data_1cea_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 1cea _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' A GLU . . . . . . . . . . . . 0.301 1.2 mm-40 . . . . . 0 C--O 1.255 1.372 0 N-CA-C 109.025 -0.732 . . . . 42.37 109.025 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.8 p -94.31 173.52 7.59 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 128.355 3.931 . . . . 33.09 109.623 177.835 52.357 88.654 36.669 110.197 1.972 115.946 24.605 -125.113 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' LYS . . . . . 0.751 ' CD ' ' O ' ' A' ' 310' ' ' HOH 0.466 6.2 ttpt -114.69 130.71 56.85 Favored 'General case' 0 C--O 1.266 1.934 2 C-N-CA 134.774 5.23 . . . . 28.42 116.925 -176.097 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t -118.91 139.9 50.88 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 114.368 -2.933 . . . . 29.97 108.418 170.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.11 -116.48 6.3 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 126.853 2.168 . . . . 27.68 108.925 -178.53 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASN . . . . . 0.697 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -97.23 3.59 51.35 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 130.043 3.337 . . . . 30.35 113.967 177.588 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.98 22.54 78.44 Favored Glycine 0 CA--C 1.485 -1.836 1 C-N-CA 132.492 4.853 . . . . 23.83 122.523 177.526 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' LYS . . . . . 0.541 ' O ' ' NH1' ' A' ' 10' ' ' ARG . 51.1 tptt -44.46 -43.27 7.7 Favored 'General case' 0 C--O 1.26 1.619 0 O-C-N 118.045 -3.032 . . . . 24.22 116.7 179.542 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -94.33 7.09 46.63 Favored 'General case' 0 C--O 1.273 2.316 0 O-C-N 118.655 -2.528 . . . . 25.47 114.184 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' TYR . . . . . 0.449 ' O ' ' CD ' ' A' ' 10' ' ' ARG . 87.5 t80 -63.11 125.99 25.88 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 126.301 2.953 . . . . 17.66 111.445 -178.378 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ARG . . . . . 0.541 ' NH1' ' O ' ' A' ' 7' ' ' LYS . 33.0 mmt-85 -142.23 45.37 1.65 Allowed 'General case' 0 CA--C 1.564 1.504 0 O-C-N 118.674 -2.517 . . . . 26.46 109.042 -177.427 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.26 -178.98 48.49 Favored Glycine 0 C--O 1.275 2.714 1 O-C-N 129.138 4.024 . . . . 19.44 107.615 174.399 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' THR . . . . . 0.645 ' O ' ' O ' ' A' ' 230' ' ' HOH . 50.0 p -112.54 26.81 10.19 Favored 'General case' 0 C--O 1.265 1.883 0 CA-C-O 113.884 -2.96 . . . . 20.31 116.807 -178.498 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' MET . . . . . 0.446 ' CE ' ' O ' ' A' ' 15' ' ' LYS . 1.6 mmm -69.36 134.89 49.62 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 100.781 -3.785 . . . . 30.61 100.781 177.683 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 82.2 p -125.26 4.91 7.78 Favored 'General case' 0 C--O 1.248 0.983 0 O-C-N 127.781 3.176 . . . . 15.88 112.697 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . 0.641 ' NZ ' ' CB ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.38 154.19 39.33 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 127.236 2.214 . . . . 26.91 111.692 -177.978 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.0 p -81.77 178.22 8.45 Favored 'General case' 0 C--O 1.245 0.857 0 O-C-N 125.358 1.661 . . . . 15.5 111.196 -176.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -30.81 71.88 Favored 'General case' 0 C--N 1.362 1.117 1 O-C-N 129.209 4.068 . . . . 24.85 108.236 175.668 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . 0.612 ' OD1' ' OD2' ' A' ' 72' ' ' ASP . 8.1 m120 -85.5 6.15 28.2 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 116.627 2.084 . . . . 23.04 116.627 172.694 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 15' ' ' LYS . . . 84.1 -0.62 89.36 Favored Glycine 0 C--O 1.26 1.761 1 CA-C-O 112.789 -4.339 . . . . 18.85 113.717 176.286 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . 0.367 0.1 OUTLIER -79.29 133.3 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.548 1 O-C-N 130.206 4.121 . . . . 17.69 116.305 179.814 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' THR . . . . . 0.637 ' CG2' ' O ' ' A' ' 252' ' ' HOH 0.492 1.1 t -68.26 133.7 49.21 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-O 127.956 3.741 . . . . 21.34 112.663 -175.673 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.1 m -72.85 164.5 26.51 Favored 'General case' 0 C--N 1.4 2.777 0 C-N-CA 114.74 -2.784 . . . . 12.53 116.732 -176.015 -66.481 -75.276 -71.873 107.401 2.142 102.588 -172.647 65.065 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLN . . . . . 0.464 ' N ' ' O ' ' A' ' 63' ' ' TYR . 6.0 tt0 -96.93 148.48 22.91 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 128.136 3.398 . . . . 17.25 103.567 172.561 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.4 mtpt -70.55 141.75 51.84 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 103.759 -2.682 . . . . 20.49 103.759 177.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -70.27 -13.74 62.3 Favored 'General case' 0 N--CA 1.524 3.252 0 CA-C-O 123.94 1.829 . . . . 15.77 112.688 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 p -101.23 1.81 39.29 Favored 'General case' 0 C--O 1.256 1.399 0 O-C-N 120.078 -1.639 . . . . 26.42 112.007 -176.022 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.356 0.1 OUTLIER -97.92 158.87 15.28 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 126.787 2.554 . . . . 23.51 105.756 176.676 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . 0.476 ' CG2' ' CD ' ' A' ' 33' ' ' PRO 0.463 0.0 OUTLIER -125.93 44.04 2.94 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 118.417 -2.677 . . . . 23.64 108.235 175.969 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 2.0 t -163.7 139.27 5.07 Favored Pre-proline 0 C--O 1.265 1.881 0 CA-C-O 125.816 2.722 . . . . 24.79 110.909 175.742 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_endo -62.33 -26.32 3.44 Favored 'Cis proline' 0 C--N 1.376 1.986 0 N-CA-C 117.071 1.912 . . . . 19.37 117.071 -0.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 66' ' ' ASP . 26.1 m80 -110.09 133.24 53.41 Favored 'General case' 0 C--O 1.281 2.711 1 C-N-CA 134.373 5.069 . . . . 17.38 116.654 -173.098 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' CG ' ' CG2' ' A' ' 28' ' ' THR . 0.3 OUTLIER -85.29 110.87 32.32 Favored Pre-proline 1 N--CA 1.546 4.371 0 C-N-CA 116.029 -2.268 . . . . 35.01 108.264 176.245 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' PRO . . . . . 0.476 ' CD ' ' CG2' ' A' ' 28' ' ' THR . 7.2 Cg_exo -64.5 147.04 90.34 Favored 'Trans proline' 0 N--CA 1.431 -2.149 0 C-N-CA 123.186 2.591 . . . . 19.05 115.352 -175.305 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . . . -87.15 -33.14 19.5 Favored 'General case' 0 C--N 1.263 -3.185 1 C-N-CA 132.914 4.485 . . . . 21.06 108.02 174.086 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -112.81 122.98 49.27 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 111.835 -2.439 . . . . 22.61 108.793 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.2 p -164.37 173.66 3.8 Favored Pre-proline 0 C--N 1.309 -1.19 0 N-CA-C 109.639 -0.504 . . . . 17.56 109.639 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -58.13 -33.99 98.02 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 124.895 3.73 . . . . 15.95 113.406 -176.244 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.46 -30.65 71.68 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 117.919 -2.988 . . . . 22.84 110.255 -177.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . 0.923 ' CG2' ' CE1' ' A' ' 40' ' ' HIS 0.331 1.3 m -100.72 -41.41 6.91 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 130.223 3.409 . . . . 22.54 119.151 -175.084 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HIS . . . . . 0.923 ' CE1' ' CG2' ' A' ' 39' ' ' THR . 39.9 m80 -127.03 69.19 73.12 Favored Pre-proline 0 C--N 1.294 -1.806 1 C-N-CA 133.332 4.653 . . . . 18.17 113.458 -176.625 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -71.24 -17.0 31.44 Favored 'Trans proline' 0 N--CA 1.481 0.783 0 C-N-CA 122.297 1.998 . . . . 19.86 116.755 -174.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.86 21.75 13.16 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.144 0.794 . . . . 30.12 113.144 -179.471 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -111.47 0.44 16.53 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-O 113.556 -3.116 . . . . 26.08 111.676 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . 0.426 ' O ' ' NE ' ' A' ' 51' ' ' ARG . . . 55.61 47.12 79.3 Favored Glycine 1 C--O 1.312 4.976 1 O-C-N 129.117 4.011 . . . . 16.68 114.377 -179.87 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.87 76.99 10.18 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 105.617 -1.994 . . . . 18.26 105.617 -179.333 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' GLU . . . . . 0.732 ' OE2' ' NH2' ' A' ' 51' ' ' ARG 0.257 1.6 pt-20 -108.05 144.9 34.75 Favored 'General case' 0 CA--C 1.595 2.679 0 CA-C-O 123.282 1.515 . . . . 32.39 109.952 -173.376 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . 0.628 ' OE1' ' O ' ' A' ' 277' ' ' HOH . 59.7 mm-40 39.33 -128.97 0.3 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.061 -0.972 . . . . 22.54 109.354 -176.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . 0.283 51.9 p-10 -113.18 25.76 11.07 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 115.452 -2.499 . . . . 15.98 108.479 -177.803 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.75 129.96 39.41 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 126.025 2.821 . . . . 11.72 115.519 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 78.8 m -51.99 127.97 22.94 Favored 'General case' 0 C--N 1.379 1.88 0 O-C-N 119.82 -1.8 . . . . 14.21 112.383 174.025 -60.645 -116.044 -81.195 106.864 2.024 101.714 -168.05 -44.951 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' ARG . . . . . 0.732 ' NH2' ' OE2' ' A' ' 46' ' ' GLU . 68.7 mmt-85 -139.66 -178.83 5.59 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 125.376 1.47 . . . . 13.53 111.148 176.82 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 5' ' ' ASN . 13.0 t-20 -139.64 64.57 30.15 Favored Pre-proline 0 C--N 1.278 -2.529 0 C-N-CA 127.633 2.373 . . . . 14.88 109.276 -179.445 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -61.14 -16.38 45.72 Favored 'Trans proline' 0 C--O 1.272 2.178 0 CA-C-O 116.253 -1.645 . . . . 17.39 113.606 -175.484 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -119.84 12.22 12.05 Favored 'General case' 0 C--O 1.265 1.915 0 O-C-N 127.362 2.914 . . . . 16.89 111.743 -176.257 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' ASN . . . . . 0.697 ' ND2' ' OD1' ' A' ' 5' ' ' ASN . 5.7 t-20 53.17 50.77 17.0 Favored 'General case' 1 C--O 1.307 4.101 1 O-C-N 129.888 4.493 . . . . 23.5 114.268 178.788 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -73.91 129.23 85.27 Favored Pre-proline 0 N--CA 1.516 2.853 0 N-CA-C 105.361 -2.089 . . . . 17.9 105.361 179.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -55.64 -25.33 49.86 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 N-CA-C 108.519 -1.377 . . . . 17.78 108.519 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -63.87 -20.82 66.11 Favored 'General case' 0 C--O 1.301 3.787 0 O-C-N 128.291 3.495 . . . . 21.01 117.741 177.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.62 174.39 29.59 Favored Glycine 0 C--O 1.253 1.313 0 O-C-N 124.49 1.119 . . . . 15.3 114.328 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' PRO . . . . . 0.535 ' CD ' ' O ' ' A' ' 310' ' ' HOH . 19.1 Cg_exo -42.96 147.91 0.58 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.18 2.587 . . . . 13.9 113.934 178.325 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 -155.3 -176.17 5.81 Favored 'General case' 0 C--O 1.268 2.042 0 CA-C-N 112.493 -2.14 . . . . 15.33 111.209 177.611 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.5 p -162.18 158.8 25.06 Favored 'General case' 0 C--O 1.251 1.137 0 O-C-N 125.622 1.826 . . . . 11.0 112.787 178.44 65.065 -172.647 -71.873 102.588 2.142 107.401 -75.276 -66.481 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 23' ' ' GLN . 77.8 m-85 -80.47 120.94 25.12 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 100.668 -3.827 . . . . 15.07 100.668 168.774 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' THR . . . . . 0.536 ' CG2' ' N ' ' A' ' 66' ' ' ASP 0.33 17.7 m -82.38 156.2 24.32 Favored 'General case' 0 C--N 1.27 -2.857 1 C-N-CA 140.329 7.451 . . . . 15.04 111.803 -173.73 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.5 p -84.06 4.06 31.77 Favored 'General case' 0 N--CA 1.498 1.96 1 O-C-N 130.817 5.073 . . . . 17.84 113.256 177.822 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' CG2' ' A' ' 64' ' ' THR . 55.9 t0 -84.69 116.95 67.54 Favored Pre-proline 0 CA--C 1.547 0.84 0 O-C-N 117.083 -3.511 . . . . 20.16 103.811 177.954 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . 0.268 1.7 Cg_endo -58.91 -30.77 94.0 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 O-C-N 122.595 0.787 . . . . 16.13 110.978 -178.18 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -90.77 9.36 30.38 Favored 'General case' 0 N--CA 1.418 -2.041 1 C-N-CA 134.39 5.076 . . . . 25.6 117.602 -174.069 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.59 91.12 2.0 Allowed 'General case' 0 C--O 1.285 2.932 1 C-N-CA 134.834 5.254 . . . . 21.27 112.327 -178.256 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' ARG . . . . . 0.421 ' NH2' ' O ' ' A' ' 32' ' ' ARG . 46.0 ttt85 -58.96 -51.97 67.77 Favored 'General case' 0 C--O 1.276 2.479 0 O-C-N 118.103 -2.873 . . . . 19.6 115.436 -176.531 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -147.43 173.96 12.15 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 116.925 -1.512 . . . . 29.97 107.066 174.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ASP . . . . . 0.612 ' OD2' ' OD1' ' A' ' 18' ' ' ASN . 42.5 t0 -172.74 154.59 3.02 Favored 'General case' 0 C--O 1.272 2.271 0 CA-C-O 127.402 3.477 . . . . 20.63 108.332 -178.096 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -80.92 143.15 32.86 Favored 'General case' 0 C--O 1.205 -1.245 0 C-N-CA 128.56 2.744 . . . . 14.59 111.646 -176.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.3 m -99.85 161.09 13.83 Favored 'General case' 0 C--O 1.279 2.654 0 O-C-N 128.8 3.812 . . . . 22.05 108.616 178.186 -44.951 -168.05 -81.195 101.714 2.024 106.864 -116.044 -60.645 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.49 95.99 6.09 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 114.374 -2.727 . . . . 31.01 111.254 -178.494 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 2.8 mm -108.93 135.96 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 O-C-N 128.492 3.62 . . . . 26.07 111.374 -176.751 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 77' ' ' LEU 0.436 0.0 OUTLIER -84.04 138.29 33.15 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 126.203 2.906 . . . . 28.1 108.454 -177.418 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.11 134.38 56.99 Favored 'General case' 0 C--O 1.247 0.945 1 CA-C-N 106.704 -4.771 . . . . 40.48 105.485 -178.938 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.805 0 N-CA-C 104.683 -2.34 . . . . 33.39 104.683 179.266 -125.113 24.605 36.669 115.946 1.972 110.197 88.654 52.357 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' A GLU . . . . . 0.603 ' CG ' ' N ' ' B' ' 1' ' ' CYS . 8.3 pt-20 . . . . . 0 C--O 1.268 2.048 0 CA-C-O 120.548 0.213 . . . . 44.04 110.583 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' CYS . . . . . 0.603 ' N ' ' CG ' ' B' ' 1' A GLU . 13.4 p -113.19 144.84 41.99 Favored 'General case' 0 CA--C 1.566 1.585 0 CA-C-O 128.484 3.992 . . . . 34.83 105.167 176.547 76.765 91.706 55.884 107.98 2.019 114.495 -30.239 -82.158 2 2 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' B' ' 77' ' ' LEU . 0.4 OUTLIER -123.67 150.43 44.27 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 109.553 -3.476 . . . . 30.45 110.856 -178.892 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' THR . . . . . . . . . . . . 0.341 0.0 OUTLIER -126.07 143.98 50.9 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 108.976 -3.738 . . . . 29.47 107.55 176.107 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.67 -130.01 47.63 Favored Glycine 0 CA--C 1.569 3.439 1 CA-C-O 113.302 -4.054 . . . . 24.0 105.59 178.393 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ASN . . . . . 0.688 ' ND2' ' O ' ' B' ' 348' ' ' HOH . 0.5 OUTLIER -86.2 3.16 44.18 Favored 'General case' 0 C--O 1.268 2.07 1 O-C-N 130.098 4.057 . . . . 32.78 112.485 179.941 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.85 35.2 65.77 Favored Glycine 0 N--CA 1.498 2.779 0 C-N-CA 118.474 -1.822 . . . . 22.27 110.362 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' LYS . . . . . 0.578 ' CE ' ' O ' ' B' ' 52' ' ' ASN . 0.1 OUTLIER -60.92 -43.13 99.0 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 128.342 3.925 . . . . 25.74 112.736 173.985 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -94.64 7.77 44.6 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 111.695 -2.502 . . . . 28.44 111.556 -177.419 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -64.73 128.53 36.15 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 127.072 2.732 . . . . 18.58 106.066 -179.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 mmt-85 -131.81 25.01 4.68 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 125.903 1.681 . . . . 23.42 111.862 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.21 179.26 24.96 Favored Glycine 0 N--CA 1.402 -3.597 2 C-N-CA 136.259 6.647 . . . . 17.89 109.268 175.794 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 13' ' ' MET . 67.3 p -123.27 30.91 6.14 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 123.589 1.662 . . . . 16.39 113.943 -174.501 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' MET . . . . . 0.615 ' CG ' ' CD1' ' B' ' 76' ' ' ILE . 2.2 mmm -59.62 142.41 52.93 Favored 'General case' 0 C--O 1.294 3.433 0 C-N-CA 111.886 -3.926 . . . . 26.06 102.864 176.114 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 11.5 p -130.45 21.15 5.17 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 113.753 -3.179 . . . . 19.42 111.767 173.901 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . 0.506 ' NZ ' ' CB ' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -141.75 149.85 40.99 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 104.895 -2.261 . . . . 26.4 104.895 -178.21 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.0 p -79.12 171.21 15.51 Favored 'General case' 0 N--CA 1.478 0.968 1 CA-C-O 130.211 4.815 . . . . 16.86 107.52 -177.339 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LYS . . . . . 0.587 ' CB ' ' OD1' ' B' ' 75' ' ' ASP . 1.8 pttm -54.04 -26.67 27.75 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 109.798 -3.364 . . . . 21.92 109.183 -177.358 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -87.49 -5.32 58.85 Favored 'General case' 0 C--O 1.244 0.809 0 O-C-N 127.202 2.814 . . . . 25.49 112.876 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 86.29 13.67 67.89 Favored Glycine 0 C--O 1.27 2.363 0 O-C-N 117.085 -3.509 . . . . 19.0 113.084 176.175 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . 0.491 ' CD1' ' O ' ' B' ' 330' ' ' HOH . 0.1 OUTLIER -95.26 133.18 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-O 124.388 2.042 . . . . 21.59 109.82 175.973 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . 0.358 0.5 OUTLIER -73.15 139.8 46.63 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-O 128.067 3.794 . . . . 21.0 114.078 -179.153 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 97.3 m -70.8 150.63 45.65 Favored 'General case' 0 C--O 1.244 0.765 2 CA-C-N 107.459 -4.428 . . . . 15.07 109.377 -176.259 -69.169 -72.787 -80.585 102.107 2.022 104.107 -175.711 74.711 2 2 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' B' ' 63' ' ' TYR . 5.3 tt0 -93.43 148.83 21.72 Favored 'General case' 0 C--O 1.25 1.111 1 O-C-N 136.908 8.88 . . . . 15.49 109.197 174.822 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LYS . . . . . 0.621 ' NZ ' ' OE1' ' B' ' 47' ' ' GLU . 0.2 OUTLIER -71.42 131.07 42.82 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 109.522 -0.547 . . . . 25.27 109.522 -178.638 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' TRP . . . . . . . . . . . . . 61.5 m95 -54.88 -36.73 65.44 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 111.481 -2.599 . . . . 15.06 113.26 -177.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -72.35 1.75 7.29 Favored 'General case' 0 C--O 1.25 1.108 0 CA-C-N 111.892 -2.413 . . . . 29.53 110.34 -178.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' SER . . . . . . . . . . . . 0.254 5.0 t -104.42 159.01 16.08 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 117.113 2.264 . . . . 24.22 117.113 -177.926 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -122.56 31.21 6.18 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 115.564 -2.16 . . . . 23.3 113.591 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.2 t -160.57 139.49 7.73 Favored Pre-proline 0 C--N 1.284 -2.241 0 N-CA-C 103.785 -2.672 . . . . 21.74 103.785 -179.258 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -71.9 -15.76 15.92 Favored 'Cis proline' 0 N--CA 1.435 -1.951 0 CA-C-O 115.33 -2.029 . . . . 20.98 113.22 2.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' HIS . . . . . 0.409 ' CE1' ' O ' ' B' ' 66' ' ' ASP . 35.3 m80 -113.17 128.56 56.52 Favored 'General case' 0 C--O 1.26 1.655 0 C-N-CA 131.573 3.949 . . . . 19.99 116.654 -176.698 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' ARG . . . . . 0.615 ' CG ' ' O ' ' B' ' 265' ' ' HOH . 4.2 ttm105 -75.48 111.23 13.16 Favored Pre-proline 0 C--O 1.291 3.243 0 CA-C-N 121.265 1.848 . . . . 35.77 113.281 170.683 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -63.15 141.54 83.31 Favored 'Trans proline' 0 N--CA 1.44 -1.65 0 C-N-CA 124.74 3.626 . . . . 20.1 113.272 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' ARG . . . . . 0.515 ' NH2' ' O1 ' ' B' ' 90' ' ' ACA 0.285 16.2 ttp85 -101.52 -8.48 21.88 Favored 'General case' 0 C--N 1.291 -1.971 1 CA-C-O 129.077 4.275 . . . . 29.59 108.099 178.669 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -123.03 123.23 40.41 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 129.752 3.221 . . . . 23.48 107.904 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' SER . . . . . 0.704 ' CB ' ' CD ' ' B' ' 37' ' ' PRO . 82.8 p -167.72 171.88 3.78 Favored Pre-proline 0 C--N 1.309 -1.17 0 C-N-CA 116.742 -1.983 . . . . 20.78 108.292 176.147 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' PRO . . . . . 0.704 ' CD ' ' CB ' ' B' ' 36' ' ' SER . 2.6 Cg_endo -51.36 -43.06 51.83 Favored 'Trans proline' 0 C--N 1.307 -1.651 1 O-C-N 129.292 4.312 . . . . 20.37 112.076 -179.888 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.0 88.07 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 116.951 -3.593 . . . . 21.63 112.431 -176.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' THR . . . . . 0.509 ' CG2' ' ND1' ' B' ' 40' ' ' HIS 0.41 0.7 OUTLIER -93.54 -21.6 19.34 Favored 'General case' 0 CA--C 1.471 -2.093 0 N-CA-C 118.19 2.663 . . . . 24.73 118.19 -172.353 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HIS . . . . . 0.509 ' ND1' ' CG2' ' B' ' 39' ' ' THR . 76.0 m80 -138.21 65.36 42.74 Favored Pre-proline 0 N--CA 1.445 -0.675 0 O-C-N 119.497 -2.002 . . . . 19.8 111.917 -178.441 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' PRO . . . . . . . . . . . . . 7.3 Cg_exo -53.65 -31.41 60.03 Favored 'Trans proline' 0 C--O 1.263 1.757 0 O-C-N 127.229 3.226 . . . . 21.41 116.628 -177.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 63.1 p -96.01 6.56 48.58 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 113.888 -2.958 . . . . 32.08 114.185 -178.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -89.99 3.42 53.21 Favored 'General case' 0 C--O 1.266 1.954 0 CA-C-O 115.546 -2.169 . . . . 22.72 115.37 -177.285 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' GLY . . . . . 0.706 ' O ' ' NE ' ' B' ' 51' ' ' ARG . . . 58.4 36.07 82.28 Favored Glycine 1 N--CA 1.521 4.355 0 C-N-CA 118.686 -1.721 . . . . 15.77 115.434 -179.531 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.65 57.22 0.73 Allowed 'General case' 0 N--CA 1.44 -0.956 0 O-C-N 118.981 -2.482 . . . . 17.44 115.318 174.565 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' GLU . . . . . 0.81 ' CG ' ' O ' ' B' ' 362' ' ' HOH 0.297 3.9 mt-10 -75.56 126.02 30.18 Favored 'General case' 0 C--N 1.269 -2.934 1 C-N-CA 139.54 7.136 . . . . 34.54 115.081 176.466 . . . . . . . . 4 3 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLU . . . . . 0.621 ' OE1' ' NZ ' ' B' ' 24' ' ' LYS . 56.0 mm-40 54.57 -127.39 2.29 Favored 'General case' 0 C--O 1.27 2.168 0 CA-C-O 113.732 -3.032 . . . . 23.6 113.289 178.332 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -125.5 34.59 4.89 Favored 'General case' 0 N--CA 1.497 1.879 1 O-C-N 129.852 4.47 . . . . 16.12 107.024 -176.158 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . 0.28 16.0 m-85 -83.79 157.88 21.91 Favored 'General case' 0 C--O 1.271 2.189 0 CA-C-O 114.854 -2.498 . . . . 14.16 110.895 -173.819 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 74.5 m -76.95 134.84 38.77 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.345 -1.354 . . . . 14.12 107.345 179.39 -58.757 -124.677 -93.292 101.994 2.014 103.99 168.923 -22.824 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' ARG . . . . . 0.706 ' NE ' ' O ' ' B' ' 44' ' ' GLY . 79.7 mmt-85 -144.42 152.89 41.32 Favored 'General case' 0 C--O 1.259 1.565 0 C-N-CA 130.775 3.63 . . . . 14.08 113.321 -175.847 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ASN . . . . . 0.578 ' O ' ' CE ' ' B' ' 7' ' ' LYS . 28.3 t-20 -121.33 68.5 19.81 Favored Pre-proline 0 N--CA 1.515 2.792 1 CA-C-O 130.337 4.875 . . . . 15.3 110.657 179.796 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -60.79 -36.97 81.76 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 O-C-N 116.353 -2.499 . . . . 14.83 111.859 -179.082 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' ASP . . . . . 0.402 ' N ' ' OD1' ' B' ' 54' ' ' ASP . 18.3 p-10 -96.97 1.14 49.95 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 118.331 -0.842 . . . . 21.22 111.859 -178.436 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ASN . . . . . 0.464 ' ND2' ' CG ' ' B' ' 7' ' ' LYS . 2.5 t-20 62.7 39.04 11.52 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 113.379 -3.201 . . . . 24.01 109.209 -179.772 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' N6 ' ' B' ' 90' ' ' ACA . 21.8 t0 -63.16 135.92 96.45 Favored Pre-proline 0 CA--C 1.484 -1.573 0 O-C-N 126.164 2.165 . . . . 18.32 106.708 -179.028 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -63.16 -16.01 51.71 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.032 1.822 . . . . 18.25 110.413 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -83.22 -6.46 59.48 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-O 113.171 -3.3 . . . . 24.23 109.837 177.48 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.09 -176.14 21.74 Favored Glycine 1 N--CA 1.523 4.445 1 O-C-N 129.377 4.173 . . . . 13.38 117.499 176.275 . . . . . . . . 3 2 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -60.98 136.24 64.35 Favored 'Trans proline' 0 C--N 1.383 2.389 1 C-N-CA 125.386 4.057 . . . . 13.27 112.765 177.38 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' TRP . . . . . . . . . . . . . 37.7 p-90 -137.35 178.68 6.91 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 111.508 -2.587 . . . . 13.98 109.34 -174.179 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 14.7 p -160.76 157.62 27.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.106 -0.952 . . . . 13.83 111.155 177.078 74.711 -175.711 -80.585 104.107 2.022 102.107 -72.787 -69.169 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' TYR . . . . . 0.477 ' OH ' ' O2 ' ' B' ' 90' ' ' ACA . 93.6 m-85 -71.76 146.73 47.9 Favored 'General case' 0 C--O 1.246 0.913 0 N-CA-C 102.602 -3.11 . . . . 14.79 102.602 173.781 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' THR . . . . . 0.676 ' CG2' ' N ' ' B' ' 66' ' ' ASP . 0.9 OUTLIER -106.01 158.87 16.48 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 112.735 0.643 . . . . 16.2 112.735 -174.271 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 18.1 p -82.13 4.92 21.37 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.038 -0.727 . . . . 13.26 109.038 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' ASP . . . . . 0.676 ' N ' ' CG2' ' B' ' 64' ' ' THR . 65.0 t0 -97.58 120.06 61.4 Favored Pre-proline 0 C--O 1.252 1.203 1 O-C-N 115.319 -4.613 . . . . 17.67 103.22 -179.714 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . 0.254 10.9 Cg_exo -58.02 -21.32 49.68 Favored 'Trans proline' 0 N--CA 1.434 -1.991 0 O-C-N 128.013 3.638 . . . . 12.62 112.792 -178.585 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -100.38 -0.85 37.43 Favored 'General case' 0 C--O 1.286 3.021 0 N-CA-C 117.657 2.466 . . . . 24.61 117.657 178.475 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -127.31 92.14 3.45 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 120.39 -1.444 . . . . 23.61 107.499 172.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' ARG . . . . . 0.437 ' NH2' ' O ' ' B' ' 32' ' ' ARG . 22.3 ttt85 -56.65 -48.27 77.94 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.995 2.118 . . . . 16.86 111.801 -179.176 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -152.19 156.54 39.97 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 115.464 -2.208 . . . . 26.08 107.968 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -156.7 153.46 28.49 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 129.073 3.983 . . . . 20.59 108.213 176.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -80.1 149.73 30.52 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 129.802 3.241 . . . . 13.89 106.588 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' CYS . . . . . 0.551 ' CB ' ' O ' ' B' ' 304' ' ' HOH . 0.0 OUTLIER -114.15 164.8 13.37 Favored 'General case' 0 CA--C 1.552 1.055 1 O-C-N 129.212 4.07 . . . . 21.84 106.868 176.686 -22.824 168.923 -93.292 103.99 2.014 101.994 -124.677 -58.757 4 4 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' ASP . . . . . 0.587 ' OD1' ' CB ' ' B' ' 17' ' ' LYS 0.426 3.1 m-20 -106.49 89.19 2.96 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 112.915 -3.422 . . . . 28.07 116.375 178.277 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ILE . . . . . 0.639 ' CD1' ' O ' ' B' ' 304' ' ' HOH . 1.7 mm -93.43 146.32 6.65 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.297 0 C-N-CA 129.248 3.019 . . . . 30.84 103.526 170.814 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LEU . . . . . 0.425 ' O ' ' CA ' ' B' ' 1' ' ' CYS 0.253 0.0 OUTLIER -86.34 146.12 26.61 Favored 'General case' 0 C--N 1.296 -1.721 1 CA-C-O 130.492 4.949 . . . . 29.77 106.061 176.853 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.62 124.89 23.06 Favored 'General case' 0 N--CA 1.45 -0.432 1 CA-C-N 105.861 -5.154 . . . . 35.13 105.137 179.833 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' CYS . . . . . . . . . . . . . 14.6 m . . . . . 0 C--N 1.308 -1.23 0 CA-C-O 112.795 -3.479 . . . . 34.12 107.865 173.622 -82.158 -30.239 55.884 114.495 2.019 107.98 91.706 76.765 0 0 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' ACA . . . . . 0.515 ' O1 ' ' NH2' ' B' ' 34' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . 0.468 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . 0.645 ' O ' ' O ' ' A' ' 12' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 252' ' ' HOH . . . . . 0.637 ' O ' ' CG2' ' A' ' 21' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 260' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 270' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 275' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 277' ' ' HOH . . . . . 0.628 ' O ' ' OE1' ' A' ' 47' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 280' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 281' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 282' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 285' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 286' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 289' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 292' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 297' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 298' ' ' 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 ' 310' ' ' HOH . . . . . 0.751 ' O ' ' CD ' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 319' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 341' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 357' ' ' HOH . . . . . 0.503 ' O ' ' CE ' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' 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 ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 232' ' ' HOH . . . . . 0.501 ' O ' ' CB ' ' B' ' 74' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 265' ' ' HOH . . . . . 0.615 ' O ' ' CG ' ' B' ' 32' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 268' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 271' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 272' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 276' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 284' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 287' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 288' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 294' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 295' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 296' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 299' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 304' ' ' HOH . . . . . 0.639 ' O ' ' CD1' ' B' ' 76' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 330' ' ' HOH . . . . . 0.491 ' O ' ' CD1' ' B' ' 20' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 348' ' ' HOH . . . . . 0.688 ' O ' ' ND2' ' B' ' 5' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 362' ' ' HOH . . . . . 0.81 ' O ' ' CG ' ' B' ' 46' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' A GLU . . . . . . . . . . . . 0.301 1.2 mm-40 . . . . . 0 C--O 1.255 1.372 0 N-CA-C 109.025 -0.732 . . . . 42.37 109.025 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.8 p -94.31 173.52 7.59 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 128.355 3.931 . . . . 33.09 109.623 177.835 52.357 88.654 36.669 110.197 1.972 115.946 24.605 -125.113 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' LYS . . . . . 0.864 ' HD2' ' O ' ' A' ' 310' ' ' HOH 0.466 6.2 ttpt -114.69 130.71 56.85 Favored 'General case' 0 C--O 1.266 1.934 2 C-N-CA 134.774 5.23 . . . . 28.42 116.925 -176.097 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t -118.91 139.9 50.88 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 114.368 -2.933 . . . . 29.97 108.418 170.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLY . . . . . 0.596 ' O ' ' HE3' ' A' ' 2' ' ' LYS . . . 71.11 -116.48 6.3 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 126.853 2.168 . . . . 27.68 108.925 -178.53 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASN . . . . . 0.675 ' ND2' ' OD1' ' A' ' 55' ' ' ASN . 1.8 p-10 -97.23 3.59 51.35 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 130.043 3.337 . . . . 30.35 113.967 177.588 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.98 22.54 78.44 Favored Glycine 0 CA--C 1.485 -1.836 1 C-N-CA 132.492 4.853 . . . . 23.83 122.523 177.526 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' LYS . . . . . 0.877 ' HE3' ' O ' ' A' ' 357' ' ' HOH . 51.1 tptt -44.46 -43.27 7.7 Favored 'General case' 0 C--O 1.26 1.619 0 O-C-N 118.045 -3.032 . . . . 24.22 116.7 179.542 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -94.33 7.09 46.63 Favored 'General case' 0 C--O 1.273 2.316 0 O-C-N 118.655 -2.528 . . . . 25.47 114.184 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' TYR . . . . . 0.883 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 87.5 t80 -63.11 125.99 25.88 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 126.301 2.953 . . . . 17.66 111.445 -178.378 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ARG . . . . . 0.883 ' HD3' ' O ' ' A' ' 9' ' ' TYR . 33.0 mmt-85 -142.23 45.37 1.65 Allowed 'General case' 0 CA--C 1.564 1.504 0 O-C-N 118.674 -2.517 . . . . 26.46 109.042 -177.427 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLY . . . . . 0.592 ' HA3' ' CZ ' ' A' ' 9' ' ' TYR . . . -87.26 -178.98 48.49 Favored Glycine 0 C--O 1.275 2.714 1 O-C-N 129.138 4.024 . . . . 19.44 107.615 174.399 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 12' ' ' THR . . . . . 0.645 ' O ' ' O ' ' A' ' 230' ' ' HOH . 50.0 p -112.54 26.81 10.19 Favored 'General case' 0 C--O 1.265 1.883 0 CA-C-O 113.884 -2.96 . . . . 20.31 116.807 -178.498 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' MET . . . . . 0.612 ' HG3' HD12 ' A' ' 76' ' ' ILE . 1.6 mmm -69.36 134.89 49.62 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 100.781 -3.785 . . . . 30.61 100.781 177.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 82.2 p -125.26 4.91 7.78 Favored 'General case' 0 C--O 1.248 0.983 0 O-C-N 127.781 3.176 . . . . 15.88 112.697 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . 0.901 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.38 154.19 39.33 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 127.236 2.214 . . . . 26.91 111.692 -177.978 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.0 p -81.77 178.22 8.45 Favored 'General case' 0 C--O 1.245 0.857 0 O-C-N 125.358 1.661 . . . . 15.5 111.196 -176.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HE3' ' O ' ' A' ' 285' ' ' HOH . 0.0 OUTLIER -63.17 -30.81 71.88 Favored 'General case' 0 C--N 1.362 1.117 1 O-C-N 129.209 4.068 . . . . 24.85 108.236 175.668 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . 0.612 ' OD1' ' OD2' ' A' ' 72' ' ' ASP . 8.1 m120 -85.5 6.15 28.2 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 116.627 2.084 . . . . 23.04 116.627 172.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 15' ' ' LYS . . . 84.1 -0.62 89.36 Favored Glycine 0 C--O 1.26 1.761 1 CA-C-O 112.789 -4.339 . . . . 18.85 113.717 176.286 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . 0.572 ' CG1' HG23 ' A' ' 64' ' ' THR 0.367 0.1 OUTLIER -79.29 133.3 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.548 1 O-C-N 130.206 4.121 . . . . 17.69 116.305 179.814 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 21' ' ' THR . . . . . 0.856 HG22 ' O ' ' A' ' 204' ' ' HOH 0.492 1.1 t -68.26 133.7 49.21 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-O 127.956 3.741 . . . . 21.34 112.663 -175.673 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.1 m -72.85 164.5 26.51 Favored 'General case' 0 C--N 1.4 2.777 0 C-N-CA 114.74 -2.784 . . . . 12.53 116.732 -176.015 -66.481 -75.276 -71.873 107.401 2.142 102.588 -172.647 65.065 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -96.93 148.48 22.91 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 128.136 3.398 . . . . 17.25 103.567 172.561 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 2.4 mtpt -70.55 141.75 51.84 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 103.759 -2.682 . . . . 20.49 103.759 177.901 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -70.27 -13.74 62.3 Favored 'General case' 0 N--CA 1.524 3.252 0 CA-C-O 123.94 1.829 . . . . 15.77 112.688 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 p -101.23 1.81 39.29 Favored 'General case' 0 C--O 1.256 1.399 0 O-C-N 120.078 -1.639 . . . . 26.42 112.007 -176.022 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.356 0.1 OUTLIER -97.92 158.87 15.28 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 126.787 2.554 . . . . 23.51 105.756 176.676 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . 1.108 HG22 ' HA ' ' A' ' 32' ' ' ARG 0.463 0.0 OUTLIER -125.93 44.04 2.94 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 118.417 -2.677 . . . . 23.64 108.235 175.969 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 29' ' ' SER . . . . . 0.45 ' HA ' ' C ' ' A' ' 30' ' ' PRO . 2.0 t -163.7 139.27 5.07 Favored Pre-proline 0 C--O 1.265 1.881 0 CA-C-O 125.816 2.722 . . . . 24.79 110.909 175.742 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 29' ' ' SER . 7.5 Cg_endo -62.33 -26.32 3.44 Favored 'Cis proline' 0 C--N 1.376 1.986 0 N-CA-C 117.071 1.912 . . . . 19.37 117.071 -0.641 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HIS . . . . . 0.652 ' HE1' ' O ' ' A' ' 67' ' ' PRO . 80.2 m-70 -110.09 133.24 53.41 Favored 'General case' 0 C--O 1.281 2.711 1 C-N-CA 134.373 5.069 . . . . 17.38 116.654 -173.098 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ARG . . . . . 1.108 ' HA ' HG22 ' A' ' 28' ' ' THR . 0.3 OUTLIER -85.29 110.87 32.32 Favored Pre-proline 1 N--CA 1.546 4.371 0 C-N-CA 116.029 -2.268 . . . . 35.01 108.264 176.245 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 33' ' ' PRO . . . . . 0.74 ' HD2' HG23 ' A' ' 28' ' ' THR . 7.2 Cg_exo -64.5 147.04 90.34 Favored 'Trans proline' 0 N--CA 1.431 -2.149 0 C-N-CA 123.186 2.591 . . . . 19.05 115.352 -175.305 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . . . -87.15 -33.14 19.5 Favored 'General case' 0 C--N 1.263 -3.185 1 C-N-CA 132.914 4.485 . . . . 21.06 108.02 174.086 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -112.81 122.98 49.27 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 111.835 -2.439 . . . . 22.61 108.793 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.2 p -164.37 173.66 3.8 Favored Pre-proline 0 C--N 1.309 -1.19 0 N-CA-C 109.639 -0.504 . . . . 17.56 109.639 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -58.13 -33.99 98.02 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 124.895 3.73 . . . . 15.95 113.406 -176.244 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.46 -30.65 71.68 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 117.919 -2.988 . . . . 22.84 110.255 -177.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . 1.28 HG22 ' ND1' ' A' ' 40' ' ' HIS 0.331 1.3 m -100.72 -41.41 6.91 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 130.223 3.409 . . . . 22.54 119.151 -175.084 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HIS . . . . . 1.28 ' ND1' HG22 ' A' ' 39' ' ' THR . 39.9 m80 -127.03 69.19 73.12 Favored Pre-proline 0 C--N 1.294 -1.806 1 C-N-CA 133.332 4.653 . . . . 18.17 113.458 -176.625 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -71.24 -17.0 31.44 Favored 'Trans proline' 0 N--CA 1.481 0.783 0 C-N-CA 122.297 1.998 . . . . 19.86 116.755 -174.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.86 21.75 13.16 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.144 0.794 . . . . 30.12 113.144 -179.471 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -111.47 0.44 16.53 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-O 113.556 -3.116 . . . . 26.08 111.676 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 55.61 47.12 79.3 Favored Glycine 1 C--O 1.312 4.976 1 O-C-N 129.117 4.011 . . . . 16.68 114.377 -179.87 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.87 76.99 10.18 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 105.617 -1.994 . . . . 18.26 105.617 -179.333 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 46' ' ' GLU . . . . . 0.716 ' CD ' HH21 ' A' ' 51' ' ' ARG 0.257 1.6 pt-20 -108.05 144.9 34.75 Favored 'General case' 0 CA--C 1.595 2.679 0 CA-C-O 123.282 1.515 . . . . 32.39 109.952 -173.376 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . 0.628 ' OE1' ' O ' ' A' ' 277' ' ' HOH . 59.7 mm-40 39.33 -128.97 0.3 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.061 -0.972 . . . . 22.54 109.354 -176.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . 0.283 51.9 p-10 -113.18 25.76 11.07 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 115.452 -2.499 . . . . 15.98 108.479 -177.803 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.75 129.96 39.41 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 126.025 2.821 . . . . 11.72 115.519 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 78.8 m -51.99 127.97 22.94 Favored 'General case' 0 C--N 1.379 1.88 0 O-C-N 119.82 -1.8 . . . . 14.21 112.383 174.025 -60.645 -116.044 -81.195 106.864 2.024 101.714 -168.05 -44.951 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' ARG . . . . . 0.716 HH21 ' CD ' ' A' ' 46' ' ' GLU . 68.7 mmt-85 -139.66 -178.83 5.59 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 125.376 1.47 . . . . 13.53 111.148 176.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -139.64 64.57 30.15 Favored Pre-proline 0 C--N 1.278 -2.529 0 C-N-CA 127.633 2.373 . . . . 14.88 109.276 -179.445 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' HD2' ' CZ2' ' A' ' 61' ' ' TRP . 9.9 Cg_endo -61.14 -16.38 45.72 Favored 'Trans proline' 0 C--O 1.272 2.178 0 CA-C-O 116.253 -1.645 . . . . 17.39 113.606 -175.484 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -119.84 12.22 12.05 Favored 'General case' 0 C--O 1.265 1.915 0 O-C-N 127.362 2.914 . . . . 16.89 111.743 -176.257 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' ASN . . . . . 0.675 ' OD1' ' ND2' ' A' ' 5' ' ' ASN . 22.1 t30 53.17 50.77 17.0 Favored 'General case' 1 C--O 1.307 4.101 1 O-C-N 129.888 4.493 . . . . 23.5 114.268 178.788 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . 0.692 ' OD1' ' HB2' ' A' ' 58' ' ' GLN . 22.5 t0 -73.91 129.23 85.27 Favored Pre-proline 0 N--CA 1.516 2.853 0 N-CA-C 105.361 -2.089 . . . . 17.9 105.361 179.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -55.64 -25.33 49.86 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 N-CA-C 108.519 -1.377 . . . . 17.78 108.519 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLN . . . . . 0.692 ' HB2' ' OD1' ' A' ' 56' ' ' ASP . 17.1 mt-30 -63.87 -20.82 66.11 Favored 'General case' 0 C--O 1.301 3.787 0 O-C-N 128.291 3.495 . . . . 21.01 117.741 177.514 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.62 174.39 29.59 Favored Glycine 0 C--O 1.253 1.313 0 O-C-N 124.49 1.119 . . . . 15.3 114.328 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' PRO . . . . . 0.774 ' HD2' ' O ' ' A' ' 310' ' ' HOH . 19.1 Cg_exo -42.96 147.91 0.58 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.18 2.587 . . . . 13.9 113.934 178.325 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 61' ' ' TRP . . . . . 0.512 ' CZ2' ' HD2' ' A' ' 53' ' ' PRO . 65.4 p-90 -155.3 -176.17 5.81 Favored 'General case' 0 C--O 1.268 2.042 0 CA-C-N 112.493 -2.14 . . . . 15.33 111.209 177.611 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.5 p -162.18 158.8 25.06 Favored 'General case' 0 C--O 1.251 1.137 0 O-C-N 125.622 1.826 . . . . 11.0 112.787 178.44 65.065 -172.647 -71.873 102.588 2.142 107.401 -75.276 -66.481 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' TYR . . . . . 0.673 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 77.8 m-85 -80.47 120.94 25.12 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 100.668 -3.827 . . . . 15.07 100.668 168.774 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' THR . . . . . 1.085 HG22 ' H ' ' A' ' 66' ' ' ASP 0.33 17.7 m -82.38 156.2 24.32 Favored 'General case' 0 C--N 1.27 -2.857 1 C-N-CA 140.329 7.451 . . . . 15.04 111.803 -173.73 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.5 p -84.06 4.06 31.77 Favored 'General case' 0 N--CA 1.498 1.96 1 O-C-N 130.817 5.073 . . . . 17.84 113.256 177.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' ASP . . . . . 1.085 ' H ' HG22 ' A' ' 64' ' ' THR . 55.9 t0 -84.69 116.95 67.54 Favored Pre-proline 0 CA--C 1.547 0.84 0 O-C-N 117.083 -3.511 . . . . 20.16 103.811 177.954 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PRO . . . . . 0.652 ' O ' ' HE1' ' A' ' 31' ' ' HIS 0.268 1.7 Cg_endo -58.91 -30.77 94.0 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 O-C-N 122.595 0.787 . . . . 16.13 110.978 -178.18 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -90.77 9.36 30.38 Favored 'General case' 0 N--CA 1.418 -2.041 1 C-N-CA 134.39 5.076 . . . . 25.6 117.602 -174.069 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LYS . . . . . 0.839 ' HE3' ' HB2' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -146.59 91.12 2.0 Allowed 'General case' 0 C--O 1.285 2.932 1 C-N-CA 134.834 5.254 . . . . 21.27 112.327 -178.256 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 46.0 ttt85 -58.96 -51.97 67.77 Favored 'General case' 0 C--O 1.276 2.479 0 O-C-N 118.103 -2.873 . . . . 19.6 115.436 -176.531 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -147.43 173.96 12.15 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 116.925 -1.512 . . . . 29.97 107.066 174.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ASP . . . . . 0.839 ' HB2' ' HE3' ' A' ' 69' ' ' LYS . 42.5 t0 -172.74 154.59 3.02 Favored 'General case' 0 C--O 1.272 2.271 0 CA-C-O 127.402 3.477 . . . . 20.63 108.332 -178.096 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' TYR . . . . . 0.462 ' HB3' ' O ' ' A' ' 319' ' ' HOH . 99.3 m-85 -80.92 143.15 32.86 Favored 'General case' 0 C--O 1.205 -1.245 0 C-N-CA 128.56 2.744 . . . . 14.59 111.646 -176.176 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.3 m -99.85 161.09 13.83 Favored 'General case' 0 C--O 1.279 2.654 0 O-C-N 128.8 3.812 . . . . 22.05 108.616 178.186 -44.951 -168.05 -81.195 101.714 2.024 106.864 -116.044 -60.645 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.49 95.99 6.09 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 114.374 -2.727 . . . . 31.01 111.254 -178.494 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . 0.612 HD12 ' HG3' ' A' ' 13' ' ' MET . 2.8 mm -108.93 135.96 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 O-C-N 128.492 3.62 . . . . 26.07 111.374 -176.751 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' N ' HD13 ' A' ' 77' ' ' LEU 0.436 0.0 OUTLIER -84.04 138.29 33.15 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 126.203 2.906 . . . . 28.1 108.454 -177.418 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.11 134.38 56.99 Favored 'General case' 0 C--O 1.247 0.945 1 CA-C-N 106.704 -4.771 . . . . 40.48 105.485 -178.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.805 0 N-CA-C 104.683 -2.34 . . . . 33.39 104.683 179.266 -125.113 24.605 36.669 115.946 1.972 110.197 88.654 52.357 1 1 . 1 . 001 ecloud build full ' B' B ' 1' A GLU . . . . . 0.913 ' HG3' ' H ' ' B' ' 1' ' ' CYS . 8.3 pt-20 . . . . . 0 C--O 1.268 2.048 0 CA-C-O 120.548 0.213 . . . . 44.04 110.583 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' CYS . . . . . 0.913 ' H ' ' HG3' ' B' ' 1' A GLU . 13.4 p -113.19 144.84 41.99 Favored 'General case' 0 CA--C 1.566 1.585 0 CA-C-O 128.484 3.992 . . . . 34.83 105.167 176.547 76.765 91.706 55.884 107.98 2.019 114.495 -30.239 -82.158 2 2 . 1 . 001 ecloud build full ' B' B ' 2' ' ' LYS . . . . . 0.565 ' HG2' ' OE1' ' B' ' 78' ' ' GLU . 0.4 OUTLIER -123.67 150.43 44.27 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 109.553 -3.476 . . . . 30.45 110.856 -178.892 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 3' ' ' THR . . . . . . . . . . . . 0.341 0.0 OUTLIER -126.07 143.98 50.9 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 108.976 -3.738 . . . . 29.47 107.55 176.107 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.67 -130.01 47.63 Favored Glycine 0 CA--C 1.569 3.439 1 CA-C-O 113.302 -4.054 . . . . 24.0 105.59 178.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ASN . . . . . 0.58 ' OD1' ' HA ' ' B' ' 55' ' ' ASN . 0.5 OUTLIER -86.2 3.16 44.18 Favored 'General case' 0 C--O 1.268 2.07 1 O-C-N 130.098 4.057 . . . . 32.78 112.485 179.941 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.85 35.2 65.77 Favored Glycine 0 N--CA 1.498 2.779 0 C-N-CA 118.474 -1.822 . . . . 22.27 110.362 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' LYS . . . . . 0.896 ' HE2' ' O ' ' B' ' 52' ' ' ASN . 0.1 OUTLIER -60.92 -43.13 99.0 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 128.342 3.925 . . . . 25.74 112.736 173.985 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 8' ' ' ASN . . . . . 0.743 ' HB2' ' O ' ' B' ' 231' ' ' HOH . 3.1 m-20 -94.64 7.77 44.6 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 111.695 -2.502 . . . . 28.44 111.556 -177.419 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 9' ' ' TYR . . . . . 0.697 ' CE1' ' HA3' ' B' ' 11' ' ' GLY . 48.7 t80 -64.73 128.53 36.15 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 127.072 2.732 . . . . 18.58 106.066 -179.302 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 mmt-85 -131.81 25.01 4.68 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 125.903 1.681 . . . . 23.42 111.862 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLY . . . . . 0.697 ' HA3' ' CE1' ' B' ' 9' ' ' TYR . . . -69.21 179.26 24.96 Favored Glycine 0 N--CA 1.402 -3.597 2 C-N-CA 136.259 6.647 . . . . 17.89 109.268 175.794 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 12' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 13' ' ' MET . 67.3 p -123.27 30.91 6.14 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 123.589 1.662 . . . . 16.39 113.943 -174.501 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 13' ' ' MET . . . . . 0.88 ' HG3' HD13 ' B' ' 76' ' ' ILE . 2.2 mmm -59.62 142.41 52.93 Favored 'General case' 0 C--O 1.294 3.433 0 C-N-CA 111.886 -3.926 . . . . 26.06 102.864 176.114 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 11.5 p -130.45 21.15 5.17 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 113.753 -3.179 . . . . 19.42 111.767 173.901 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . 0.768 ' NZ ' ' HB2' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -141.75 149.85 40.99 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 104.895 -2.261 . . . . 26.4 104.895 -178.21 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.0 p -79.12 171.21 15.51 Favored 'General case' 0 N--CA 1.478 0.968 1 CA-C-O 130.211 4.815 . . . . 16.86 107.52 -177.339 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LYS . . . . . 0.655 ' HA ' ' OD1' ' B' ' 75' ' ' ASP . 1.8 pttm -54.04 -26.67 27.75 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 109.798 -3.364 . . . . 21.92 109.183 -177.358 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -87.49 -5.32 58.85 Favored 'General case' 0 C--O 1.244 0.809 0 O-C-N 127.202 2.814 . . . . 25.49 112.876 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' GLY . . . . . 0.623 ' O ' ' HD2' ' B' ' 15' ' ' LYS . . . 86.29 13.67 67.89 Favored Glycine 0 C--O 1.27 2.363 0 O-C-N 117.085 -3.509 . . . . 19.0 113.084 176.175 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . 0.546 HG21 ' O ' ' B' ' 227' ' ' HOH . 0.1 OUTLIER -95.26 133.18 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-O 124.388 2.042 . . . . 21.59 109.82 175.973 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . 0.358 0.5 OUTLIER -73.15 139.8 46.63 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-O 128.067 3.794 . . . . 21.0 114.078 -179.153 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 97.3 m -70.8 150.63 45.65 Favored 'General case' 0 C--O 1.244 0.765 2 CA-C-N 107.459 -4.428 . . . . 15.07 109.377 -176.259 -69.169 -72.787 -80.585 102.107 2.022 104.107 -175.711 74.711 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -93.43 148.83 21.72 Favored 'General case' 0 C--O 1.25 1.111 1 O-C-N 136.908 8.88 . . . . 15.49 109.197 174.822 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' B' ' 47' ' ' GLU . 0.2 OUTLIER -71.42 131.07 42.82 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 109.522 -0.547 . . . . 25.27 109.522 -178.638 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 25' ' ' TRP . . . . . 0.423 ' CZ2' ' HB2' ' B' ' 51' ' ' ARG . 61.5 m95 -54.88 -36.73 65.44 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 111.481 -2.599 . . . . 15.06 113.26 -177.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -72.35 1.75 7.29 Favored 'General case' 0 C--O 1.25 1.108 0 CA-C-N 111.892 -2.413 . . . . 29.53 110.34 -178.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' SER . . . . . . . . . . . . 0.254 5.0 t -104.42 159.01 16.08 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 117.113 2.264 . . . . 24.22 117.113 -177.926 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -122.56 31.21 6.18 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 115.564 -2.16 . . . . 23.3 113.591 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' SER . . . . . 0.455 ' HA ' ' C ' ' B' ' 30' ' ' PRO . 1.2 t -160.57 139.49 7.73 Favored Pre-proline 0 C--N 1.284 -2.241 0 N-CA-C 103.785 -2.672 . . . . 21.74 103.785 -179.258 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' B' ' 29' ' ' SER . 13.7 Cg_endo -71.9 -15.76 15.92 Favored 'Cis proline' 0 N--CA 1.435 -1.951 0 CA-C-O 115.33 -2.029 . . . . 20.98 113.22 2.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 -113.17 128.56 56.52 Favored 'General case' 0 C--O 1.26 1.655 0 C-N-CA 131.573 3.949 . . . . 19.99 116.654 -176.698 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 32' ' ' ARG . . . . . 0.965 ' HG2' ' O ' ' B' ' 265' ' ' HOH . 4.2 ttm105 -75.48 111.23 13.16 Favored Pre-proline 0 C--O 1.291 3.243 0 CA-C-N 121.265 1.848 . . . . 35.77 113.281 170.683 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -63.15 141.54 83.31 Favored 'Trans proline' 0 N--CA 1.44 -1.65 0 C-N-CA 124.74 3.626 . . . . 20.1 113.272 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 34' ' ' ARG . . . . . 0.624 ' HB3' ' O2 ' ' B' ' 90' ' ' ACA 0.285 16.2 ttp85 -101.52 -8.48 21.88 Favored 'General case' 0 C--N 1.291 -1.971 1 CA-C-O 129.077 4.275 . . . . 29.59 108.099 178.669 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -123.03 123.23 40.41 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 129.752 3.221 . . . . 23.48 107.904 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' SER . . . . . 1.046 ' HB2' ' HD2' ' B' ' 37' ' ' PRO . 82.8 p -167.72 171.88 3.78 Favored Pre-proline 0 C--N 1.309 -1.17 0 C-N-CA 116.742 -1.983 . . . . 20.78 108.292 176.147 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' PRO . . . . . 1.046 ' HD2' ' HB2' ' B' ' 36' ' ' SER . 2.6 Cg_endo -51.36 -43.06 51.83 Favored 'Trans proline' 0 C--N 1.307 -1.651 1 O-C-N 129.292 4.312 . . . . 20.37 112.076 -179.888 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.0 88.07 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 116.951 -3.593 . . . . 21.63 112.431 -176.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 39' ' ' THR . . . . . 0.509 ' CG2' ' ND1' ' B' ' 40' ' ' HIS 0.41 0.7 OUTLIER -93.54 -21.6 19.34 Favored 'General case' 0 CA--C 1.471 -2.093 0 N-CA-C 118.19 2.663 . . . . 24.73 118.19 -172.353 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HIS . . . . . 0.737 ' HB3' ' HG2' ' B' ' 43' ' ' GLU . 76.0 m80 -138.21 65.36 42.74 Favored Pre-proline 0 N--CA 1.445 -0.675 0 O-C-N 119.497 -2.002 . . . . 19.8 111.917 -178.441 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' B' ' 40' ' ' HIS . 7.3 Cg_exo -53.65 -31.41 60.03 Favored 'Trans proline' 0 C--O 1.263 1.757 0 O-C-N 127.229 3.226 . . . . 21.41 116.628 -177.464 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 63.1 p -96.01 6.56 48.58 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 113.888 -2.958 . . . . 32.08 114.185 -178.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 43' ' ' GLU . . . . . 0.737 ' HG2' ' HB3' ' B' ' 40' ' ' HIS . 46.3 mm-40 -89.99 3.42 53.21 Favored 'General case' 0 C--O 1.266 1.954 0 CA-C-O 115.546 -2.169 . . . . 22.72 115.37 -177.285 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 44' ' ' GLY . . . . . 0.704 ' O ' ' NE ' ' B' ' 51' ' ' ARG . . . 58.4 36.07 82.28 Favored Glycine 1 N--CA 1.521 4.355 0 C-N-CA 118.686 -1.721 . . . . 15.77 115.434 -179.531 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 45' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' B' ' 25' ' ' TRP . 0.0 OUTLIER -74.65 57.22 0.73 Allowed 'General case' 0 N--CA 1.44 -0.956 0 O-C-N 118.981 -2.482 . . . . 17.44 115.318 174.565 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 46' ' ' GLU . . . . . 0.977 ' HG2' ' O ' ' B' ' 362' ' ' HOH 0.297 3.9 mt-10 -75.56 126.02 30.18 Favored 'General case' 0 C--N 1.269 -2.934 1 C-N-CA 139.54 7.136 . . . . 34.54 115.081 176.466 . . . . . . . . 4 3 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLU . . . . . 0.586 ' O ' ' HA ' ' B' ' 24' ' ' LYS . 56.0 mm-40 54.57 -127.39 2.29 Favored 'General case' 0 C--O 1.27 2.168 0 CA-C-O 113.732 -3.032 . . . . 23.6 113.289 178.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -125.5 34.59 4.89 Favored 'General case' 0 N--CA 1.497 1.879 1 O-C-N 129.852 4.47 . . . . 16.12 107.024 -176.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . 0.28 16.0 m-85 -83.79 157.88 21.91 Favored 'General case' 0 C--O 1.271 2.189 0 CA-C-O 114.854 -2.498 . . . . 14.16 110.895 -173.819 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 74.5 m -76.95 134.84 38.77 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.345 -1.354 . . . . 14.12 107.345 179.39 -58.757 -124.677 -93.292 101.994 2.014 103.99 168.923 -22.824 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' ARG . . . . . 0.704 ' NE ' ' O ' ' B' ' 44' ' ' GLY . 79.7 mmt-85 -144.42 152.89 41.32 Favored 'General case' 0 C--O 1.259 1.565 0 C-N-CA 130.775 3.63 . . . . 14.08 113.321 -175.847 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ASN . . . . . 0.896 ' O ' ' HE2' ' B' ' 7' ' ' LYS . 28.3 t-20 -121.33 68.5 19.81 Favored Pre-proline 0 N--CA 1.515 2.792 1 CA-C-O 130.337 4.875 . . . . 15.3 110.657 179.796 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 53' ' ' PRO . . . . . 0.454 ' HG2' ' CZ2' ' B' ' 61' ' ' TRP . 2.8 Cg_endo -60.79 -36.97 81.76 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 O-C-N 116.353 -2.499 . . . . 14.83 111.859 -179.082 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -96.97 1.14 49.95 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 118.331 -0.842 . . . . 21.22 111.859 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ASN . . . . . 0.58 ' HA ' ' OD1' ' B' ' 5' ' ' ASN . 0.6 OUTLIER 62.7 39.04 11.52 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 113.379 -3.201 . . . . 24.01 109.209 -179.772 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' N6 ' ' B' ' 90' ' ' ACA . 21.8 t0 -63.16 135.92 96.45 Favored Pre-proline 0 CA--C 1.484 -1.573 0 O-C-N 126.164 2.165 . . . . 18.32 106.708 -179.028 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -63.16 -16.01 51.71 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.032 1.822 . . . . 18.25 110.413 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -83.22 -6.46 59.48 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-O 113.171 -3.3 . . . . 24.23 109.837 177.48 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.09 -176.14 21.74 Favored Glycine 1 N--CA 1.523 4.445 1 O-C-N 129.377 4.173 . . . . 13.38 117.499 176.275 . . . . . . . . 3 2 . 1 . 001 ecloud build full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -60.98 136.24 64.35 Favored 'Trans proline' 0 C--N 1.383 2.389 1 C-N-CA 125.386 4.057 . . . . 13.27 112.765 177.38 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 61' ' ' TRP . . . . . 0.454 ' CZ2' ' HG2' ' B' ' 53' ' ' PRO . 37.7 p-90 -137.35 178.68 6.91 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 111.508 -2.587 . . . . 13.98 109.34 -174.179 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 14.7 p -160.76 157.62 27.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.106 -0.952 . . . . 13.83 111.155 177.078 74.711 -175.711 -80.585 104.107 2.022 102.107 -72.787 -69.169 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' TYR . . . . . 0.477 ' OH ' ' O2 ' ' B' ' 90' ' ' ACA . 93.6 m-85 -71.76 146.73 47.9 Favored 'General case' 0 C--O 1.246 0.913 0 N-CA-C 102.602 -3.11 . . . . 14.79 102.602 173.781 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 64' ' ' THR . . . . . 1.027 ' CG2' ' H ' ' B' ' 66' ' ' ASP . 0.9 OUTLIER -106.01 158.87 16.48 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 112.735 0.643 . . . . 16.2 112.735 -174.271 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 18.1 p -82.13 4.92 21.37 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.038 -0.727 . . . . 13.26 109.038 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' ASP . . . . . 1.027 ' H ' ' CG2' ' B' ' 64' ' ' THR . 65.0 t0 -97.58 120.06 61.4 Favored Pre-proline 0 C--O 1.252 1.203 1 O-C-N 115.319 -4.613 . . . . 17.67 103.22 -179.714 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . 0.254 10.9 Cg_exo -58.02 -21.32 49.68 Favored 'Trans proline' 0 N--CA 1.434 -1.991 0 O-C-N 128.013 3.638 . . . . 12.62 112.792 -178.585 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -100.38 -0.85 37.43 Favored 'General case' 0 C--O 1.286 3.021 0 N-CA-C 117.657 2.466 . . . . 24.61 117.657 178.475 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LYS . . . . . 0.516 ' O ' ' HB ' ' B' ' 64' ' ' THR . 8.2 tptt -127.31 92.14 3.45 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 120.39 -1.444 . . . . 23.61 107.499 172.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -56.65 -48.27 77.94 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.995 2.118 . . . . 16.86 111.801 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -152.19 156.54 39.97 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 115.464 -2.208 . . . . 26.08 107.968 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -156.7 153.46 28.49 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 129.073 3.983 . . . . 20.59 108.213 176.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -80.1 149.73 30.52 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 129.802 3.241 . . . . 13.89 106.588 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' CYS . . . . . 0.826 ' HB2' ' O ' ' B' ' 304' ' ' HOH . 0.0 OUTLIER -114.15 164.8 13.37 Favored 'General case' 0 CA--C 1.552 1.055 1 O-C-N 129.212 4.07 . . . . 21.84 106.868 176.686 -22.824 168.923 -93.292 103.99 2.014 101.994 -124.677 -58.757 4 4 . 1 . 001 ecloud build full ' B' B ' 75' ' ' ASP . . . . . 0.655 ' OD1' ' HA ' ' B' ' 17' ' ' LYS 0.426 3.1 m-20 -106.49 89.19 2.96 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 112.915 -3.422 . . . . 28.07 116.375 178.277 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ILE . . . . . 0.88 HD13 ' HG3' ' B' ' 13' ' ' MET . 1.7 mm -93.43 146.32 6.65 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.297 0 C-N-CA 129.248 3.019 . . . . 30.84 103.526 170.814 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LEU . . . . . 0.76 ' O ' ' HA ' ' B' ' 1' ' ' CYS 0.253 0.0 OUTLIER -86.34 146.12 26.61 Favored 'General case' 0 C--N 1.296 -1.721 1 CA-C-O 130.492 4.949 . . . . 29.77 106.061 176.853 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' B' B ' 78' ' ' GLU . . . . . 0.565 ' OE1' ' HG2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -64.62 124.89 23.06 Favored 'General case' 0 N--CA 1.45 -0.432 1 CA-C-N 105.861 -5.154 . . . . 35.13 105.137 179.833 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 79' ' ' CYS . . . . . 0.641 ' HA ' ' HB2' ' B' ' 1' ' ' CYS . 14.6 m . . . . . 0 C--N 1.308 -1.23 0 CA-C-O 112.795 -3.479 . . . . 34.12 107.865 173.622 -82.158 -30.239 55.884 114.495 2.019 107.98 91.706 76.765 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 90' ' ' ACA . . . . . 0.624 ' O2 ' ' HB3' ' B' ' 34' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . 0.856 ' O ' HG22 ' A' ' 21' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . 0.645 ' O ' ' O ' ' A' ' 12' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 252' ' ' HOH . . . . . 0.726 ' O ' HG23 ' A' ' 21' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 260' ' ' HOH . . . . . 0.667 ' O ' ' HB2' ' A' ' 55' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 270' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 275' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 277' ' ' HOH . . . . . 0.628 ' O ' ' OE1' ' A' ' 47' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 280' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 281' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 282' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 285' ' ' HOH . . . . . 0.478 ' O ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 286' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 289' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 292' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 297' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 298' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 310' ' ' HOH . . . . . 0.864 ' O ' ' HD2' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 319' ' ' HOH . . . . . 0.462 ' O ' ' HB3' ' A' ' 73' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 341' ' ' HOH . . . . . 0.786 ' O ' HG21 ' A' ' 21' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 357' ' ' HOH . . . . . 0.877 ' O ' ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' 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 ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 227' ' ' HOH . . . . . 0.546 ' O ' HG21 ' B' ' 20' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 231' ' ' HOH . . . . . 0.743 ' O ' ' HB2' ' B' ' 8' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 232' ' ' HOH . . . . . 0.81 ' O ' ' HB3' ' B' ' 74' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 265' ' ' HOH . . . . . 0.965 ' O ' ' HG2' ' B' ' 32' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 268' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 271' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 272' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 276' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 284' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 287' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 288' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 294' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 295' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 296' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 299' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 304' ' ' HOH . . . . . 0.843 ' O ' ' HG3' ' B' ' 13' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 330' ' ' HOH . . . . . 0.491 ' O ' ' CD1' ' B' ' 20' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 362' ' ' HOH . . . . . 0.977 ' O ' ' HG2' ' B' ' 46' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' A GLU . . . . . . . . . . . . 0.301 1.2 mm-40 . . . . . 0 C--O 1.255 1.372 0 N-CA-C 109.025 -0.732 . . . . 42.37 109.025 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 11.8 p -94.31 173.52 7.59 Favored 'General case' 0 C--N 1.305 -1.335 0 CA-C-O 128.355 3.931 . . . . 33.09 109.623 177.835 52.357 88.654 36.669 110.197 1.972 115.946 24.605 -125.113 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.864 ' HD2' ' O ' ' A' ' 310' ' ' HOH 0.466 6.2 ttpt -114.69 130.71 56.85 Favored 'General case' 0 C--O 1.266 1.934 2 C-N-CA 134.774 5.23 . . . . 28.42 116.925 -176.097 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.9 t -118.91 139.9 50.88 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 114.368 -2.933 . . . . 29.97 108.418 170.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.596 ' O ' ' HE3' ' A' ' 2' ' ' LYS . . . 71.11 -116.48 6.3 Favored Glycine 0 CA--C 1.534 1.227 0 C-N-CA 126.853 2.168 . . . . 27.68 108.925 -178.53 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.697 ' OD1' ' ND2' ' A' ' 55' ' ' ASN . 0.0 OUTLIER -97.23 3.59 51.35 Favored 'General case' 0 C--N 1.299 -1.627 0 C-N-CA 130.043 3.337 . . . . 30.35 113.967 177.588 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.98 22.54 78.44 Favored Glycine 0 CA--C 1.485 -1.836 1 C-N-CA 132.492 4.853 . . . . 23.83 122.523 177.526 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.877 ' HE3' ' O ' ' A' ' 357' ' ' HOH . 51.1 tptt -44.46 -43.27 7.7 Favored 'General case' 0 C--O 1.26 1.619 0 O-C-N 118.045 -3.032 . . . . 24.22 116.7 179.542 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -94.33 7.09 46.63 Favored 'General case' 0 C--O 1.273 2.316 0 O-C-N 118.655 -2.528 . . . . 25.47 114.184 -178.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.883 ' O ' ' HD3' ' A' ' 10' ' ' ARG . 87.5 t80 -63.11 125.99 25.88 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-O 126.301 2.953 . . . . 17.66 111.445 -178.378 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.883 ' HD3' ' O ' ' A' ' 9' ' ' TYR . 33.0 mmt-85 -142.23 45.37 1.65 Allowed 'General case' 0 CA--C 1.564 1.504 0 O-C-N 118.674 -2.517 . . . . 26.46 109.042 -177.427 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.592 ' HA3' ' CZ ' ' A' ' 9' ' ' TYR . . . -87.26 -178.98 48.49 Favored Glycine 0 C--O 1.275 2.714 1 O-C-N 129.138 4.024 . . . . 19.44 107.615 174.399 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' THR . . . . . 0.645 ' O ' ' O ' ' A' ' 230' ' ' HOH . 50.0 p -112.54 26.81 10.19 Favored 'General case' 0 C--O 1.265 1.883 0 CA-C-O 113.884 -2.96 . . . . 20.31 116.807 -178.498 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' MET . . . . . 0.612 ' HG3' HD12 ' A' ' 76' ' ' ILE . 1.6 mmm -69.36 134.89 49.62 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 100.781 -3.785 . . . . 30.61 100.781 177.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 82.2 p -125.26 4.91 7.78 Favored 'General case' 0 C--O 1.248 0.983 0 O-C-N 127.781 3.176 . . . . 15.88 112.697 -179.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.901 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -123.38 154.19 39.33 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 127.236 2.214 . . . . 26.91 111.692 -177.978 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.0 p -81.77 178.22 8.45 Favored 'General case' 0 C--O 1.245 0.857 0 O-C-N 125.358 1.661 . . . . 15.5 111.196 -176.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HE3' ' O ' ' A' ' 285' ' ' HOH . 0.0 OUTLIER -63.17 -30.81 71.88 Favored 'General case' 0 C--N 1.362 1.117 1 O-C-N 129.209 4.068 . . . . 24.85 108.236 175.668 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.612 ' OD1' ' OD2' ' A' ' 72' ' ' ASP . 8.1 m120 -85.5 6.15 28.2 Favored 'General case' 0 CA--C 1.556 1.187 0 N-CA-C 116.627 2.084 . . . . 23.04 116.627 172.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.409 ' O ' ' CG ' ' A' ' 15' ' ' LYS . . . 84.1 -0.62 89.36 Favored Glycine 0 C--O 1.26 1.761 1 CA-C-O 112.789 -4.339 . . . . 18.85 113.717 176.286 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.572 ' CG1' HG23 ' A' ' 64' ' ' THR 0.367 0.1 OUTLIER -79.29 133.3 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.548 1 O-C-N 130.206 4.121 . . . . 17.69 116.305 179.814 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' THR . . . . . 0.856 HG22 ' O ' ' A' ' 204' ' ' HOH 0.492 1.1 t -68.26 133.7 49.21 Favored 'General case' 0 CA--C 1.475 -1.939 0 CA-C-O 127.956 3.741 . . . . 21.34 112.663 -175.673 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 92.1 m -72.85 164.5 26.51 Favored 'General case' 0 C--N 1.4 2.777 0 C-N-CA 114.74 -2.784 . . . . 12.53 116.732 -176.015 -66.481 -75.276 -71.873 107.401 2.142 102.588 -172.647 65.065 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -96.93 148.48 22.91 Favored 'General case' 0 C--N 1.294 -1.826 0 O-C-N 128.136 3.398 . . . . 17.25 103.567 172.561 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 47' ' ' GLU . 2.4 mtpt -70.55 141.75 51.84 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 103.759 -2.682 . . . . 20.49 103.759 177.901 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -70.27 -13.74 62.3 Favored 'General case' 0 N--CA 1.524 3.252 0 CA-C-O 123.94 1.829 . . . . 15.77 112.688 179.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 p -101.23 1.81 39.29 Favored 'General case' 0 C--O 1.256 1.399 0 O-C-N 120.078 -1.639 . . . . 26.42 112.007 -176.022 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . 0.356 0.1 OUTLIER -97.92 158.87 15.28 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 126.787 2.554 . . . . 23.51 105.756 176.676 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . 1.108 HG22 ' HA ' ' A' ' 32' ' ' ARG 0.463 0.0 OUTLIER -125.93 44.04 2.94 Favored 'General case' 0 C--O 1.211 -0.944 0 O-C-N 118.417 -2.677 . . . . 23.64 108.235 175.969 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' SER . . . . . 0.45 ' HA ' ' C ' ' A' ' 30' ' ' PRO . 2.0 t -163.7 139.27 5.07 Favored Pre-proline 0 C--O 1.265 1.881 0 CA-C-O 125.816 2.722 . . . . 24.79 110.909 175.742 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 29' ' ' SER . 7.5 Cg_endo -62.33 -26.32 3.44 Favored 'Cis proline' 0 C--N 1.376 1.986 0 N-CA-C 117.071 1.912 . . . . 19.37 117.071 -0.641 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.604 ' HE1' ' O ' ' A' ' 66' ' ' ASP . 26.1 m80 -110.09 133.24 53.41 Favored 'General case' 0 C--O 1.281 2.711 1 C-N-CA 134.373 5.069 . . . . 17.38 116.654 -173.098 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ARG . . . . . 1.108 ' HA ' HG22 ' A' ' 28' ' ' THR . 0.3 OUTLIER -85.29 110.87 32.32 Favored Pre-proline 1 N--CA 1.546 4.371 0 C-N-CA 116.029 -2.268 . . . . 35.01 108.264 176.245 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.74 ' HD2' HG23 ' A' ' 28' ' ' THR . 7.2 Cg_exo -64.5 147.04 90.34 Favored 'Trans proline' 0 N--CA 1.431 -2.149 0 C-N-CA 123.186 2.591 . . . . 19.05 115.352 -175.305 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . . . -87.15 -33.14 19.5 Favored 'General case' 0 C--N 1.263 -3.185 1 C-N-CA 132.914 4.485 . . . . 21.06 108.02 174.086 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -112.81 122.98 49.27 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-N 111.835 -2.439 . . . . 22.61 108.793 178.571 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 25.2 p -164.37 173.66 3.8 Favored Pre-proline 0 C--N 1.309 -1.19 0 N-CA-C 109.639 -0.504 . . . . 17.56 109.639 179.199 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -58.13 -33.99 98.02 Favored 'Trans proline' 0 C--N 1.379 2.183 0 C-N-CA 124.895 3.73 . . . . 15.95 113.406 -176.244 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.46 -30.65 71.68 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 117.919 -2.988 . . . . 22.84 110.255 -177.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . 1.28 HG22 ' ND1' ' A' ' 40' ' ' HIS 0.331 1.3 m -100.72 -41.41 6.91 Favored 'General case' 0 C--O 1.264 1.828 0 C-N-CA 130.223 3.409 . . . . 22.54 119.151 -175.084 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HIS . . . . . 1.28 ' ND1' HG22 ' A' ' 39' ' ' THR . 39.9 m80 -127.03 69.19 73.12 Favored Pre-proline 0 C--N 1.294 -1.806 1 C-N-CA 133.332 4.653 . . . . 18.17 113.458 -176.625 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -71.24 -17.0 31.44 Favored 'Trans proline' 0 N--CA 1.481 0.783 0 C-N-CA 122.297 1.998 . . . . 19.86 116.755 -174.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -100.86 21.75 13.16 Favored 'General case' 0 N--CA 1.481 1.089 0 N-CA-C 113.144 0.794 . . . . 30.12 113.144 -179.471 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -111.47 0.44 16.53 Favored 'General case' 0 C--O 1.254 1.29 0 CA-C-O 113.556 -3.116 . . . . 26.08 111.676 -173.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 55.61 47.12 79.3 Favored Glycine 1 C--O 1.312 4.976 1 O-C-N 129.117 4.011 . . . . 16.68 114.377 -179.87 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -84.87 76.99 10.18 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 105.617 -1.994 . . . . 18.26 105.617 -179.333 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.716 ' CD ' HH21 ' A' ' 51' ' ' ARG 0.257 1.6 pt-20 -108.05 144.9 34.75 Favored 'General case' 0 CA--C 1.595 2.679 0 CA-C-O 123.282 1.515 . . . . 32.39 109.952 -173.376 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.628 ' OE1' ' O ' ' A' ' 277' ' ' HOH . 59.7 mm-40 39.33 -128.97 0.3 Allowed 'General case' 0 N--CA 1.489 1.481 0 CA-C-N 115.061 -0.972 . . . . 22.54 109.354 -176.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . 0.283 51.9 p-10 -113.18 25.76 11.07 Favored 'General case' 0 N--CA 1.507 2.412 0 C-N-CA 115.452 -2.499 . . . . 15.98 108.479 -177.803 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -72.75 129.96 39.41 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-O 126.025 2.821 . . . . 11.72 115.519 -176.952 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 78.8 m -51.99 127.97 22.94 Favored 'General case' 0 C--N 1.379 1.88 0 O-C-N 119.82 -1.8 . . . . 14.21 112.383 174.025 -60.645 -116.044 -81.195 106.864 2.024 101.714 -168.05 -44.951 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.716 HH21 ' CD ' ' A' ' 46' ' ' GLU . 68.7 mmt-85 -139.66 -178.83 5.59 Favored 'General case' 0 C--O 1.27 2.174 0 C-N-CA 125.376 1.47 . . . . 13.53 111.148 176.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -139.64 64.57 30.15 Favored Pre-proline 0 C--N 1.278 -2.529 0 C-N-CA 127.633 2.373 . . . . 14.88 109.276 -179.445 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.512 ' HD2' ' CZ2' ' A' ' 61' ' ' TRP . 9.9 Cg_endo -61.14 -16.38 45.72 Favored 'Trans proline' 0 C--O 1.272 2.178 0 CA-C-O 116.253 -1.645 . . . . 17.39 113.606 -175.484 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 38.1 p-10 -119.84 12.22 12.05 Favored 'General case' 0 C--O 1.265 1.915 0 O-C-N 127.362 2.914 . . . . 16.89 111.743 -176.257 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.697 ' ND2' ' OD1' ' A' ' 5' ' ' ASN . 5.7 t-20 53.17 50.77 17.0 Favored 'General case' 1 C--O 1.307 4.101 1 O-C-N 129.888 4.493 . . . . 23.5 114.268 178.788 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.692 ' OD1' ' HB2' ' A' ' 58' ' ' GLN . 22.5 t0 -73.91 129.23 85.27 Favored Pre-proline 0 N--CA 1.516 2.853 0 N-CA-C 105.361 -2.089 . . . . 17.9 105.361 179.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -55.64 -25.33 49.86 Favored 'Trans proline' 0 N--CA 1.497 1.713 0 N-CA-C 108.519 -1.377 . . . . 17.78 108.519 -179.843 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.692 ' HB2' ' OD1' ' A' ' 56' ' ' ASP . 17.1 mt-30 -63.87 -20.82 66.11 Favored 'General case' 0 C--O 1.301 3.787 0 O-C-N 128.291 3.495 . . . . 21.01 117.741 177.514 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.62 174.39 29.59 Favored Glycine 0 C--O 1.253 1.313 0 O-C-N 124.49 1.119 . . . . 15.3 114.328 -178.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.774 ' HD2' ' O ' ' A' ' 310' ' ' HOH . 19.1 Cg_exo -42.96 147.91 0.58 Allowed 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.18 2.587 . . . . 13.9 113.934 178.325 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' TRP . . . . . 0.512 ' CZ2' ' HD2' ' A' ' 53' ' ' PRO . 65.4 p-90 -155.3 -176.17 5.81 Favored 'General case' 0 C--O 1.268 2.042 0 CA-C-N 112.493 -2.14 . . . . 15.33 111.209 177.611 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.5 p -162.18 158.8 25.06 Favored 'General case' 0 C--O 1.251 1.137 0 O-C-N 125.622 1.826 . . . . 11.0 112.787 178.44 65.065 -172.647 -71.873 102.588 2.142 107.401 -75.276 -66.481 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.673 ' CE2' ' HB3' ' A' ' 33' ' ' PRO . 77.8 m-85 -80.47 120.94 25.12 Favored 'General case' 0 CA--C 1.57 1.714 0 N-CA-C 100.668 -3.827 . . . . 15.07 100.668 168.774 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' THR . . . . . 1.085 HG22 ' H ' ' A' ' 66' ' ' ASP 0.33 17.7 m -82.38 156.2 24.32 Favored 'General case' 0 C--N 1.27 -2.857 1 C-N-CA 140.329 7.451 . . . . 15.04 111.803 -173.73 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 47.5 p -84.06 4.06 31.77 Favored 'General case' 0 N--CA 1.498 1.96 1 O-C-N 130.817 5.073 . . . . 17.84 113.256 177.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' ASP . . . . . 1.085 ' H ' HG22 ' A' ' 64' ' ' THR . 55.9 t0 -84.69 116.95 67.54 Favored Pre-proline 0 CA--C 1.547 0.84 0 O-C-N 117.083 -3.511 . . . . 20.16 103.811 177.954 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . 0.268 1.7 Cg_endo -58.91 -30.77 94.0 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 O-C-N 122.595 0.787 . . . . 16.13 110.978 -178.18 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -90.77 9.36 30.38 Favored 'General case' 0 N--CA 1.418 -2.041 1 C-N-CA 134.39 5.076 . . . . 25.6 117.602 -174.069 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.839 ' HE3' ' HB2' ' A' ' 72' ' ' ASP . 0.1 OUTLIER -146.59 91.12 2.0 Allowed 'General case' 0 C--O 1.285 2.932 1 C-N-CA 134.834 5.254 . . . . 21.27 112.327 -178.256 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.455 ' O ' ' HA ' ' A' ' 63' ' ' TYR . 46.0 ttt85 -58.96 -51.97 67.77 Favored 'General case' 0 C--O 1.276 2.479 0 O-C-N 118.103 -2.873 . . . . 19.6 115.436 -176.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -147.43 173.96 12.15 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-O 116.925 -1.512 . . . . 29.97 107.066 174.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.839 ' HB2' ' HE3' ' A' ' 69' ' ' LYS . 42.5 t0 -172.74 154.59 3.02 Favored 'General case' 0 C--O 1.272 2.271 0 CA-C-O 127.402 3.477 . . . . 20.63 108.332 -178.096 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.462 ' HB3' ' O ' ' A' ' 319' ' ' HOH . 99.3 m-85 -80.92 143.15 32.86 Favored 'General case' 0 C--O 1.205 -1.245 0 C-N-CA 128.56 2.744 . . . . 14.59 111.646 -176.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' CYS . . . . . . . . . . . . . 10.3 m -99.85 161.09 13.83 Favored 'General case' 0 C--O 1.279 2.654 0 O-C-N 128.8 3.812 . . . . 22.05 108.616 178.186 -44.951 -168.05 -81.195 101.714 2.024 106.864 -116.044 -60.645 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.49 95.99 6.09 Favored 'General case' 0 C--O 1.213 -0.821 0 CA-C-O 114.374 -2.727 . . . . 31.01 111.254 -178.494 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.612 HD12 ' HG3' ' A' ' 13' ' ' MET . 2.8 mm -108.93 135.96 46.22 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.032 0 O-C-N 128.492 3.62 . . . . 26.07 111.374 -176.751 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' N ' HD13 ' A' ' 77' ' ' LEU 0.436 0.0 OUTLIER -84.04 138.29 33.15 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 126.203 2.906 . . . . 28.1 108.454 -177.418 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.11 134.38 56.99 Favored 'General case' 0 C--O 1.247 0.945 1 CA-C-N 106.704 -4.771 . . . . 40.48 105.485 -178.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.317 -0.805 0 N-CA-C 104.683 -2.34 . . . . 33.39 104.683 179.266 -125.113 24.605 36.669 115.946 1.972 110.197 88.654 52.357 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' A GLU . . . . . 0.913 ' HG3' ' H ' ' B' ' 1' ' ' CYS . 8.3 pt-20 . . . . . 0 C--O 1.268 2.048 0 CA-C-O 120.548 0.213 . . . . 44.04 110.583 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' CYS . . . . . 0.913 ' H ' ' HG3' ' B' ' 1' A GLU . 13.4 p -113.19 144.84 41.99 Favored 'General case' 0 CA--C 1.566 1.585 0 CA-C-O 128.484 3.992 . . . . 34.83 105.167 176.547 76.765 91.706 55.884 107.98 2.019 114.495 -30.239 -82.158 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.565 ' HG2' ' OE1' ' B' ' 78' ' ' GLU . 0.4 OUTLIER -123.67 150.43 44.27 Favored 'General case' 0 C--N 1.308 -1.226 0 CA-C-N 109.553 -3.476 . . . . 30.45 110.856 -178.892 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' THR . . . . . . . . . . . . 0.341 0.0 OUTLIER -126.07 143.98 50.9 Favored 'General case' 0 N--CA 1.5 2.059 0 CA-C-N 108.976 -3.738 . . . . 29.47 107.55 176.107 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLY . . . . . . . . . . . . . . . 60.67 -130.01 47.63 Favored Glycine 0 CA--C 1.569 3.439 1 CA-C-O 113.302 -4.054 . . . . 24.0 105.59 178.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ASN . . . . . 0.58 ' OD1' ' HA ' ' B' ' 55' ' ' ASN . 0.5 OUTLIER -86.2 3.16 44.18 Favored 'General case' 0 C--O 1.268 2.07 1 O-C-N 130.098 4.057 . . . . 32.78 112.485 179.941 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.85 35.2 65.77 Favored Glycine 0 N--CA 1.498 2.779 0 C-N-CA 118.474 -1.822 . . . . 22.27 110.362 -176.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.896 ' HE2' ' O ' ' B' ' 52' ' ' ASN . 0.1 OUTLIER -60.92 -43.13 99.0 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 128.342 3.925 . . . . 25.74 112.736 173.985 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.743 ' HB2' ' O ' ' B' ' 231' ' ' HOH . 1.9 m-80 -94.64 7.77 44.6 Favored 'General case' 0 C--O 1.242 0.689 0 CA-C-N 111.695 -2.502 . . . . 28.44 111.556 -177.419 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' TYR . . . . . 0.697 ' CE1' ' HA3' ' B' ' 11' ' ' GLY . 48.7 t80 -64.73 128.53 36.15 Favored 'General case' 0 C--N 1.313 -0.979 0 O-C-N 127.072 2.732 . . . . 18.58 106.066 -179.302 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 17.6 mmt-85 -131.81 25.01 4.68 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 125.903 1.681 . . . . 23.42 111.862 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLY . . . . . 0.697 ' HA3' ' CE1' ' B' ' 9' ' ' TYR . . . -69.21 179.26 24.96 Favored Glycine 0 N--CA 1.402 -3.597 2 C-N-CA 136.259 6.647 . . . . 17.89 109.268 175.794 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' THR . . . . . 0.414 ' O ' ' C ' ' B' ' 13' ' ' MET . 67.3 p -123.27 30.91 6.14 Favored 'General case' 0 C--N 1.35 0.625 0 CA-C-O 123.589 1.662 . . . . 16.39 113.943 -174.501 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' MET . . . . . 0.88 ' HG3' HD13 ' B' ' 76' ' ' ILE . 2.2 mmm -59.62 142.41 52.93 Favored 'General case' 0 C--O 1.294 3.433 0 C-N-CA 111.886 -3.926 . . . . 26.06 102.864 176.114 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 11.5 p -130.45 21.15 5.17 Favored 'General case' 0 C--N 1.36 1.052 0 C-N-CA 113.753 -3.179 . . . . 19.42 111.767 173.901 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . 0.768 ' NZ ' ' HB2' ' B' ' 15' ' ' LYS . 0.0 OUTLIER -141.75 149.85 40.99 Favored 'General case' 0 N--CA 1.496 1.835 0 N-CA-C 104.895 -2.261 . . . . 26.4 104.895 -178.21 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' THR . . . . . . . . . . . . . 32.0 p -79.12 171.21 15.51 Favored 'General case' 0 N--CA 1.478 0.968 1 CA-C-O 130.211 4.815 . . . . 16.86 107.52 -177.339 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LYS . . . . . 0.655 ' HA ' ' OD1' ' B' ' 75' ' ' ASP . 1.8 pttm -54.04 -26.67 27.75 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-N 109.798 -3.364 . . . . 21.92 109.183 -177.358 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -87.49 -5.32 58.85 Favored 'General case' 0 C--O 1.244 0.809 0 O-C-N 127.202 2.814 . . . . 25.49 112.876 178.278 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.623 ' O ' ' HD2' ' B' ' 15' ' ' LYS . . . 86.29 13.67 67.89 Favored Glycine 0 C--O 1.27 2.363 0 O-C-N 117.085 -3.509 . . . . 19.0 113.084 176.175 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . 0.546 HG21 ' O ' ' B' ' 227' ' ' HOH . 0.1 OUTLIER -95.26 133.18 37.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 CA-C-O 124.388 2.042 . . . . 21.59 109.82 175.973 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . 0.358 0.5 OUTLIER -73.15 139.8 46.63 Favored 'General case' 0 N--CA 1.485 1.32 0 CA-C-O 128.067 3.794 . . . . 21.0 114.078 -179.153 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' CYS . . . . . . . . . . . . . 97.3 m -70.8 150.63 45.65 Favored 'General case' 0 C--O 1.244 0.765 2 CA-C-N 107.459 -4.428 . . . . 15.07 109.377 -176.259 -69.169 -72.787 -80.585 102.107 2.022 104.107 -175.711 74.711 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -93.43 148.83 21.72 Favored 'General case' 0 C--O 1.25 1.111 1 O-C-N 136.908 8.88 . . . . 15.49 109.197 174.822 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.586 ' HA ' ' O ' ' B' ' 47' ' ' GLU . 0.2 OUTLIER -71.42 131.07 42.82 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 109.522 -0.547 . . . . 25.27 109.522 -178.638 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' TRP . . . . . 0.423 ' CZ2' ' HB2' ' B' ' 51' ' ' ARG . 61.5 m95 -54.88 -36.73 65.44 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 111.481 -2.599 . . . . 15.06 113.26 -177.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 1.5 p -72.35 1.75 7.29 Favored 'General case' 0 C--O 1.25 1.108 0 CA-C-N 111.892 -2.413 . . . . 29.53 110.34 -178.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' SER . . . . . . . . . . . . 0.254 5.0 t -104.42 159.01 16.08 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 117.113 2.264 . . . . 24.22 117.113 -177.926 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 17.8 p -122.56 31.21 6.18 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 115.564 -2.16 . . . . 23.3 113.591 176.477 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' SER . . . . . 0.455 ' HA ' ' C ' ' B' ' 30' ' ' PRO . 1.2 t -160.57 139.49 7.73 Favored Pre-proline 0 C--N 1.284 -2.241 0 N-CA-C 103.785 -2.672 . . . . 21.74 103.785 -179.258 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' B' ' 29' ' ' SER . 13.7 Cg_endo -71.9 -15.76 15.92 Favored 'Cis proline' 0 N--CA 1.435 -1.951 0 CA-C-O 115.33 -2.029 . . . . 20.98 113.22 2.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' HIS . . . . . 0.456 ' HE1' ' O ' ' B' ' 66' ' ' ASP . 35.3 m80 -113.17 128.56 56.52 Favored 'General case' 0 C--O 1.26 1.655 0 C-N-CA 131.573 3.949 . . . . 19.99 116.654 -176.698 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.965 ' HG2' ' O ' ' B' ' 265' ' ' HOH . 4.2 ttm105 -75.48 111.23 13.16 Favored Pre-proline 0 C--O 1.291 3.243 0 CA-C-N 121.265 1.848 . . . . 35.77 113.281 170.683 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -63.15 141.54 83.31 Favored 'Trans proline' 0 N--CA 1.44 -1.65 0 C-N-CA 124.74 3.626 . . . . 20.1 113.272 -178.224 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' ARG . . . . . 0.624 ' HB3' ' O2 ' ' B' ' 90' ' ' ACA 0.285 16.2 ttp85 -101.52 -8.48 21.88 Favored 'General case' 0 C--N 1.291 -1.971 1 CA-C-O 129.077 4.275 . . . . 29.59 108.099 178.669 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -123.03 123.23 40.41 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 129.752 3.221 . . . . 23.48 107.904 179.152 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' SER . . . . . 1.046 ' HB2' ' HD2' ' B' ' 37' ' ' PRO . 82.8 p -167.72 171.88 3.78 Favored Pre-proline 0 C--N 1.309 -1.17 0 C-N-CA 116.742 -1.983 . . . . 20.78 108.292 176.147 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' PRO . . . . . 1.046 ' HD2' ' HB2' ' B' ' 36' ' ' SER . 2.6 Cg_endo -51.36 -43.06 51.83 Favored 'Trans proline' 0 C--N 1.307 -1.651 1 O-C-N 129.292 4.312 . . . . 20.37 112.076 -179.888 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.0 88.07 Favored 'General case' 0 C--N 1.309 -1.187 0 O-C-N 116.951 -3.593 . . . . 21.63 112.431 -176.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' THR . . . . . 0.509 ' CG2' ' ND1' ' B' ' 40' ' ' HIS 0.41 0.7 OUTLIER -93.54 -21.6 19.34 Favored 'General case' 0 CA--C 1.471 -2.093 0 N-CA-C 118.19 2.663 . . . . 24.73 118.19 -172.353 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HIS . . . . . 0.737 ' HB3' ' HG2' ' B' ' 43' ' ' GLU . 76.0 m80 -138.21 65.36 42.74 Favored Pre-proline 0 N--CA 1.445 -0.675 0 O-C-N 119.497 -2.002 . . . . 19.8 111.917 -178.441 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' B' ' 40' ' ' HIS . 7.3 Cg_exo -53.65 -31.41 60.03 Favored 'Trans proline' 0 C--O 1.263 1.757 0 O-C-N 127.229 3.226 . . . . 21.41 116.628 -177.464 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 63.1 p -96.01 6.56 48.58 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 113.888 -2.958 . . . . 32.08 114.185 -178.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' GLU . . . . . 0.737 ' HG2' ' HB3' ' B' ' 40' ' ' HIS . 46.3 mm-40 -89.99 3.42 53.21 Favored 'General case' 0 C--O 1.266 1.954 0 CA-C-O 115.546 -2.169 . . . . 22.72 115.37 -177.285 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.704 ' O ' ' NE ' ' B' ' 51' ' ' ARG . . . 58.4 36.07 82.28 Favored Glycine 1 N--CA 1.521 4.355 0 C-N-CA 118.686 -1.721 . . . . 15.77 115.434 -179.531 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' B' ' 25' ' ' TRP . 0.0 OUTLIER -74.65 57.22 0.73 Allowed 'General case' 0 N--CA 1.44 -0.956 0 O-C-N 118.981 -2.482 . . . . 17.44 115.318 174.565 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.977 ' HG2' ' O ' ' B' ' 362' ' ' HOH 0.297 3.9 mt-10 -75.56 126.02 30.18 Favored 'General case' 0 C--N 1.269 -2.934 1 C-N-CA 139.54 7.136 . . . . 34.54 115.081 176.466 . . . . . . . . 4 3 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.586 ' O ' ' HA ' ' B' ' 24' ' ' LYS . 56.0 mm-40 54.57 -127.39 2.29 Favored 'General case' 0 C--O 1.27 2.168 0 CA-C-O 113.732 -3.032 . . . . 23.6 113.289 178.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' ASN . . . . . . . . . . . . . 51.1 p-10 -125.5 34.59 4.89 Favored 'General case' 0 N--CA 1.497 1.879 1 O-C-N 129.852 4.47 . . . . 16.12 107.024 -176.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' TYR . . . . . . . . . . . . 0.28 16.0 m-85 -83.79 157.88 21.91 Favored 'General case' 0 C--O 1.271 2.189 0 CA-C-O 114.854 -2.498 . . . . 14.16 110.895 -173.819 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' CYS . . . . . . . . . . . . . 74.5 m -76.95 134.84 38.77 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 107.345 -1.354 . . . . 14.12 107.345 179.39 -58.757 -124.677 -93.292 101.994 2.014 103.99 168.923 -22.824 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.704 ' NE ' ' O ' ' B' ' 44' ' ' GLY . 79.7 mmt-85 -144.42 152.89 41.32 Favored 'General case' 0 C--O 1.259 1.565 0 C-N-CA 130.775 3.63 . . . . 14.08 113.321 -175.847 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ASN . . . . . 0.896 ' O ' ' HE2' ' B' ' 7' ' ' LYS . 28.3 t-20 -121.33 68.5 19.81 Favored Pre-proline 0 N--CA 1.515 2.792 1 CA-C-O 130.337 4.875 . . . . 15.3 110.657 179.796 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.454 ' HG2' ' CZ2' ' B' ' 61' ' ' TRP . 2.8 Cg_endo -60.79 -36.97 81.76 Favored 'Trans proline' 0 C--N 1.311 -1.444 0 O-C-N 116.353 -2.499 . . . . 14.83 111.859 -179.082 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -96.97 1.14 49.95 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 118.331 -0.842 . . . . 21.22 111.859 -178.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.692 ' ND2' ' HG2' ' B' ' 7' ' ' LYS . 2.5 t-20 62.7 39.04 11.52 Favored 'General case' 0 C--N 1.303 -1.425 0 CA-C-O 113.379 -3.201 . . . . 24.01 109.209 -179.772 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASP . . . . . 0.439 ' OD2' ' N6 ' ' B' ' 90' ' ' ACA . 21.8 t0 -63.16 135.92 96.45 Favored Pre-proline 0 CA--C 1.484 -1.573 0 O-C-N 126.164 2.165 . . . . 18.32 106.708 -179.028 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_endo -63.16 -16.01 51.71 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.032 1.822 . . . . 18.25 110.413 -178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' GLN . . . . . . . . . . . . . 6.1 mt-30 -83.22 -6.46 59.48 Favored 'General case' 0 C--O 1.267 2.001 0 CA-C-O 113.171 -3.3 . . . . 24.23 109.837 177.48 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 106.09 -176.14 21.74 Favored Glycine 1 N--CA 1.523 4.445 1 O-C-N 129.377 4.173 . . . . 13.38 117.499 176.275 . . . . . . . . 3 2 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -60.98 136.24 64.35 Favored 'Trans proline' 0 C--N 1.383 2.389 1 C-N-CA 125.386 4.057 . . . . 13.27 112.765 177.38 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' TRP . . . . . 0.454 ' CZ2' ' HG2' ' B' ' 53' ' ' PRO . 37.7 p-90 -137.35 178.68 6.91 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-N 111.508 -2.587 . . . . 13.98 109.34 -174.179 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' CYS . . . . . . . . . . . . . 14.7 p -160.76 157.62 27.2 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.106 -0.952 . . . . 13.83 111.155 177.078 74.711 -175.711 -80.585 104.107 2.022 102.107 -72.787 -69.169 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' TYR . . . . . 0.477 ' OH ' ' O2 ' ' B' ' 90' ' ' ACA . 93.6 m-85 -71.76 146.73 47.9 Favored 'General case' 0 C--O 1.246 0.913 0 N-CA-C 102.602 -3.11 . . . . 14.79 102.602 173.781 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' THR . . . . . 1.027 ' CG2' ' H ' ' B' ' 66' ' ' ASP . 0.9 OUTLIER -106.01 158.87 16.48 Favored 'General case' 0 C--N 1.288 -2.086 0 N-CA-C 112.735 0.643 . . . . 16.2 112.735 -174.271 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' THR . . . . . . . . . . . . . 18.1 p -82.13 4.92 21.37 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.038 -0.727 . . . . 13.26 109.038 176.938 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' ASP . . . . . 1.027 ' H ' ' CG2' ' B' ' 64' ' ' THR . 65.0 t0 -97.58 120.06 61.4 Favored Pre-proline 0 C--O 1.252 1.203 1 O-C-N 115.319 -4.613 . . . . 17.67 103.22 -179.714 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' PRO . . . . . . . . . . . . 0.254 10.9 Cg_exo -58.02 -21.32 49.68 Favored 'Trans proline' 0 N--CA 1.434 -1.991 0 O-C-N 128.013 3.638 . . . . 12.62 112.792 -178.585 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -100.38 -0.85 37.43 Favored 'General case' 0 C--O 1.286 3.021 0 N-CA-C 117.657 2.466 . . . . 24.61 117.657 178.475 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LYS . . . . . 0.516 ' O ' ' HB ' ' B' ' 64' ' ' THR . 8.2 tptt -127.31 92.14 3.45 Favored 'General case' 0 C--N 1.294 -1.843 0 O-C-N 120.39 -1.444 . . . . 23.61 107.499 172.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -56.65 -48.27 77.94 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 126.995 2.118 . . . . 16.86 111.801 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' TYR . . . . . . . . . . . . . 9.3 p90 -152.19 156.54 39.97 Favored 'General case' 0 C--N 1.296 -1.755 0 CA-C-O 115.464 -2.208 . . . . 26.08 107.968 -179.794 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -156.7 153.46 28.49 Favored 'General case' 0 C--N 1.312 -1.036 0 O-C-N 129.073 3.983 . . . . 20.59 108.213 176.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -80.1 149.73 30.52 Favored 'General case' 0 C--N 1.277 -2.558 0 C-N-CA 129.802 3.241 . . . . 13.89 106.588 -179.903 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' CYS . . . . . 0.826 ' HB2' ' O ' ' B' ' 304' ' ' HOH . 0.0 OUTLIER -114.15 164.8 13.37 Favored 'General case' 0 CA--C 1.552 1.055 1 O-C-N 129.212 4.07 . . . . 21.84 106.868 176.686 -22.824 168.923 -93.292 103.99 2.014 101.994 -124.677 -58.757 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' ASP . . . . . 0.655 ' OD1' ' HA ' ' B' ' 17' ' ' LYS 0.426 3.1 m-20 -106.49 89.19 2.96 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 112.915 -3.422 . . . . 28.07 116.375 178.277 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ILE . . . . . 0.88 HD13 ' HG3' ' B' ' 13' ' ' MET . 1.7 mm -93.43 146.32 6.65 Favored 'Isoleucine or valine' 0 C--N 1.26 -3.297 0 C-N-CA 129.248 3.019 . . . . 30.84 103.526 170.814 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.76 ' O ' ' HA ' ' B' ' 1' ' ' CYS 0.253 0.0 OUTLIER -86.34 146.12 26.61 Favored 'General case' 0 C--N 1.296 -1.721 1 CA-C-O 130.492 4.949 . . . . 29.77 106.061 176.853 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' GLU . . . . . 0.565 ' OE1' ' HG2' ' B' ' 2' ' ' LYS . 0.0 OUTLIER -64.62 124.89 23.06 Favored 'General case' 0 N--CA 1.45 -0.432 1 CA-C-N 105.861 -5.154 . . . . 35.13 105.137 179.833 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' CYS . . . . . 0.641 ' HA ' ' HB2' ' B' ' 1' ' ' CYS . 14.6 m . . . . . 0 C--N 1.308 -1.23 0 CA-C-O 112.795 -3.479 . . . . 34.12 107.865 173.622 -82.158 -30.239 55.884 114.495 2.019 107.98 91.706 76.765 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ACA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' ACA . . . . . 0.624 ' O2 ' ' HB3' ' B' ' 34' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.856 ' O ' HG22 ' A' ' 21' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . 0.645 ' O ' ' O ' ' A' ' 12' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . 0.509 ' O ' ' HD2' ' A' ' 31' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 242' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 247' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 250' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 252' ' ' HOH . . . . . 0.726 ' O ' HG23 ' A' ' 21' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 253' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 254' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 257' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 260' ' ' HOH . . . . . 0.667 ' O ' ' HB2' ' A' ' 55' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 261' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 262' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 267' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 270' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 275' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 277' ' ' HOH . . . . . 0.628 ' O ' ' OE1' ' A' ' 47' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 279' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 280' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 281' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 282' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 283' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 285' ' ' HOH . . . . . 0.478 ' O ' ' HE3' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 286' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 289' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 292' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 297' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 298' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 306' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 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 ' 310' ' ' HOH . . . . . 0.864 ' O ' ' HD2' ' A' ' 2' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 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 ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 318' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 319' ' ' HOH . . . . . 0.462 ' O ' ' HB3' ' A' ' 73' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 320' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 324' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 325' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 326' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 332' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 333' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 334' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 336' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 338' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 340' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 341' ' ' HOH . . . . . 0.786 ' O ' HG21 ' A' ' 21' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 346' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 347' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 352' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 354' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 357' ' ' HOH . . . . . 0.877 ' O ' ' HE3' ' A' ' 7' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 369' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 370' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 373' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 374' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' 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 ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 227' ' ' HOH . . . . . 0.546 ' O ' HG21 ' B' ' 20' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 231' ' ' HOH . . . . . 0.743 ' O ' ' HB2' ' B' ' 8' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 232' ' ' HOH . . . . . 0.81 ' O ' ' HB3' ' B' ' 74' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 236' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 243' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 244' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 245' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 246' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 248' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 249' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 251' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 255' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 256' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 259' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 264' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 265' ' ' HOH . . . . . 0.965 ' O ' ' HG2' ' B' ' 32' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 266' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 268' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 269' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 271' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 272' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 276' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 278' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 284' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 287' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 288' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 294' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 295' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 296' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 299' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 301' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 302' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 303' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 304' ' ' HOH . . . . . 0.843 ' O ' ' HG3' ' B' ' 13' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 305' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 309' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 311' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 312' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 315' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 316' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 323' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 329' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 330' ' ' HOH . . . . . 0.491 ' O ' ' CD1' ' B' ' 20' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 331' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 335' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 337' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 342' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 345' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 348' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 353' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 356' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 360' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 362' ' ' HOH . . . . . 0.977 ' O ' ' HG2' ' B' ' 46' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 363' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 368' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 371' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 372' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_