 -0.372 . . . . 80.299999999999997 110.968 -176.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -77.56 -37.69 50.08 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.148 0.499 . . . . 81.120000000000005 110.878 179.562 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 41.1 mt -58.62 -46.77 90.07 Favored 'Isoleucine or valine' 0 C--O 1.242 0.703 0 CA-C-O 121.07 0.462 . . . . 41.130000000000003 109.928 173.755 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 43.8 mt -61.59 -37.38 77.75 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 CA-C-N 115.584 -0.735 . . . . 53.630000000000003 110.901 178.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -60.93 -40.16 92.15 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 112.518 0.562 . . . . 131.0 112.518 175.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -69.63 -25.52 63.97 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 114.157 1.169 . . . . 62.600000000000001 114.157 177.593 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.2 mt -75.52 -33.55 60.74 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.4 -0.52 . . . . 56.859999999999999 111.429 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -71.63 -46.1 60.1 Favored 'General case' 0 CA--C 1.538 0.501 0 N-CA-C 112.198 0.444 . . . . 117.95 112.198 178.891 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.511 -0.313 . . . . 92.370000000000005 111.123 171.302 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' RBF . . . . . 0.575 " O4'" ' HC9' ' A' ' 201' ' ' RBF . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 304' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . 0.662 ' O ' ' HD2' ' A' ' 80' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 307' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 308' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 310' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 313' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 314' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_