data_3ilg_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 3ilg _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' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.714 0 N-CA-C 105.846 -2.902 . . . . 24.15 105.846 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tp -50.23 -42.63 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 N-CA-C 116.15 1.907 . . . . 25.31 116.15 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.09 -44.72 92.15 Favored 'Isoleucine or valine' 0 C--O 1.258 1.552 0 N-CA-C 109.399 -0.593 . . . . 27.41 109.399 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLU . . . . . 0.434 ' OE2' ' N ' ' B' ' 29' ' ' LYS . 25.2 mp0 -71.25 -51.72 23.01 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.109 -0.95 . . . . 28.05 112.189 179.837 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -50.09 -46.46 53.49 Favored 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 116.624 2.083 . . . . 31.14 116.624 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.13 -33.74 76.75 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.185 -0.947 . . . . 18.48 111.162 -177.351 -67.516 -76.187 110.551 102.512 1.997 102.485 -155.29 63.478 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.3 t -80.97 -43.5 19.6 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 114.68 1.363 . . . . 23.56 114.68 -177.608 -173.072 49.44 97.813 103.345 2.025 104.597 -85.547 -61.019 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.4 p -87.6 -38.93 15.5 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.462 0.649 . . . . 28.5 109.259 -173.548 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' SER . . . . . 0.538 ' O ' ' CG2' ' A' ' 10' ' ' ILE . 25.6 t -109.1 -96.49 0.39 Allowed 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 114.703 1.371 . . . . 31.7 114.703 -178.703 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ILE . . . . . 0.538 ' CG2' ' O ' ' A' ' 9' ' ' SER . 23.3 pt -177.64 152.29 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 102.826 -3.028 . . . . 28.7 102.826 177.343 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -145.89 163.85 33.82 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 125.384 1.678 . . . . 19.91 111.339 178.081 63.478 -155.29 110.551 102.485 1.997 102.512 -76.187 -67.516 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -106.56 159.15 16.4 Favored 'General case' 0 C--O 1.266 1.952 0 N-CA-C 108.657 -0.868 . . . . 17.64 108.657 -173.914 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.0 mt -61.15 -28.62 69.25 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 117.495 -1.682 . . . . 20.33 109.823 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -67.47 -39.32 85.26 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 118.105 -0.95 . . . . 30.35 113.532 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.52 -37.88 85.34 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 124.042 0.839 . . . . 22.17 111.497 171.29 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.8 -29.36 69.84 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 112.685 0.624 . . . . 21.7 112.685 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.16 -20.31 66.1 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 108.847 -0.797 . . . . 34.38 108.847 -174.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.52 -20.38 65.56 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 113.376 0.88 . . . . 32.02 113.376 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -98.57 3.71 48.06 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 117.642 0.201 . . . . 28.93 111.247 -174.833 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.9 m -73.0 154.58 40.45 Favored 'General case' 0 C--O 1.206 -1.216 0 O-C-N 124.838 1.336 . . . . 21.86 108.741 176.355 -58.25 -42.735 -82.159 107.064 2.04 102.267 -61.886 -61.389 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.9 m-20 . . . . . 0 C--O 1.245 0.831 0 CA-C-O 122.69 1.233 . . . . 38.12 107.731 178.591 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 108.374 -0.973 . . . . 32.62 108.374 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.82 166.85 5.23 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 C-N-CA 120.205 -0.598 . . . . 30.59 109.435 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -76.34 163.93 26.52 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 124.491 1.12 . . . . 33.72 112.564 172.327 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -139.67 130.67 26.31 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 124.35 1.031 . . . . 28.92 111.221 -153.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -107.24 106.85 17.51 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 108.568 -0.901 . . . . 28.51 108.568 168.947 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -134.05 112.05 10.87 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.632 1.345 . . . . 22.0 114.632 -167.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.8 m -115.91 151.16 35.89 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.83 1.252 . . . . 24.34 111.62 178.242 -61.019 -85.547 97.813 104.597 2.025 103.345 49.44 -173.072 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.51 -135.41 45.23 Favored Glycine 0 N--CA 1.48 1.612 0 N-CA-C 116.565 1.386 . . . . 18.13 116.565 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.7 p -57.11 -25.76 59.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.173 0.805 . . . . 19.96 113.173 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -62.23 -35.01 77.62 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.44 0.533 . . . . 17.9 112.44 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -64.53 -44.4 90.96 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.218 -0.593 . . . . 19.73 111.285 173.061 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.15 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--O 1.251 1.154 0 O-C-N 121.813 -0.554 . . . . 22.0 109.775 -175.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.77 -45.55 91.94 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.057 -0.974 . . . . 36.95 111.014 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.23 96.3 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 113.12 0.785 . . . . 13.76 113.12 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.8 mt -58.61 -47.58 83.87 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-O 119.394 -0.336 . . . . 15.81 110.956 175.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' TYR . . . . . . . . . . . . . 94.1 t80 -55.5 -50.18 70.61 Favored 'General case' 0 N--CA 1.438 -1.029 0 O-C-N 125.782 1.926 . . . . 24.96 109.384 178.451 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.64 -44.18 97.46 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 114.418 1.266 . . . . 27.58 114.418 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 t -70.32 -36.3 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.574 -0.739 . . . . 20.6 111.146 -174.666 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -95.2 -29.02 14.74 Favored 'General case' 0 C--O 1.263 1.803 0 C-N-CA 118.916 -1.114 . . . . 24.98 111.977 -168.938 -61.389 -61.886 -82.159 102.267 2.04 107.064 -42.735 -58.25 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 31.31 -118.2 0.1 Allowed Glycine 0 C--O 1.259 1.688 0 O-C-N 125.048 1.467 . . . . 30.39 115.987 -162.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -64.84 -22.09 66.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.429 0.9 . . . . 42.93 113.429 -168.229 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 45.3 mtm180 -56.14 -27.18 53.13 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.577 0.548 . . . . 36.66 112.352 174.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.55 179.95 9.1 Favored Glycine 0 N--CA 1.467 0.762 0 N-CA-C 114.662 0.625 . . . . 23.56 114.662 -161.69 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -155.61 166.42 33.56 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.932 0.716 . . . . 18.33 112.932 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -109.84 137.23 47.92 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.732 -1.21 . . . . 32.8 107.732 170.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -108.92 109.24 20.28 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 108.496 -0.927 . . . . 21.39 108.496 175.467 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' THR . . . . . . . . . . . . . 7.3 m -130.5 84.1 60.29 Favored Pre-proline 0 C--O 1.215 -0.748 0 N-CA-C 114.342 1.238 . . . . 26.17 114.342 -172.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -70.46 150.52 64.1 Favored 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 125.566 4.177 . . . . 25.15 112.386 174.97 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LYS . . . . . 0.434 ' N ' ' OE2' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -64.89 145.31 56.47 Favored 'General case' 0 C--O 1.262 1.743 0 CA-C-N 115.517 -0.765 . . . . 40.91 111.036 168.978 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.251 1.166 0 CA-C-N 114.208 -1.36 . . . . 43.57 113.345 174.784 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' GLY . . . . . 0.481 ' N ' ' OE1' ' C' ' 4' ' ' GLU . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 107.887 -2.085 . . . . 29.68 107.887 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -51.37 -39.45 21.79 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 N-CA-C 114.816 1.413 . . . . 27.72 114.816 -177.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.64 -46.3 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-O 121.72 0.771 . . . . 30.55 110.373 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' C' ' 1' ' ' GLY . 23.0 mp0 -66.93 -46.83 73.57 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 118.148 -1.421 . . . . 35.91 112.886 178.465 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -57.77 -48.32 79.99 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 115.644 1.72 . . . . 44.43 115.644 175.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 78.3 m -109.12 -22.16 12.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.996 1.85 . . . . 28.84 115.996 -169.606 -63.798 -80.493 105.09 103.241 2.061 101.672 -150.961 76.431 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.8 -56.26 2.24 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 119.758 -0.777 . . . . 28.67 112.59 -178.971 174.4 63.417 97.904 107.695 2.003 102.84 -83.137 -57.708 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 27.3 m -66.28 -59.39 3.77 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 106.953 -1.499 . . . . 32.77 106.953 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 39.5 t -83.99 -168.68 2.24 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 120.702 -0.399 . . . . 31.57 110.266 163.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 pt -114.65 153.72 16.12 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 C-N-CA 124.097 0.959 . . . . 30.04 111.74 175.204 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 13.7 p -142.73 159.57 41.98 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 117.653 -1.619 . . . . 30.31 112.473 177.68 76.431 -150.961 105.09 101.672 2.061 103.241 -80.493 -63.798 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -86.54 163.02 17.73 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.905 -0.589 . . . . 28.34 109.814 178.847 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.87 -31.5 71.78 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.72 -0.218 . . . . 33.63 110.97 173.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -62.0 -42.81 99.56 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 113.786 1.032 . . . . 46.39 113.786 170.424 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.13 -40.85 91.2 Favored 'General case' 0 C--O 1.209 -1.061 0 C-N-CA 119.767 -0.773 . . . . 40.9 110.398 173.734 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.31 -29.82 66.18 Favored 'General case' 0 C--O 1.253 1.27 0 N-CA-C 114.574 1.324 . . . . 25.33 114.574 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -62.52 -18.68 62.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.299 -0.864 . . . . 31.47 112.668 176.693 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -57.7 -26.54 61.88 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.358 0.663 . . . . 26.23 111.687 173.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -103.16 10.61 37.75 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 112.369 0.507 . . . . 26.67 112.369 -174.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 80.5 m -76.42 148.0 37.59 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 119.151 -1.02 . . . . 20.74 110.702 171.197 -60.362 -38.927 -85.324 108.434 2.039 104.36 -61.096 -59.005 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.241 0.614 0 CA-C-O 123.61 1.671 . . . . 31.44 111.981 175.091 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 110.439 -0.208 . . . . 61.54 110.439 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.53 152.31 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-O 120.824 0.345 . . . . 54.76 111.396 170.755 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -79.16 -176.4 5.11 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.056 1.132 . . . . 50.39 114.056 -168.603 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -120.39 153.89 35.89 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.704 1.001 . . . . 46.51 113.704 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -82.18 129.38 34.82 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.262 -1.385 . . . . 32.59 107.262 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 79.5 mt -122.7 112.65 18.19 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.565 1.146 . . . . 24.8 110.223 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 65.8 m -126.24 150.03 48.67 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.036 -0.666 . . . . 27.79 112.235 -176.708 -57.708 -83.137 97.904 102.84 2.003 107.695 63.417 174.4 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.62 -132.86 52.02 Favored Glycine 0 N--CA 1.479 1.55 0 O-C-N 123.627 0.579 . . . . 20.85 112.247 169.005 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' SER . . . . . . . . . . . . . 33.8 p -60.93 -24.66 66.2 Favored 'General case' 0 C--O 1.202 -1.437 0 C-N-CA 117.529 -1.668 . . . . 22.48 114.382 -179.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -70.5 -35.82 73.44 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 118.939 0.79 . . . . 21.11 111.209 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 18.2 tp -65.11 -46.17 82.13 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 125.23 1.581 . . . . 18.22 108.194 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 32.7 m -66.55 -35.4 74.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 C-N-CA 119.188 -1.005 . . . . 19.48 110.977 -179.561 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -61.36 -38.01 85.41 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 119.353 -0.939 . . . . 35.29 110.968 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.03 -42.4 76.42 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.725 -0.67 . . . . 14.79 110.791 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 mt -57.3 -43.82 83.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 118.882 -1.127 . . . . 19.18 112.164 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.54 -46.1 87.52 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 115.639 -0.709 . . . . 21.75 110.285 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.31 -49.37 78.09 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 121.095 0.474 . . . . 28.13 112.04 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 55.4 t -70.61 -39.79 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 115.281 -0.872 . . . . 22.01 112.891 -177.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 78.5 m -94.42 -39.68 10.32 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 114.655 1.354 . . . . 20.79 114.655 -171.687 -59.005 -61.096 -85.324 104.36 2.039 108.434 -38.927 -60.362 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.88 -121.66 5.33 Favored Glycine 0 N--CA 1.488 2.162 0 O-C-N 125.052 1.47 . . . . 24.21 113.355 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -21.5 66.72 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.547 1.314 . . . . 45.54 114.547 -173.644 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -63.36 -31.01 72.04 Favored 'General case' 0 C--O 1.269 2.122 0 CA-C-O 122.12 0.962 . . . . 30.5 110.62 173.711 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.78 -178.53 53.66 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 106.459 -2.656 . . . . 20.15 106.459 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -160.02 173.42 15.88 Favored 'General case' 0 C--O 1.253 1.276 0 C-N-CA 120.668 -0.413 . . . . 16.08 110.952 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -124.38 137.51 54.46 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.639 -0.875 . . . . 19.47 108.639 170.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -113.6 103.13 10.94 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 106.233 -1.766 . . . . 22.9 106.233 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' THR . . . . . . . . . . . . . 24.5 p -127.24 75.96 76.66 Favored Pre-proline 0 N--CA 1.494 1.76 0 C-N-CA 120.27 -0.572 . . . . 24.9 110.769 -172.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -63.82 -22.02 69.23 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 121.644 1.562 . . . . 30.38 113.556 -172.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -71.35 -24.65 62.13 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.233 -1.025 . . . . 45.22 108.233 -178.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.254 1.291 0 CA-C-N 115.059 -0.973 . . . . 36.26 112.276 -176.753 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 31' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . 0.491 ' O ' ' CG1' ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.714 0 N-CA-C 105.846 -2.902 . . . . 24.15 105.846 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tp -50.23 -42.63 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 N-CA-C 116.15 1.907 . . . . 25.31 116.15 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.09 -44.72 92.15 Favored 'Isoleucine or valine' 0 C--O 1.258 1.552 0 N-CA-C 109.399 -0.593 . . . . 27.41 109.399 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -71.25 -51.72 23.01 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.109 -0.95 . . . . 28.05 112.189 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -50.09 -46.46 53.49 Favored 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 116.624 2.083 . . . . 31.14 116.624 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.13 -33.74 76.75 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.185 -0.947 . . . . 18.48 111.162 -177.351 -67.516 -76.187 110.551 102.512 1.997 102.485 -155.29 63.478 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.3 t -80.97 -43.5 19.6 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 114.68 1.363 . . . . 23.56 114.68 -177.608 -173.072 49.44 97.813 103.345 2.025 104.597 -85.547 -61.019 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.4 p -87.6 -38.93 15.5 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.462 0.649 . . . . 28.5 109.259 -173.548 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' SER . . . . . 0.803 ' O ' HG23 ' A' ' 10' ' ' ILE . 25.6 t -109.1 -96.49 0.39 Allowed 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 114.703 1.371 . . . . 31.7 114.703 -178.703 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ILE . . . . . 0.924 HG12 ' O ' ' A' ' 53' ' ' HOH . 23.3 pt -177.64 152.29 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 102.826 -3.028 . . . . 28.7 102.826 177.343 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -145.89 163.85 33.82 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 125.384 1.678 . . . . 19.91 111.339 178.081 63.478 -155.29 110.551 102.485 1.997 102.512 -76.187 -67.516 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -106.56 159.15 16.4 Favored 'General case' 0 C--O 1.266 1.952 0 N-CA-C 108.657 -0.868 . . . . 17.64 108.657 -173.914 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.0 mt -61.15 -28.62 69.25 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 117.495 -1.682 . . . . 20.33 109.823 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -67.47 -39.32 85.26 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 118.105 -0.95 . . . . 30.35 113.532 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.52 -37.88 85.34 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 124.042 0.839 . . . . 22.17 111.497 171.29 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.8 -29.36 69.84 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 112.685 0.624 . . . . 21.7 112.685 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.16 -20.31 66.1 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 108.847 -0.797 . . . . 34.38 108.847 -174.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.52 -20.38 65.56 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 113.376 0.88 . . . . 32.02 113.376 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -98.57 3.71 48.06 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 117.642 0.201 . . . . 28.93 111.247 -174.833 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.9 m -73.0 154.58 40.45 Favored 'General case' 0 C--O 1.206 -1.216 0 O-C-N 124.838 1.336 . . . . 21.86 108.741 176.355 -58.25 -42.735 -82.159 107.064 2.04 102.267 -61.886 -61.389 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . 0.626 ' HB3' ' O ' ' A' ' 65' ' ' HOH . 16.9 m120 . . . . . 0 C--O 1.245 0.831 0 CA-C-O 122.69 1.233 . . . . 38.12 107.731 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 108.374 -0.973 . . . . 32.62 108.374 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.82 166.85 5.23 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 C-N-CA 120.205 -0.598 . . . . 30.59 109.435 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -76.34 163.93 26.52 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 124.491 1.12 . . . . 33.72 112.564 172.327 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -139.67 130.67 26.31 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 124.35 1.031 . . . . 28.92 111.221 -153.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -107.24 106.85 17.51 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 108.568 -0.901 . . . . 28.51 108.568 168.947 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -134.05 112.05 10.87 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.632 1.345 . . . . 22.0 114.632 -167.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.8 m -115.91 151.16 35.89 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.83 1.252 . . . . 24.34 111.62 178.242 -61.019 -85.547 97.813 104.597 2.025 103.345 49.44 -173.072 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.51 -135.41 45.23 Favored Glycine 0 N--CA 1.48 1.612 0 N-CA-C 116.565 1.386 . . . . 18.13 116.565 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.7 p -57.11 -25.76 59.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.173 0.805 . . . . 19.96 113.173 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -62.23 -35.01 77.62 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.44 0.533 . . . . 17.9 112.44 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -64.53 -44.4 90.96 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.218 -0.593 . . . . 19.73 111.285 173.061 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.15 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--O 1.251 1.154 0 O-C-N 121.813 -0.554 . . . . 22.0 109.775 -175.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.77 -45.55 91.94 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.057 -0.974 . . . . 36.95 111.014 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.23 96.3 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 113.12 0.785 . . . . 13.76 113.12 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.8 mt -58.61 -47.58 83.87 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-O 119.394 -0.336 . . . . 15.81 110.956 175.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' TYR . . . . . 0.426 ' HB2' HG21 ' D' ' 12' ' ' VAL . 94.1 t80 -55.5 -50.18 70.61 Favored 'General case' 0 N--CA 1.438 -1.029 0 O-C-N 125.782 1.926 . . . . 24.96 109.384 178.451 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.64 -44.18 97.46 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 114.418 1.266 . . . . 27.58 114.418 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 t -70.32 -36.3 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.574 -0.739 . . . . 20.6 111.146 -174.666 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -95.2 -29.02 14.74 Favored 'General case' 0 C--O 1.263 1.803 0 C-N-CA 118.916 -1.114 . . . . 24.98 111.977 -168.938 -61.389 -61.886 -82.159 102.267 2.04 107.064 -42.735 -58.25 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 31.31 -118.2 0.1 Allowed Glycine 0 C--O 1.259 1.688 0 O-C-N 125.048 1.467 . . . . 30.39 115.987 -162.577 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -64.84 -22.09 66.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.429 0.9 . . . . 42.93 113.429 -168.229 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ARG . . . . . 0.569 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 45.3 mtm180 -56.14 -27.18 53.13 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.577 0.548 . . . . 36.66 112.352 174.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.55 179.95 9.1 Favored Glycine 0 N--CA 1.467 0.762 0 N-CA-C 114.662 0.625 . . . . 23.56 114.662 -161.69 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -155.61 166.42 33.56 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.932 0.716 . . . . 18.33 112.932 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' PHE . . . . . 0.776 ' HB2' ' O ' ' A' ' 31' ' ' HOH . 2.5 m-85 -109.84 137.23 47.92 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.732 -1.21 . . . . 32.8 107.732 170.652 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -108.92 109.24 20.28 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 108.496 -0.927 . . . . 21.39 108.496 175.467 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' THR . . . . . 0.583 HG23 ' O ' ' D' ' 38' ' ' HOH . 7.3 m -130.5 84.1 60.29 Favored Pre-proline 0 C--O 1.215 -0.748 0 N-CA-C 114.342 1.238 . . . . 26.17 114.342 -172.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -70.46 150.52 64.1 Favored 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 125.566 4.177 . . . . 25.15 112.386 174.97 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.89 145.31 56.47 Favored 'General case' 0 C--O 1.262 1.743 0 CA-C-N 115.517 -0.765 . . . . 40.91 111.036 168.978 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.251 1.166 0 CA-C-N 114.208 -1.36 . . . . 43.57 113.345 174.784 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 107.887 -2.085 . . . . 29.68 107.887 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -51.37 -39.45 21.79 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 N-CA-C 114.816 1.413 . . . . 27.72 114.816 -177.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.64 -46.3 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-O 121.72 0.771 . . . . 30.55 110.373 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -66.93 -46.83 73.57 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 118.148 -1.421 . . . . 35.91 112.886 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -57.77 -48.32 79.99 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 115.644 1.72 . . . . 44.43 115.644 175.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 78.3 m -109.12 -22.16 12.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.996 1.85 . . . . 28.84 115.996 -169.606 -63.798 -80.493 105.09 103.241 2.061 101.672 -150.961 76.431 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.8 -56.26 2.24 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 119.758 -0.777 . . . . 28.67 112.59 -178.971 174.4 63.417 97.904 107.695 2.003 102.84 -83.137 -57.708 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 27.3 m -66.28 -59.39 3.77 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 106.953 -1.499 . . . . 32.77 106.953 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 39.5 t -83.99 -168.68 2.24 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 120.702 -0.399 . . . . 31.57 110.266 163.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' ILE . . . . . 0.836 HD12 ' HB2' ' D' ' 3' ' ' ASN . 35.7 pt -114.65 153.72 16.12 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 C-N-CA 124.097 0.959 . . . . 30.04 111.74 175.204 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 13.7 p -142.73 159.57 41.98 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 117.653 -1.619 . . . . 30.31 112.473 177.68 76.431 -150.961 105.09 101.672 2.061 103.241 -80.493 -63.798 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -86.54 163.02 17.73 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.905 -0.589 . . . . 28.34 109.814 178.847 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.87 -31.5 71.78 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.72 -0.218 . . . . 33.63 110.97 173.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -62.0 -42.81 99.56 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 113.786 1.032 . . . . 46.39 113.786 170.424 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.13 -40.85 91.2 Favored 'General case' 0 C--O 1.209 -1.061 0 C-N-CA 119.767 -0.773 . . . . 40.9 110.398 173.734 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.31 -29.82 66.18 Favored 'General case' 0 C--O 1.253 1.27 0 N-CA-C 114.574 1.324 . . . . 25.33 114.574 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' GLU . . . . . 0.549 ' HG2' ' CG1' ' D' ' 18' ' ' VAL . 22.6 mt-10 -62.52 -18.68 62.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.299 -0.864 . . . . 31.47 112.668 176.693 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -57.7 -26.54 61.88 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.358 0.663 . . . . 26.23 111.687 173.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -103.16 10.61 37.75 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 112.369 0.507 . . . . 26.67 112.369 -174.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 80.5 m -76.42 148.0 37.59 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 119.151 -1.02 . . . . 20.74 110.702 171.197 -60.362 -38.927 -85.324 108.434 2.039 104.36 -61.096 -59.005 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.241 0.614 0 CA-C-O 123.61 1.671 . . . . 31.44 111.981 175.091 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 110.439 -0.208 . . . . 61.54 110.439 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.53 152.31 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-O 120.824 0.345 . . . . 54.76 111.396 170.755 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 3' ' ' ASN . . . . . 0.836 ' HB2' HD12 ' C' ' 10' ' ' ILE . 27.9 m-20 -79.16 -176.4 5.11 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.056 1.132 . . . . 50.39 114.056 -168.603 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -120.39 153.89 35.89 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.704 1.001 . . . . 46.51 113.704 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -82.18 129.38 34.82 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.262 -1.385 . . . . 32.59 107.262 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 79.5 mt -122.7 112.65 18.19 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.565 1.146 . . . . 24.8 110.223 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 65.8 m -126.24 150.03 48.67 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.036 -0.666 . . . . 27.79 112.235 -176.708 -57.708 -83.137 97.904 102.84 2.003 107.695 63.417 174.4 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.62 -132.86 52.02 Favored Glycine 0 N--CA 1.479 1.55 0 O-C-N 123.627 0.579 . . . . 20.85 112.247 169.005 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' SER . . . . . 0.541 ' HA ' HG22 ' D' ' 12' ' ' VAL . 33.8 p -60.93 -24.66 66.2 Favored 'General case' 0 C--O 1.202 -1.437 0 C-N-CA 117.529 -1.668 . . . . 22.48 114.382 -179.423 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -70.5 -35.82 73.44 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 118.939 0.79 . . . . 21.11 111.209 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 18.2 tp -65.11 -46.17 82.13 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 125.23 1.581 . . . . 18.22 108.194 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' D' ' 9' ' ' SER . 32.7 m -66.55 -35.4 74.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 C-N-CA 119.188 -1.005 . . . . 19.48 110.977 -179.561 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -61.36 -38.01 85.41 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 119.353 -0.939 . . . . 35.29 110.968 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.03 -42.4 76.42 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.725 -0.67 . . . . 14.79 110.791 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 mt -57.3 -43.82 83.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 118.882 -1.127 . . . . 19.18 112.164 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.54 -46.1 87.52 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 115.639 -0.709 . . . . 21.75 110.285 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.31 -49.37 78.09 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 121.095 0.474 . . . . 28.13 112.04 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' VAL . . . . . 0.549 ' CG1' ' HG2' ' C' ' 17' ' ' GLU . 55.4 t -70.61 -39.79 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 115.281 -0.872 . . . . 22.01 112.891 -177.362 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 78.5 m -94.42 -39.68 10.32 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 114.655 1.354 . . . . 20.79 114.655 -171.687 -59.005 -61.096 -85.324 104.36 2.039 108.434 -38.927 -60.362 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.88 -121.66 5.33 Favored Glycine 0 N--CA 1.488 2.162 0 O-C-N 125.052 1.47 . . . . 24.21 113.355 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' D' ' 21' ' ' GLU . 0.0 OUTLIER -65.3 -21.5 66.72 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.547 1.314 . . . . 45.54 114.547 -173.644 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -63.36 -31.01 72.04 Favored 'General case' 0 C--O 1.269 2.122 0 CA-C-O 122.12 0.962 . . . . 30.5 110.62 173.711 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.78 -178.53 53.66 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 106.459 -2.656 . . . . 20.15 106.459 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -160.02 173.42 15.88 Favored 'General case' 0 C--O 1.253 1.276 0 C-N-CA 120.668 -0.413 . . . . 16.08 110.952 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -124.38 137.51 54.46 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.639 -0.875 . . . . 19.47 108.639 170.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -113.6 103.13 10.94 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 106.233 -1.766 . . . . 22.9 106.233 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' THR . . . . . 0.445 HG22 ' OD1' ' A' ' 21' ' ' ASN . 24.5 p -127.24 75.96 76.66 Favored Pre-proline 0 N--CA 1.494 1.76 0 C-N-CA 120.27 -0.572 . . . . 24.9 110.769 -172.925 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -63.82 -22.02 69.23 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 121.644 1.562 . . . . 30.38 113.556 -172.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -71.35 -24.65 62.13 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.233 -1.025 . . . . 45.22 108.233 -178.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.254 1.291 0 CA-C-N 115.059 -0.973 . . . . 36.26 112.276 -176.753 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 31' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 31' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 31' ' ' HOH . . . . . 0.776 ' O ' ' HB2' ' B' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . 0.924 ' O ' HG12 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 65' ' ' HOH . . . . . 0.626 ' O ' ' HB3' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 38' ' ' HOH . . . . . 0.583 ' O ' HG23 ' B' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.714 0 N-CA-C 105.846 -2.902 . . . . 24.149999999999999 105.846 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 9.4 tp -50.23 -42.63 20.5 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.944 0 N-CA-C 116.15 1.907 . . . . 25.309999999999999 116.15 177.717 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 91.6 t -59.09 -44.72 92.15 Favored 'Isoleucine or valine' 0 C--O 1.258 1.552 0 N-CA-C 109.399 -0.593 . . . . 27.41 109.399 -178.701 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 25.2 mp0 -71.25 -51.72 23.01 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 115.109 -0.95 . . . . 28.050000000000001 112.189 179.837 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 24.0 tt0 -50.09 -46.46 53.49 Favored 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 116.624 2.083 . . . . 31.140000000000001 116.624 177.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 84.0 m -65.13 -33.74 76.75 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.185 -0.947 . . . . 18.48 111.162 -177.351 -67.516 -76.187 110.551 102.512 1.997 102.485 -155.29 63.478 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 45.3 t -80.97 -43.5 19.6 Favored 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 114.68 1.363 . . . . 23.559999999999999 114.68 -177.608 -173.072 49.44 97.813 103.345 2.025 104.597 -85.547 -61.019 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 22.4 p -87.6 -38.93 15.5 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-O 121.462 0.649 . . . . 28.5 109.259 -173.548 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' SER . . . . . 0.803 ' O ' HG23 ' A' ' 10' ' ' ILE . 25.6 t -109.1 -96.49 0.39 Allowed 'General case' 0 CA--C 1.569 1.706 0 N-CA-C 114.703 1.371 . . . . 31.699999999999999 114.703 -178.703 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.924 HG12 ' O ' ' A' ' 53' ' ' HOH . 23.3 pt -177.64 152.29 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 N-CA-C 102.826 -3.028 . . . . 28.699999999999999 102.826 177.343 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.5 p -145.89 163.85 33.82 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 125.384 1.678 . . . . 19.91 111.339 178.081 63.478 -155.29 110.551 102.485 1.997 102.512 -76.187 -67.516 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.7 p -106.56 159.15 16.4 Favored 'General case' 0 C--O 1.266 1.952 0 N-CA-C 108.657 -0.868 . . . . 17.640000000000001 108.657 -173.914 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 98.0 mt -61.15 -28.62 69.25 Favored 'General case' 0 CA--C 1.508 -0.64 0 C-N-CA 117.495 -1.682 . . . . 20.329999999999998 109.823 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -67.47 -39.32 85.26 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-O 118.105 -0.95 . . . . 30.350000000000001 113.532 -179.949 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -61.52 -37.88 85.34 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 124.042 0.839 . . . . 22.170000000000002 111.497 171.29 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 73.8 mt -65.8 -29.36 69.84 Favored 'General case' 0 C--O 1.252 1.213 0 N-CA-C 112.685 0.624 . . . . 21.699999999999999 112.685 179.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -66.16 -20.31 66.1 Favored 'General case' 0 N--CA 1.424 -1.728 0 N-CA-C 108.847 -0.797 . . . . 34.380000000000003 108.847 -174.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -63.52 -20.38 65.56 Favored 'General case' 0 CA--C 1.559 1.292 0 N-CA-C 113.376 0.88 . . . . 32.020000000000003 113.376 176.088 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 83.9 m-85 -98.57 3.71 48.06 Favored 'General case' 0 CA--C 1.495 -1.164 0 CA-C-N 117.642 0.201 . . . . 28.93 111.247 -174.833 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 68.9 m -73.0 154.58 40.45 Favored 'General case' 0 C--O 1.206 -1.216 0 O-C-N 124.838 1.336 . . . . 21.859999999999999 108.741 176.355 -58.25 -42.735 -82.159 107.064 2.04 102.267 -61.886 -61.389 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.626 ' HB3' ' O ' ' A' ' 65' ' ' HOH . 63.9 m-20 . . . . . 0 C--O 1.245 0.831 0 CA-C-O 122.69 1.233 . . . . 38.119999999999997 107.731 178.591 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 . . . . . 0 N--CA 1.497 1.906 0 N-CA-C 108.374 -0.973 . . . . 32.619999999999997 108.374 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 33.3 m -110.82 166.85 5.23 Favored 'Isoleucine or valine' 0 C--O 1.253 1.268 0 C-N-CA 120.205 -0.598 . . . . 30.59 109.435 -178.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -76.34 163.93 26.52 Favored 'General case' 0 C--O 1.237 0.414 0 O-C-N 124.491 1.12 . . . . 33.719999999999999 112.564 172.327 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 7.3 mm100 -139.67 130.67 26.31 Favored 'General case' 0 CA--C 1.518 -0.285 0 O-C-N 124.35 1.031 . . . . 28.920000000000002 111.221 -153.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' HIS . . . . . . . . . . . . . 20.0 t-160 -107.24 106.85 17.51 Favored 'General case' 0 N--CA 1.432 -1.344 0 N-CA-C 108.568 -0.901 . . . . 28.510000000000002 108.568 168.947 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -134.05 112.05 10.87 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.632 1.345 . . . . 22.0 114.632 -167.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' CYS . . . . . . . . . . . . . 76.8 m -115.91 151.16 35.89 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 124.83 1.252 . . . . 24.34 111.62 178.242 -61.019 -85.547 97.813 104.597 2.025 103.345 49.44 -173.072 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLY . . . . . . . . . . . . . . . 54.51 -135.41 45.23 Favored Glycine 0 N--CA 1.48 1.612 0 N-CA-C 116.565 1.386 . . . . 18.129999999999999 116.565 175.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' SER . . . . . . . . . . . . . 71.7 p -57.11 -25.76 59.34 Favored 'General case' 0 CA--C 1.549 0.914 0 N-CA-C 113.173 0.805 . . . . 19.960000000000001 113.173 177.926 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -62.23 -35.01 77.62 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 112.44 0.533 . . . . 17.899999999999999 112.44 179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 22.6 tp -64.53 -44.4 90.96 Favored 'General case' 0 C--O 1.206 -1.189 0 C-N-CA 120.218 -0.593 . . . . 19.73 111.285 173.061 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 54.1 t -65.15 -36.32 77.5 Favored 'Isoleucine or valine' 0 C--O 1.251 1.154 0 O-C-N 121.813 -0.554 . . . . 22.0 109.775 -175.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -59.77 -45.55 91.94 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-N 115.057 -0.974 . . . . 36.950000000000003 111.014 175.397 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.63 -41.23 96.3 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 113.12 0.785 . . . . 13.76 113.12 178.746 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 34.8 mt -58.61 -47.58 83.87 Favored 'General case' 0 C--O 1.246 0.909 0 CA-C-O 119.394 -0.336 . . . . 15.81 110.956 175.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' TYR . . . . . 0.426 ' HB2' HG21 ' D' ' 12' ' ' VAL . 94.1 t80 -55.5 -50.18 70.61 Favored 'General case' 0 N--CA 1.438 -1.029 0 O-C-N 125.782 1.926 . . . . 24.960000000000001 109.384 178.451 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 78.0 mt -61.64 -44.18 97.46 Favored 'General case' 0 N--CA 1.499 1.978 0 N-CA-C 114.418 1.266 . . . . 27.579999999999998 114.418 177.617 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 12.8 t -70.32 -36.3 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 CA-C-N 115.574 -0.739 . . . . 20.600000000000001 111.146 -174.666 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 74.8 m -95.2 -29.02 14.74 Favored 'General case' 0 C--O 1.263 1.803 0 C-N-CA 118.916 -1.114 . . . . 24.98 111.977 -168.938 -61.389 -61.886 -82.159 102.267 2.04 107.064 -42.735 -58.25 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . 31.31 -118.2 0.1 Allowed Glycine 0 C--O 1.259 1.688 0 O-C-N 125.048 1.467 . . . . 30.390000000000001 115.987 -162.577 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 24.2 pt-20 -64.84 -22.09 66.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 113.429 0.9 . . . . 42.93 113.429 -168.229 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.569 ' O ' ' HB2' ' A' ' 21' ' ' ASN . 45.3 mtm180 -56.14 -27.18 53.13 Favored 'General case' 0 N--CA 1.44 -0.959 0 O-C-N 123.577 0.548 . . . . 36.659999999999997 112.352 174.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.55 179.95 9.1 Favored Glycine 0 N--CA 1.467 0.762 0 N-CA-C 114.662 0.625 . . . . 23.559999999999999 114.662 -161.69 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' PHE . . . . . . . . . . . . . 55.2 p90 -155.61 166.42 33.56 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 112.932 0.716 . . . . 18.329999999999998 112.932 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' PHE . . . . . 0.776 ' HB2' ' O ' ' A' ' 31' ' ' HOH . 2.5 m-85 -109.84 137.23 47.92 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 107.732 -1.21 . . . . 32.799999999999997 107.732 170.652 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -108.92 109.24 20.28 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 108.496 -0.927 . . . . 21.390000000000001 108.496 175.467 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' THR . . . . . 0.583 HG23 ' O ' ' D' ' 38' ' ' HOH . 7.3 m -130.5 84.1 60.29 Favored Pre-proline 0 C--O 1.215 -0.748 0 N-CA-C 114.342 1.238 . . . . 26.170000000000002 114.342 -172.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -70.46 150.52 64.1 Favored 'Trans proline' 0 C--N 1.357 1.016 1 C-N-CA 125.566 4.177 . . . . 25.149999999999999 112.386 174.97 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.89 145.31 56.47 Favored 'General case' 0 C--O 1.262 1.743 0 CA-C-N 115.517 -0.765 . . . . 40.909999999999997 111.036 168.978 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 C--O 1.251 1.166 0 CA-C-N 114.208 -1.36 . . . . 43.57 113.345 174.784 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 107.887 -2.085 . . . . 29.68 107.887 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' ILE . . . . . . . . . . . . . 9.8 tt -51.37 -39.45 21.79 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.235 0 N-CA-C 114.816 1.413 . . . . 27.719999999999999 114.816 -177.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.64 -46.3 95.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 CA-C-O 121.72 0.771 . . . . 30.550000000000001 110.373 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' GLU . . . . . . . . . . . . . 23.0 mp0 -66.93 -46.83 73.57 Favored 'General case' 0 C--O 1.244 0.766 0 C-N-CA 118.148 -1.421 . . . . 35.909999999999997 112.886 178.465 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' GLN . . . . . . . . . . . . . 11.2 mm-40 -57.77 -48.32 79.99 Favored 'General case' 0 C--O 1.248 0.99 0 N-CA-C 115.644 1.72 . . . . 44.43 115.644 175.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' CYS . . . . . . . . . . . . . 78.3 m -109.12 -22.16 12.26 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 115.996 1.85 . . . . 28.84 115.996 -169.606 -63.798 -80.493 105.09 103.241 2.061 101.672 -150.961 76.431 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' CYS . . . . . . . . . . . . . 36.8 t -103.8 -56.26 2.24 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 119.758 -0.777 . . . . 28.670000000000002 112.59 -178.971 174.4 63.417 97.904 107.695 2.003 102.84 -83.137 -57.708 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' THR . . . . . . . . . . . . . 27.3 m -66.28 -59.39 3.77 Favored 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 106.953 -1.499 . . . . 32.770000000000003 106.953 178.741 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' SER . . . . . . . . . . . . . 39.5 t -83.99 -168.68 2.24 Favored 'General case' 0 CA--C 1.559 1.316 0 C-N-CA 120.702 -0.399 . . . . 31.57 110.266 163.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.836 HD12 ' HB2' ' D' ' 3' ' ' ASN . 35.7 pt -114.65 153.72 16.12 Favored 'Isoleucine or valine' 0 C--O 1.252 1.222 0 C-N-CA 124.097 0.959 . . . . 30.039999999999999 111.74 175.204 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' CYS . . . . . . . . . . . . . 13.7 p -142.73 159.57 41.98 Favored 'General case' 0 C--O 1.242 0.709 0 C-N-CA 117.653 -1.619 . . . . 30.309999999999999 112.473 177.68 76.431 -150.961 105.09 101.672 2.061 103.241 -80.493 -63.798 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 79.7 p -86.54 163.02 17.73 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-N 115.905 -0.589 . . . . 28.34 109.814 178.847 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' LEU . . . . . . . . . . . . . 21.7 mt -61.87 -31.5 71.78 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 116.72 -0.218 . . . . 33.630000000000003 110.97 173.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -62.0 -42.81 99.56 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 113.786 1.032 . . . . 46.390000000000001 113.786 170.424 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -60.13 -40.85 91.2 Favored 'General case' 0 C--O 1.209 -1.061 0 C-N-CA 119.767 -0.773 . . . . 40.899999999999999 110.398 173.734 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 16.9 mt -58.31 -29.82 66.18 Favored 'General case' 0 C--O 1.253 1.27 0 N-CA-C 114.574 1.324 . . . . 25.329999999999998 114.574 179.533 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' GLU . . . . . 0.549 ' HG2' ' CG1' ' D' ' 18' ' ' VAL . 22.6 mt-10 -62.52 -18.68 62.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.299 -0.864 . . . . 31.469999999999999 112.668 176.693 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -57.7 -26.54 61.88 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.358 0.663 . . . . 26.23 111.687 173.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' TYR . . . . . . . . . . . . . 54.4 m-85 -103.16 10.61 37.75 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 112.369 0.507 . . . . 26.670000000000002 112.369 -174.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' CYS . . . . . . . . . . . . . 80.5 m -76.42 148.0 37.59 Favored 'General case' 0 N--CA 1.49 1.528 0 C-N-CA 119.151 -1.02 . . . . 20.739999999999998 110.702 171.197 -60.362 -38.927 -85.324 108.434 2.039 104.36 -61.096 -59.005 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 . . . . . 0 C--O 1.241 0.614 0 CA-C-O 123.61 1.671 . . . . 31.440000000000001 111.981 175.091 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 110.439 -0.208 . . . . 61.539999999999999 110.439 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -70.53 152.31 8.94 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 CA-C-O 120.824 0.345 . . . . 54.759999999999998 111.396 170.755 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' ASN . . . . . 0.836 ' HB2' HD12 ' C' ' 10' ' ' ILE . 27.9 m-20 -79.16 -176.4 5.11 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.056 1.132 . . . . 50.390000000000001 114.056 -168.603 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -120.39 153.89 35.89 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 113.704 1.001 . . . . 46.509999999999998 113.704 -175.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -82.18 129.38 34.82 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.262 -1.385 . . . . 32.590000000000003 107.262 176.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' LEU . . . . . . . . . . . . . 79.5 mt -122.7 112.65 18.19 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 124.565 1.146 . . . . 24.800000000000001 110.223 177.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' CYS . . . . . . . . . . . . . 65.8 m -126.24 150.03 48.67 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.036 -0.666 . . . . 27.789999999999999 112.235 -176.708 -57.708 -83.137 97.904 102.84 2.003 107.695 63.417 174.4 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' GLY . . . . . . . . . . . . . . . 56.62 -132.86 52.02 Favored Glycine 0 N--CA 1.479 1.55 0 O-C-N 123.627 0.579 . . . . 20.850000000000001 112.247 169.005 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' SER . . . . . 0.541 ' HA ' HG22 ' D' ' 12' ' ' VAL . 33.8 p -60.93 -24.66 66.2 Favored 'General case' 0 C--O 1.202 -1.437 0 C-N-CA 117.529 -1.668 . . . . 22.48 114.382 -179.423 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -70.5 -35.82 73.44 Favored 'General case' 0 N--CA 1.442 -0.839 0 CA-C-N 118.939 0.79 . . . . 21.109999999999999 111.209 -178.999 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' LEU . . . . . . . . . . . . . 18.2 tp -65.11 -46.17 82.13 Favored 'General case' 0 N--CA 1.431 -1.384 0 O-C-N 125.23 1.581 . . . . 18.219999999999999 108.194 177.47 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.541 HG22 ' HA ' ' D' ' 9' ' ' SER . 32.7 m -66.55 -35.4 74.77 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.62 0 C-N-CA 119.188 -1.005 . . . . 19.48 110.977 -179.561 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -61.36 -38.01 85.41 Favored 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 119.353 -0.939 . . . . 35.289999999999999 110.968 176.423 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.03 -42.4 76.42 Favored 'General case' 0 N--CA 1.484 1.269 0 CA-C-N 115.725 -0.67 . . . . 14.789999999999999 110.791 178.318 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 28.3 mt -57.3 -43.82 83.54 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 118.882 -1.127 . . . . 19.18 112.164 175.147 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -58.54 -46.1 87.52 Favored 'General case' 0 CA--C 1.562 1.42 0 CA-C-N 115.639 -0.709 . . . . 21.75 110.285 178.894 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.31 -49.37 78.09 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 121.095 0.474 . . . . 28.129999999999999 112.04 -179.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.549 ' CG1' ' HG2' ' C' ' 17' ' ' GLU . 55.4 t -70.61 -39.79 76.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 CA-C-N 115.281 -0.872 . . . . 22.010000000000002 112.891 -177.362 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' CYS . . . . . . . . . . . . . 78.5 m -94.42 -39.68 10.32 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 114.655 1.354 . . . . 20.789999999999999 114.655 -171.687 -59.005 -61.096 -85.324 104.36 2.039 108.434 -38.927 -60.362 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' GLY . . . . . . . . . . . . . . . 45.88 -121.66 5.33 Favored Glycine 0 N--CA 1.488 2.162 0 O-C-N 125.052 1.47 . . . . 24.210000000000001 113.355 -178.266 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' GLU . . . . . 0.407 ' H ' ' HG3' ' D' ' 21' ' ' GLU . 0.0 OUTLIER -65.3 -21.5 66.72 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 114.547 1.314 . . . . 45.539999999999999 114.547 -173.644 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -63.36 -31.01 72.04 Favored 'General case' 0 C--O 1.269 2.122 0 CA-C-O 122.12 0.962 . . . . 30.5 110.62 173.711 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.78 -178.53 53.66 Favored Glycine 0 C--N 1.339 0.724 0 N-CA-C 106.459 -2.656 . . . . 20.149999999999999 106.459 179.936 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -160.02 173.42 15.88 Favored 'General case' 0 C--O 1.253 1.276 0 C-N-CA 120.668 -0.413 . . . . 16.079999999999998 110.952 -177.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -124.38 137.51 54.46 Favored 'General case' 0 C--O 1.235 0.339 0 N-CA-C 108.639 -0.875 . . . . 19.469999999999999 108.639 170.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -113.6 103.13 10.94 Favored 'General case' 0 C--O 1.246 0.906 0 N-CA-C 106.233 -1.766 . . . . 22.899999999999999 106.233 176.116 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' THR . . . . . 0.598 HG22 ' ND2' ' A' ' 21' ' ' ASN . 24.5 p -127.24 75.96 76.66 Favored Pre-proline 0 N--CA 1.494 1.76 0 C-N-CA 120.27 -0.572 . . . . 24.899999999999999 110.769 -172.925 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 28' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_endo -63.82 -22.02 69.23 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 121.644 1.562 . . . . 30.379999999999999 113.556 -172.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -71.35 -24.65 62.13 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.233 -1.025 . . . . 45.219999999999999 108.233 -178.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 30' ' ' THR . . . . . . . . . . . . . 33.9 m . . . . . 0 C--O 1.254 1.291 0 CA-C-N 115.059 -0.973 . . . . 36.259999999999998 112.276 -176.753 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 31' ' ' ' SR' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' HOH . . . . . 0.776 ' O ' ' HB2' ' B' ' 25' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . 0.924 ' O ' HG12 ' A' ' 10' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' HOH . . . . . 0.626 ' O ' ' HB3' ' A' ' 21' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 32' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 38' ' ' HOH . . . . . 0.583 ' O ' HG23 ' B' ' 27' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 48' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_