data_1u9h_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 1u9h _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 ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.035 . . . . . . . . 42.159999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -67.59 -23.11 65.35 Favored 'General case' 0 C--O 1.201 -1.494 0 C-N-CA 119.3 -0.96 . . . . 52.619999999999997 111.94 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 35.2 tpp -75.32 -43.05 52.89 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 107.442 -1.318 . . . . 46.990000000000002 107.442 -175.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -70.53 -37.14 74.05 Favored 'General case' 0 C--O 1.202 -1.437 0 N-CA-C 113.236 0.828 . . . . 43.93 113.236 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -51.67 -44.56 63.11 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 123.074 0.55 . . . . 46.32 110.16 167.848 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mt -69.1 -41.14 81.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 C-N-CA 122.809 0.444 . . . . 37.630000000000003 111.49 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -66.0 -35.39 80.43 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 115.831 -0.622 . . . . 41.920000000000002 110.447 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -65.48 -40.34 93.01 Favored 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 114.321 1.23 . . . . 43.109999999999999 114.321 172.567 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -63.97 -39.09 93.35 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 108.811 -0.811 . . . . 37.590000000000003 108.811 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.57 -39.29 83.6 Favored 'General case' 0 C--O 1.186 -2.245 0 O-C-N 120.656 -1.278 . . . . 29.989999999999998 111.86 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' OE2' ' NZ ' ' B' ' 8' ' ' LYS . 80.2 mm-40 -70.02 -40.0 75.48 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 114.805 1.409 . . . . 43.289999999999999 114.805 178.007 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -61.7 -34.49 75.85 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 109.597 -0.52 . . . . 38.640000000000001 109.597 172.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.43 -40.27 72.31 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.542 0 CA-C-O 118.168 -0.92 . . . . 30.539999999999999 110.228 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -67.36 -40.58 85.81 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.2 1.926 . . . . 28.93 116.2 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.7 m -58.46 -51.99 67.52 Favored 'General case' 0 C--O 1.19 -2.055 0 C-N-CA 122.52 0.328 . . . . 32.32 111.373 171.172 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -51.21 -42.89 61.25 Favored 'General case' 0 C--O 1.196 -1.748 0 N-CA-C 115.197 1.554 . . . . 31.359999999999999 115.197 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.88 -35.34 78.34 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-N 119.351 0.978 . . . . 33.640000000000001 110.526 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -57.58 -52.95 63.32 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.608 -0.437 . . . . 43.68 110.933 172.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -58.11 -42.1 85.01 Favored 'General case' 0 C--O 1.192 -1.952 0 N-CA-C 112.737 0.643 . . . . 47.159999999999997 112.737 176.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 63.0 mt -59.87 -51.24 75.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 O-C-N 120.694 -1.254 . . . . 39.210000000000001 110.543 176.55 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -59.6 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.066 -1.827 . . . . 49.75 106.066 -175.762 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -85.65 -16.92 37.6 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.524 -1.217 . . . . 47.390000000000001 112.419 -167.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' TA4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.79 -50.01 72.7 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.338 0.495 . . . . 44.090000000000003 112.338 -172.486 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' NH2' ' O ' ' A' ' 48' ' ' HOH . 4.8 mmm180 -66.42 -34.2 77.42 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 115.659 1.726 . . . . 64.719999999999999 115.659 178.871 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -77.0 -37.59 26.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 C-N-CA 117.79 -1.564 . . . . 44.770000000000003 110.974 175.929 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -56.45 -39.26 72.84 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 121.378 -0.827 . . . . 49.090000000000003 111.42 171.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -66.76 -45.94 76.94 Favored 'General case' 0 C--O 1.213 -0.824 0 C-N-CA 123.912 0.885 . . . . 49.649999999999999 110.753 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.8 tp -53.76 -50.01 66.95 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.317 -0.856 . . . . 45.0 110.466 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 32.4 mt -88.48 -2.35 58.55 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.429 2.011 . . . . 49.719999999999999 116.429 -173.408 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 59.86 79.32 0.11 Allowed Glycine 0 C--O 1.253 1.292 0 N-CA-C 111.237 -0.745 . . . . 55.640000000000001 111.237 -173.932 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . 0.692 ' OE1' ' NE ' ' B' ' 24' ' ' ARG . 96.3 mt-10 . . . . . 0 C--O 1.22 -0.453 0 N-CA-C 114.351 1.241 . . . . 64.120000000000005 114.351 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.221 . . . . . . . . 48.649999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -91.8 -26.98 18.29 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 111.827 0.306 . . . . 52.590000000000003 111.827 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' MET . . . . . . . . . . . . . 46.5 tpp -72.47 -31.69 65.62 Favored 'General case' 0 C--O 1.192 -1.964 0 O-C-N 123.816 0.697 . . . . 52.189999999999998 111.012 177.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -78.28 -39.97 38.33 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 124.097 0.959 . . . . 53.229999999999997 111.944 -178.068 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -55.3 -29.16 57.68 Favored 'General case' 0 C--O 1.189 -2.129 0 C-N-CA 124.039 0.935 . . . . 59.549999999999997 112.124 171.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.4 mt -79.85 -49.55 19.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 124.346 1.059 . . . . 41.149999999999999 111.476 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -47.31 -57.36 5.33 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 124.85 1.26 . . . . 47.140000000000001 111.185 170.17 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.6 -32.47 72.59 Favored 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 116.693 2.109 . . . . 38.049999999999997 116.693 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' LYS . . . . . 0.549 ' NZ ' ' OE2' ' A' ' 10' ' ' GLU . 29.5 mttm -78.7 -31.27 46.44 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-N 118.818 0.736 . . . . 34.969999999999999 110.447 178.015 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.61 -37.96 89.31 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.503 1.297 . . . . 27.539999999999999 114.503 168.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -66.29 -38.83 88.66 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-O 123.705 1.717 . . . . 40.170000000000002 113.864 171.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -60.56 -44.99 95.54 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.918 -1.492 . . . . 33.240000000000002 113.104 175.965 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.41 -48.96 79.17 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 0 C-N-CA 124.919 1.288 . . . . 30.350000000000001 112.595 172.512 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.51 -42.25 96.01 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.339 0.866 . . . . 32.979999999999997 113.339 172.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -63.58 -42.91 98.27 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 118.423 -1.311 . . . . 35.689999999999998 111.689 175.125 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -63.34 -39.44 94.56 Favored 'General case' 0 C--O 1.178 -2.693 0 CA-C-O 118.712 -0.661 . . . . 36.799999999999997 109.481 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.67 -42.84 97.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 116.031 1.863 . . . . 33.049999999999997 116.031 173.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -62.37 -38.7 90.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.878 -0.601 . . . . 33.079999999999998 111.253 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' HIS . . . . . 0.532 ' O ' ' C ' ' B' ' 19' ' ' ILE . 2.5 t-160 -69.52 -51.09 38.91 Favored 'General case' 0 C--O 1.206 -1.205 0 O-C-N 124.39 1.056 . . . . 47.659999999999997 111.341 174.919 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' B' ' 18' ' ' HIS . 37.9 mt -42.17 -50.23 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 C-N-CA 117.143 -1.823 . . . . 39.799999999999997 107.881 171.787 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.82 -34.93 79.53 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 115.151 1.537 . . . . 48.359999999999999 115.151 -169.945 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -113.6 87.34 2.59 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 103.937 -2.616 . . . . 48.829999999999998 103.937 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' TA4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.88 38.57 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.193 0.812 . . . . 45.259999999999998 113.193 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ARG . . . . . 0.692 ' NE ' ' OE1' ' A' ' 31' ' ' GLU . 2.7 mmm180 -73.88 -27.77 61.22 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 113.933 1.086 . . . . 62.979999999999997 113.933 -174.456 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 2.2 mt -74.6 -40.82 48.35 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.361 0 CA-C-N 116.627 -0.261 . . . . 46.880000000000003 111.008 174.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -64.67 -38.69 91.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.997 -0.742 . . . . 50.770000000000003 108.997 -178.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 ttpt -68.97 -59.05 3.31 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 115.208 -0.905 . . . . 55.5 111.756 176.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -36.61 -49.78 0.77 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 122.555 1.169 . . . . 51.18 114.085 169.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 114.892 -1.049 . . . . 50.469999999999999 110.911 171.466 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HOH . . . . . 0.464 ' O ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' 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 ' 41' ' ' 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 ' 44' ' ' 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 ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.035 . . . . . . . . 42.159999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -67.59 -23.11 65.35 Favored 'General case' 0 C--O 1.201 -1.494 0 C-N-CA 119.3 -0.96 . . . . 52.619999999999997 111.94 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 35.2 tpp -75.32 -43.05 52.89 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 107.442 -1.318 . . . . 46.990000000000002 107.442 -175.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -70.53 -37.14 74.05 Favored 'General case' 0 C--O 1.202 -1.437 0 N-CA-C 113.236 0.828 . . . . 43.93 113.236 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -51.67 -44.56 63.11 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 123.074 0.55 . . . . 46.32 110.16 167.848 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mt -69.1 -41.14 81.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 C-N-CA 122.809 0.444 . . . . 37.630000000000003 111.49 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -66.0 -35.39 80.43 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 115.831 -0.622 . . . . 41.920000000000002 110.447 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -65.48 -40.34 93.01 Favored 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 114.321 1.23 . . . . 43.109999999999999 114.321 172.567 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -63.97 -39.09 93.35 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 108.811 -0.811 . . . . 37.590000000000003 108.811 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.57 -39.29 83.6 Favored 'General case' 0 C--O 1.186 -2.245 0 O-C-N 120.656 -1.278 . . . . 29.989999999999998 111.86 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.02 -40.0 75.48 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 114.805 1.409 . . . . 43.289999999999999 114.805 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -61.7 -34.49 75.85 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 109.597 -0.52 . . . . 38.640000000000001 109.597 172.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.43 -40.27 72.31 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.542 0 CA-C-O 118.168 -0.92 . . . . 30.539999999999999 110.228 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -67.36 -40.58 85.81 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.2 1.926 . . . . 28.93 116.2 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.7 m -58.46 -51.99 67.52 Favored 'General case' 0 C--O 1.19 -2.055 0 C-N-CA 122.52 0.328 . . . . 32.32 111.373 171.172 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -51.21 -42.89 61.25 Favored 'General case' 0 C--O 1.196 -1.748 0 N-CA-C 115.197 1.554 . . . . 31.359999999999999 115.197 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.88 -35.34 78.34 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-N 119.351 0.978 . . . . 33.640000000000001 110.526 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -57.58 -52.95 63.32 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.608 -0.437 . . . . 43.68 110.933 172.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -58.11 -42.1 85.01 Favored 'General case' 0 C--O 1.192 -1.952 0 N-CA-C 112.737 0.643 . . . . 47.159999999999997 112.737 176.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ILE . . . . . 0.526 HG23 ' CD2' ' A' ' 22' ' ' TA4 . 63.0 mt -59.87 -51.24 75.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 O-C-N 120.694 -1.254 . . . . 39.210000000000001 110.543 176.55 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -59.6 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.066 -1.827 . . . . 49.75 106.066 -175.762 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -85.65 -16.92 37.6 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.524 -1.217 . . . . 47.390000000000001 112.419 -167.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' TA4 . . . . . 0.526 ' CD2' HG23 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.79 -50.01 72.7 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.338 0.495 . . . . 44.090000000000003 112.338 -172.486 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' NH2' ' O ' ' A' ' 48' ' ' HOH . 4.8 mmm180 -66.42 -34.2 77.42 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 115.659 1.726 . . . . 64.719999999999999 115.659 178.871 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' B' ' 24' ' ' ARG . 0.1 OUTLIER -77.0 -37.59 26.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 C-N-CA 117.79 -1.564 . . . . 44.770000000000003 110.974 175.929 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -56.45 -39.26 72.84 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 121.378 -0.827 . . . . 49.090000000000003 111.42 171.645 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -66.76 -45.94 76.94 Favored 'General case' 0 C--O 1.213 -0.824 0 C-N-CA 123.912 0.885 . . . . 49.649999999999999 110.753 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.8 tp -53.76 -50.01 66.95 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.317 -0.856 . . . . 45.0 110.466 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD13 ' NH2' ' B' ' 24' ' ' ARG . 32.4 mt -88.48 -2.35 58.55 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.429 2.011 . . . . 49.719999999999999 116.429 -173.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLY . . . . . 0.533 ' HA3' ' O ' ' A' ' 36' ' ' HOH . . . 59.86 79.32 0.11 Allowed Glycine 0 C--O 1.253 1.292 0 N-CA-C 111.237 -0.745 . . . . 55.640000000000001 111.237 -173.932 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . 0.636 ' CD ' ' HE ' ' B' ' 24' ' ' ARG . 96.3 mt-10 . . . . . 0 C--O 1.22 -0.453 0 N-CA-C 114.351 1.241 . . . . 64.120000000000005 114.351 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.221 . . . . . . . . 48.649999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -91.8 -26.98 18.29 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 111.827 0.306 . . . . 52.590000000000003 111.827 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 2' ' ' MET . . . . . 0.768 ' O ' ' HG3' ' B' ' 6' ' ' GLU . 46.5 tpp -72.47 -31.69 65.62 Favored 'General case' 0 C--O 1.192 -1.964 0 O-C-N 123.816 0.697 . . . . 52.189999999999998 111.012 177.446 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -78.28 -39.97 38.33 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 124.097 0.959 . . . . 53.229999999999997 111.944 -178.068 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -55.3 -29.16 57.68 Favored 'General case' 0 C--O 1.189 -2.129 0 C-N-CA 124.039 0.935 . . . . 59.549999999999997 112.124 171.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.4 mt -79.85 -49.55 19.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 124.346 1.059 . . . . 41.149999999999999 111.476 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 0.768 ' HG3' ' O ' ' B' ' 2' ' ' MET . 26.0 mt-10 -47.31 -57.36 5.33 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 124.85 1.26 . . . . 47.140000000000001 111.185 170.17 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.6 -32.47 72.59 Favored 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 116.693 2.109 . . . . 38.049999999999997 116.693 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -78.7 -31.27 46.44 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-N 118.818 0.736 . . . . 34.969999999999999 110.447 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.61 -37.96 89.31 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.503 1.297 . . . . 27.539999999999999 114.503 168.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -66.29 -38.83 88.66 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-O 123.705 1.717 . . . . 40.170000000000002 113.864 171.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -60.56 -44.99 95.54 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.918 -1.492 . . . . 33.240000000000002 113.104 175.965 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.41 -48.96 79.17 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 0 C-N-CA 124.919 1.288 . . . . 30.350000000000001 112.595 172.512 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.51 -42.25 96.01 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.339 0.866 . . . . 32.979999999999997 113.339 172.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -63.58 -42.91 98.27 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 118.423 -1.311 . . . . 35.689999999999998 111.689 175.125 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -63.34 -39.44 94.56 Favored 'General case' 0 C--O 1.178 -2.693 0 CA-C-O 118.712 -0.661 . . . . 36.799999999999997 109.481 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.67 -42.84 97.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 116.031 1.863 . . . . 33.049999999999997 116.031 173.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -62.37 -38.7 90.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.878 -0.601 . . . . 33.079999999999998 111.253 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' HIS . . . . . 0.532 ' O ' ' C ' ' B' ' 19' ' ' ILE . 0.2 OUTLIER -69.52 -51.09 38.91 Favored 'General case' 0 C--O 1.206 -1.205 0 O-C-N 124.39 1.056 . . . . 47.659999999999997 111.341 174.919 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' B' ' 18' ' ' HIS . 37.9 mt -42.17 -50.23 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 C-N-CA 117.143 -1.823 . . . . 39.799999999999997 107.881 171.787 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.82 -34.93 79.53 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 115.151 1.537 . . . . 48.359999999999999 115.151 -169.945 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -113.6 87.34 2.59 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 103.937 -2.616 . . . . 48.829999999999998 103.937 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' TA4 . . . . . 0.51 HD22 HG23 ' B' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.88 38.57 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.193 0.812 . . . . 45.259999999999998 113.193 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ARG . . . . . 0.642 ' NH1' ' HB3' ' B' ' 27' ' ' LYS . 2.7 mmm180 -73.88 -27.77 61.22 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 113.933 1.086 . . . . 62.979999999999997 113.933 -174.456 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 2.2 mt -74.6 -40.82 48.35 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.361 0 CA-C-N 116.627 -0.261 . . . . 46.880000000000003 111.008 174.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -64.67 -38.69 91.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.997 -0.742 . . . . 50.770000000000003 108.997 -178.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' LYS . . . . . 0.642 ' HB3' ' NH1' ' B' ' 24' ' ' ARG . 14.0 ttpt -68.97 -59.05 3.31 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 115.208 -0.905 . . . . 55.5 111.756 176.747 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -36.61 -49.78 0.77 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 122.555 1.169 . . . . 51.18 114.085 169.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 114.892 -1.049 . . . . 50.469999999999999 110.911 171.466 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 36' ' ' HOH . . . . . 0.533 ' O ' ' HA3' ' A' ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HOH . . . . . 0.464 ' O ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 59' ' ' 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 ' 41' ' ' 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 ' 44' ' ' 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 ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.035 . . . . . . . . 42.159999999999997 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ARG . . . . . . . . . . . . . 39.1 mtp180 -67.59 -23.11 65.35 Favored 'General case' 0 C--O 1.201 -1.494 0 C-N-CA 119.3 -0.96 . . . . 52.619999999999997 111.94 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 35.2 tpp -75.32 -43.05 52.89 Favored 'General case' 0 C--O 1.2 -1.524 0 N-CA-C 107.442 -1.318 . . . . 46.990000000000002 107.442 -175.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . . . -70.53 -37.14 74.05 Favored 'General case' 0 C--O 1.202 -1.437 0 N-CA-C 113.236 0.828 . . . . 43.93 113.236 -179.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -51.67 -44.56 63.11 Favored 'General case' 0 N--CA 1.44 -0.953 0 C-N-CA 123.074 0.55 . . . . 46.32 110.16 167.848 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 10.1 mt -69.1 -41.14 81.38 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.569 0 C-N-CA 122.809 0.444 . . . . 37.630000000000003 111.49 -178.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 80.2 mt-10 -66.0 -35.39 80.43 Favored 'General case' 0 N--CA 1.42 -1.957 0 CA-C-N 115.831 -0.622 . . . . 41.920000000000002 110.447 177.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -65.48 -40.34 93.01 Favored 'General case' 0 C--O 1.193 -1.89 0 N-CA-C 114.321 1.23 . . . . 43.109999999999999 114.321 172.567 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -63.97 -39.09 93.35 Favored 'General case' 0 C--O 1.203 -1.374 0 N-CA-C 108.811 -0.811 . . . . 37.590000000000003 108.811 179.009 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.3 mt -59.57 -39.29 83.6 Favored 'General case' 0 C--O 1.186 -2.245 0 O-C-N 120.656 -1.278 . . . . 29.989999999999998 111.86 176.558 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -70.02 -40.0 75.48 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 114.805 1.409 . . . . 43.289999999999999 114.805 178.007 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -61.7 -34.49 75.85 Favored 'General case' 0 C--O 1.203 -1.391 0 N-CA-C 109.597 -0.52 . . . . 38.640000000000001 109.597 172.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.5 mt -71.43 -40.27 72.31 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.542 0 CA-C-O 118.168 -0.92 . . . . 30.539999999999999 110.228 178.673 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 20.3 mt -67.36 -40.58 85.81 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 116.2 1.926 . . . . 28.93 116.2 174.772 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.7 m -58.46 -51.99 67.52 Favored 'General case' 0 C--O 1.19 -2.055 0 C-N-CA 122.52 0.328 . . . . 32.32 111.373 171.172 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 tppt? -51.21 -42.89 61.25 Favored 'General case' 0 C--O 1.196 -1.748 0 N-CA-C 115.197 1.554 . . . . 31.359999999999999 115.197 174.5 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.1 mt -67.88 -35.34 78.34 Favored 'General case' 0 CA--C 1.483 -1.619 0 CA-C-N 119.351 0.978 . . . . 33.640000000000001 110.526 178.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -57.58 -52.95 63.32 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.608 -0.437 . . . . 43.68 110.933 172.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -58.11 -42.1 85.01 Favored 'General case' 0 C--O 1.192 -1.952 0 N-CA-C 112.737 0.643 . . . . 47.159999999999997 112.737 176.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.526 HG23 ' CD2' ' A' ' 22' ' ' TA4 . 63.0 mt -59.87 -51.24 75.13 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.056 0 O-C-N 120.694 -1.254 . . . . 39.210000000000001 110.543 176.55 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.21 -59.6 3.05 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 106.066 -1.827 . . . . 49.75 106.066 -175.762 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -85.65 -16.92 37.6 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 114.524 -1.217 . . . . 47.390000000000001 112.419 -167.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' TA4 . . . . . 0.526 ' CD2' HG23 ' A' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.79 -50.01 72.7 Favored 'General case' 0 CA--C 1.541 0.596 0 N-CA-C 112.338 0.495 . . . . 44.090000000000003 112.338 -172.486 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.464 ' NH2' ' O ' ' A' ' 48' ' ' HOH . 4.8 mmm180 -66.42 -34.2 77.42 Favored 'General case' 0 C--O 1.235 0.341 0 N-CA-C 115.659 1.726 . . . . 64.719999999999999 115.659 178.871 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' B' ' 24' ' ' ARG . 0.1 OUTLIER -77.0 -37.59 26.76 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.829 0 C-N-CA 117.79 -1.564 . . . . 44.770000000000003 110.974 175.929 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -56.45 -39.26 72.84 Favored 'General case' 0 N--CA 1.485 1.287 0 O-C-N 121.378 -0.827 . . . . 49.090000000000003 111.42 171.645 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -66.76 -45.94 76.94 Favored 'General case' 0 C--O 1.213 -0.824 0 C-N-CA 123.912 0.885 . . . . 49.649999999999999 110.753 177.367 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 35.8 tp -53.76 -50.01 66.95 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 115.317 -0.856 . . . . 45.0 110.466 177.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.592 HD13 ' NH2' ' B' ' 24' ' ' ARG . 32.4 mt -88.48 -2.35 58.55 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 116.429 2.011 . . . . 49.719999999999999 116.429 -173.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.533 ' HA3' ' O ' ' A' ' 36' ' ' HOH . . . 59.86 79.32 0.11 Allowed Glycine 0 C--O 1.253 1.292 0 N-CA-C 111.237 -0.745 . . . . 55.640000000000001 111.237 -173.932 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.636 ' CD ' ' HE ' ' B' ' 24' ' ' ARG . 96.3 mt-10 . . . . . 0 C--O 1.22 -0.453 0 N-CA-C 114.351 1.241 . . . . 64.120000000000005 114.351 -178.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.221 . . . . . . . . 48.649999999999999 . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -91.8 -26.98 18.29 Favored 'General case' 0 CA--C 1.49 -1.349 0 N-CA-C 111.827 0.306 . . . . 52.590000000000003 111.827 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' MET . . . . . 0.768 ' O ' ' HG3' ' B' ' 6' ' ' GLU . 46.5 tpp -72.47 -31.69 65.62 Favored 'General case' 0 C--O 1.192 -1.964 0 O-C-N 123.816 0.697 . . . . 52.189999999999998 111.012 177.446 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -78.28 -39.97 38.33 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 124.097 0.959 . . . . 53.229999999999997 111.944 -178.068 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -55.3 -29.16 57.68 Favored 'General case' 0 C--O 1.189 -2.129 0 C-N-CA 124.039 0.935 . . . . 59.549999999999997 112.124 171.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' ILE . . . . . . . . . . . . . 11.4 mt -79.85 -49.55 19.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 C-N-CA 124.346 1.059 . . . . 41.149999999999999 111.476 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.768 ' HG3' ' O ' ' B' ' 2' ' ' MET . 26.0 mt-10 -47.31 -57.36 5.33 Favored 'General case' 0 CA--C 1.496 -1.112 0 C-N-CA 124.85 1.26 . . . . 47.140000000000001 111.185 170.17 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -61.6 -32.47 72.59 Favored 'General case' 0 CA--C 1.494 -1.211 0 N-CA-C 116.693 2.109 . . . . 38.049999999999997 116.693 178.937 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 29.5 mttm -78.7 -31.27 46.44 Favored 'General case' 0 CA--C 1.499 -0.988 0 CA-C-N 118.818 0.736 . . . . 34.969999999999999 110.447 178.015 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 29.7 mt -63.61 -37.96 89.31 Favored 'General case' 0 N--CA 1.484 1.261 0 N-CA-C 114.503 1.297 . . . . 27.539999999999999 114.503 168.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 28.2 tp10 -66.29 -38.83 88.66 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-O 123.705 1.717 . . . . 40.170000000000002 113.864 171.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -60.56 -44.99 95.54 Favored 'General case' 0 N--CA 1.431 -1.394 0 CA-C-N 113.918 -1.492 . . . . 33.240000000000002 113.104 175.965 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 53.9 mt -56.41 -48.96 79.17 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.395 0 C-N-CA 124.919 1.288 . . . . 30.350000000000001 112.595 172.512 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 16.8 tp -60.51 -42.25 96.01 Favored 'General case' 0 N--CA 1.488 1.472 0 N-CA-C 113.339 0.866 . . . . 32.979999999999997 113.339 172.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' SER . . . . . . . . . . . . . 8.2 t -63.58 -42.91 98.27 Favored 'General case' 0 N--CA 1.431 -1.392 0 C-N-CA 118.423 -1.311 . . . . 35.689999999999998 111.689 175.125 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -63.34 -39.44 94.56 Favored 'General case' 0 C--O 1.178 -2.693 0 CA-C-O 118.712 -0.661 . . . . 36.799999999999997 109.481 178.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -60.67 -42.84 97.85 Favored 'General case' 0 CA--C 1.499 -0.989 0 N-CA-C 116.031 1.863 . . . . 33.049999999999997 116.031 173.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -62.37 -38.7 90.59 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.878 -0.601 . . . . 33.079999999999998 111.253 -177.311 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.532 ' O ' ' C ' ' B' ' 19' ' ' ILE . 2.5 t-160 -69.52 -51.09 38.91 Favored 'General case' 0 C--O 1.206 -1.205 0 O-C-N 124.39 1.056 . . . . 47.659999999999997 111.341 174.919 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ILE . . . . . 0.532 ' C ' ' O ' ' B' ' 18' ' ' HIS . 37.9 mt -42.17 -50.23 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.136 0 C-N-CA 117.143 -1.823 . . . . 39.799999999999997 107.881 171.787 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.82 -34.93 79.53 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 115.151 1.537 . . . . 48.359999999999999 115.151 -169.945 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' ASN . . . . . . . . . . . . . 63.5 m-80 -113.6 87.34 2.59 Favored 'General case' 0 C--O 1.248 1.012 0 N-CA-C 103.937 -2.616 . . . . 48.829999999999998 103.937 -178.025 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' TA4 . . . . . 0.51 HD22 HG23 ' B' ' 19' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -48.59 -45.88 38.57 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 113.193 0.812 . . . . 45.259999999999998 113.193 -178.628 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ARG . . . . . 0.642 ' NH1' ' HB3' ' B' ' 27' ' ' LYS . 2.7 mmm180 -73.88 -27.77 61.22 Favored 'General case' 0 CA--C 1.508 -0.638 0 N-CA-C 113.933 1.086 . . . . 62.979999999999997 113.933 -174.456 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ILE . . . . . . . . . . . . . 2.2 mt -74.6 -40.82 48.35 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.361 0 CA-C-N 116.627 -0.261 . . . . 46.880000000000003 111.008 174.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 12.4 mtmt -64.67 -38.69 91.84 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 108.997 -0.742 . . . . 50.770000000000003 108.997 -178.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.642 ' HB3' ' NH1' ' B' ' 24' ' ' ARG . 14.0 ttpt -68.97 -59.05 3.31 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 115.208 -0.905 . . . . 55.5 111.756 176.747 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 16.2 tp -36.61 -49.78 0.77 Allowed 'General case' 0 N--CA 1.485 1.302 0 CA-C-O 122.555 1.169 . . . . 51.18 114.085 169.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 114.892 -1.049 . . . . 50.469999999999999 110.911 171.466 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' HOH . . . . . 0.533 ' O ' ' HA3' ' A' ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HOH . . . . . 0.464 ' O ' ' NH2' ' A' ' 24' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' 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 ' 41' ' ' 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 ' 44' ' ' 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 ' 49' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_