data_3hff_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 3hff _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' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.103 0 N-CA-C 109.739 -0.467 . . . . 25.199999999999999 109.739 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -91.67 136.7 32.94 Favored 'General case' 0 C--O 1.204 -1.294 0 N-CA-C 109.072 -0.714 . . . . 25.039999999999999 109.072 174.453 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -134.07 148.34 51.02 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.99 0.916 . . . . 29.780000000000001 111.4 -172.498 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.98 162.28 39.66 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.407 0.622 . . . . 23.800000000000001 110.705 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.74 146.41 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 115.537 -0.756 . . . . 26.899999999999999 109.015 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.74 129.86 53.81 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 107.087 -1.449 . . . . 26.34 107.087 167.56 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -103.28 108.73 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 108.612 -0.884 . . . . 29.34 108.612 170.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 71.7 mt -83.82 121.21 27.02 Favored 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 108.893 -0.781 . . . . 31.760000000000002 108.893 -176.593 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -125.25 146.38 49.56 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.624 -0.88 . . . . 39.299999999999997 108.624 169.375 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.49 -170.09 13.15 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.594 -1.003 . . . . 35.619999999999997 110.594 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -84.7 -41.67 16.03 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.447 -0.946 . . . . 36.939999999999998 108.447 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.91 -146.6 20.05 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.703 -1.359 . . . . 37.710000000000001 109.703 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.83 -7.51 16.52 Favored 'Trans proline' 0 C--O 1.243 0.76 0 C-N-CA 121.633 1.555 . . . . 38.060000000000002 115.631 -169.944 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.2 t -67.74 119.54 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.203 0.446 . . . . 36.920000000000002 112.203 -177.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.59 162.02 40.73 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.168 -0.469 . . . . 41.350000000000001 109.941 174.272 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.46 167.66 30.32 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 123.64 0.587 . . . . 33.969999999999999 112.663 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.8 mm -116.4 131.83 67.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 108.265 -1.013 . . . . 36.450000000000003 108.265 -176.597 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -123.51 127.86 74.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.303 -0.559 . . . . 29.23 110.199 179.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -99.87 151.47 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.535 0.568 . . . . 26.690000000000001 112.535 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -138.37 133.57 33.08 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 106.656 -1.609 . . . . 27.739999999999998 106.656 176.955 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -138.4 143.45 39.78 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.179 -1.045 . . . . 36.170000000000002 108.179 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -142.86 117.4 9.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 106.228 -1.767 . . . . 27.780000000000001 106.228 179.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -78.12 -47.3 18.54 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 117.659 0.209 . . . . 36.520000000000003 111.312 -173.635 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -105.38 149.27 26.25 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.101 -1.074 . . . . 35.350000000000001 108.101 175.787 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -11.56 44.97 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 113.973 1.101 . . . . 36.350000000000001 113.973 178.106 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -120.27 -4.92 9.93 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.377 -0.827 . . . . 37.630000000000003 113.182 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.96 177.37 50.23 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.671 -0.972 . . . . 32.829999999999998 110.671 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.19 154.79 60.57 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 C-N-CA 121.831 1.687 . . . . 30.530000000000001 112.149 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.7 t -102.54 118.69 49.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 105.521 -2.029 . . . . 28.449999999999999 105.521 170.99 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -78.54 141.75 37.9 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.747 -0.834 . . . . 32.600000000000001 108.747 172.961 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.15 125.25 51.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 O-C-N 123.842 0.714 . . . . 24.469999999999999 109.848 -177.016 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 15.9 p90 -148.61 165.56 30.92 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 119.013 -1.075 . . . . 23.539999999999999 112.338 177.2 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.08 -171.89 33.94 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.407 -1.477 . . . . 24.449999999999999 109.407 177.0 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -134.56 152.61 51.9 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.56 -0.533 . . . . 29.789999999999999 109.56 167.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.1 136.75 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 105.525 -2.028 . . . . 28.23 105.525 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -123.33 164.54 18.62 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 124.098 0.874 . . . . 32.57 109.192 -171.13 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.85 24.28 76.84 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 123.214 0.321 . . . . 29.329999999999998 113.873 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -92.64 164.18 13.5 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.943 0.497 . . . . 28.780000000000001 111.699 175.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.2 p -83.97 149.91 25.99 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 107.895 -1.15 . . . . 27.239999999999998 107.895 170.555 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -60.92 135.12 57.69 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 109.362 -0.607 . . . . 33.799999999999997 109.362 -176.28 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.98 -165.73 14.79 Favored Glycine 0 C--N 1.334 0.435 0 O-C-N 124.352 1.032 . . . . 24.809999999999999 113.326 174.864 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.6 mt -82.61 142.46 31.73 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 119.128 -0.463 . . . . 24.27 111.13 -175.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -136.19 125.14 24.2 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 123.691 0.619 . . . . 28.219999999999999 111.255 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.42 131.54 25.82 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 123.481 0.488 . . . . 23.32 113.191 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -126.18 99.29 5.82 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.007 -1.109 . . . . 25.050000000000001 108.007 -174.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 67.2 m170 -118.66 162.91 17.62 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-O 121.29 0.567 . . . . 28.75 112.475 -170.574 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.69 109.29 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 106.473 -1.677 . . . . 32.960000000000001 106.473 166.051 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' HIS . . . . . 0.431 ' CD2' ' NH2' ' A' ' 143' ' ' ARG . 49.4 t60 -83.16 -170.4 3.02 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.032 -0.729 . . . . 39.57 109.032 -179.832 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 50' ' ' GLU . 4.2 tp10 -111.19 -53.18 2.73 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.932 1.086 . . . . 44.490000000000002 113.932 177.692 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 113.138 0.792 . . . . 43.439999999999998 113.138 172.2 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' N ' ' A' ' 82' ' ' GLY . 1.5 p . . . . . 0 C--O 1.239 0.545 0 N-CA-C 112.44 0.533 . . . . 39.030000000000001 112.44 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLY . . . . . 0.402 ' N ' ' CG2' ' A' ' 81' ' ' VAL . . . -126.02 138.04 10.54 Favored Glycine 0 C--O 1.247 0.932 0 N-CA-C 106.646 -2.581 . . . . 38.170000000000002 106.646 163.67 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.08 124.97 44.48 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 110.016 -0.364 . . . . 37.159999999999997 110.016 -175.216 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.55 32.25 3.43 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 108.759 -0.83 . . . . 33.689999999999998 108.759 164.081 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.36 -126.1 15.37 Favored Glycine 0 C--O 1.244 0.746 0 N-CA-C 115.153 0.821 . . . . 30.32 115.153 -174.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -133.32 157.43 45.51 Favored 'General case' 0 C--O 1.254 1.324 0 N-CA-C 107.186 -1.413 . . . . 27.66 107.186 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -107.85 154.85 8.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 124.275 0.984 . . . . 27.989999999999998 109.167 160.073 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.3 m -114.72 115.59 27.31 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 123.616 0.767 . . . . 28.77 111.306 -173.916 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.23 144.67 26.71 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 109.463 -0.569 . . . . 29.670000000000002 109.463 177.086 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -89.96 -171.31 3.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.847 -1.07 . . . . 32.93 109.916 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -58.16 -36.96 73.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 115.76 1.763 . . . . 34.259999999999998 115.76 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.08 23.95 13.21 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.057 0.844 . . . . 33.380000000000003 112.934 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.86 12.17 56.98 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 116.664 1.426 . . . . 30.120000000000001 116.664 165.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -108.32 129.09 63.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-O 121.134 0.492 . . . . 29.780000000000001 112.034 -175.002 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.92 115.42 24.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.737 -1.209 . . . . 28.850000000000001 107.737 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -89.69 129.36 36.12 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 107.319 -1.363 . . . . 32.670000000000002 107.319 174.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 14.7 t -111.1 118.37 57.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 O-C-N 124.43 1.081 . . . . 30.530000000000001 109.464 -174.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 t -139.18 116.25 11.0 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 105.871 -1.9 . . . . 32.270000000000003 105.871 169.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 62.5 mt -141.85 150.23 19.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.359 -1.349 . . . . 36.259999999999998 107.359 -167.679 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.45 117.32 17.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.533 -1.284 . . . . 47.32 107.533 171.224 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -128.48 116.18 19.31 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 123.58 0.752 . . . . 44.030000000000001 109.292 -167.972 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -93.2 5.15 52.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.565 0.579 . . . . 35.350000000000001 112.565 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 33.9 t -89.4 -55.78 5.91 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.917 0 N-CA-C 108.737 -0.838 . . . . 31.879999999999999 108.737 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' ILE . . . . . . . . . . . . . 34.1 pt -67.31 153.34 8.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 N-CA-C 112.81 0.67 . . . . 28.640000000000001 112.81 176.04 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.8 t -145.25 155.86 43.49 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 106.309 -1.738 . . . . 24.260000000000002 106.309 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.4 mt -97.71 -12.8 21.94 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.546 0.529 . . . . 22.399999999999999 110.992 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.91 -179.08 4.26 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.748 0.655 . . . . 25.399999999999999 111.404 175.71 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.94 -178.26 54.09 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.412 -0.423 . . . . 23.050000000000001 112.729 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.34 -26.47 68.49 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.833 0.316 . . . . 27.239999999999998 111.623 -170.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HIS . . . . . 0.663 ' O ' ' O ' ' A' ' 224' ' ' HOH . 91.0 m-70 -118.07 50.16 1.18 Allowed 'General case' 0 CA--C 1.497 -1.061 0 C-N-CA 120.52 -0.472 . . . . 25.460000000000001 110.104 -179.584 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.41 142.08 50.3 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.493 -0.776 . . . . 23.329999999999998 110.74 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 42.6 pt -85.89 -5.03 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 115.265 1.58 . . . . 28.899999999999999 115.265 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.0 mm -64.86 129.57 29.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 O-C-N 121.53 -0.732 . . . . 25.079999999999998 109.691 176.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.48 -1.4 85.85 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-O 119.251 -0.749 . . . . 26.93 112.905 -176.062 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -90.19 168.5 11.89 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 117.668 0.734 . . . . 40.340000000000003 110.628 167.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.5 m -106.4 124.49 49.68 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 112.756 0.65 . . . . 29.41 112.756 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' LEU . . . . . 0.43 ' N ' ' O ' ' A' ' 147' ' ' GLY . 17.5 tp -83.86 137.81 33.5 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 106.17 -1.789 . . . . 27.760000000000002 106.17 177.277 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.24 130.88 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 O-C-N 124.379 1.049 . . . . 27.640000000000001 109.679 -172.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.36 123.99 62.97 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 N-CA-C 107.264 -1.384 . . . . 26.989999999999998 107.264 168.305 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -97.56 157.0 16.26 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.497 -0.774 . . . . 24.43 110.932 -171.177 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -55.85 -40.27 72.63 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 116.359 1.985 . . . . 34.079999999999998 116.359 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . . . -118.34 173.83 6.59 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.961 0.788 . . . . 26.649999999999999 109.499 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.23 149.67 46.03 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 122.196 -0.315 . . . . 25.600000000000001 110.629 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.69 115.9 19.57 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 105.676 -1.972 . . . . 28.420000000000002 105.676 158.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -80.56 -5.51 56.88 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 119.599 -0.841 . . . . 29.34 111.419 -176.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.3 mt 59.37 33.63 22.48 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 124.852 1.261 . . . . 28.879999999999999 112.392 173.042 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 79.11 13.49 82.89 Favored Glycine 0 C--O 1.22 -0.732 0 CA-C-N 115.617 -0.72 . . . . 24.34 112.797 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.55 39.77 3.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.214 0.531 . . . . 26.469999999999999 110.126 -174.908 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -78.15 -7.15 87.76 Favored Glycine 0 C--O 1.214 -1.096 0 CA-C-N 115.85 -0.614 . . . . 22.18 113.98 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.93 -1.98 75.29 Favored Glycine 0 CA--C 1.503 -0.658 0 N-CA-C 110.496 -1.042 . . . . 23.07 110.496 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 111.701 0.26 . . . . 29.120000000000001 111.701 -176.05 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 109.79 -0.448 . . . . 37.75 109.79 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -112.94 24.14 12.69 Favored 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 114.172 1.175 . . . . 35.090000000000003 114.172 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 73.94 -169.43 53.7 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.811 -0.556 . . . . 33.479999999999997 112.347 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.24 156.74 14.82 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.767 -0.217 . . . . 32.43 110.882 -176.928 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' ARG . . . . . 0.431 ' NH2' ' CD2' ' A' ' 48' ' ' HIS . 7.3 mtt-85 -82.73 116.16 21.97 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 106.016 -1.846 . . . . 36.659999999999997 106.016 169.21 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 mt -90.26 -40.2 12.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.947 -0.301 . . . . 30.84 111.705 -174.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -151.99 143.79 23.67 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 120.976 0.417 . . . . 26.73 111.356 175.636 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -141.38 155.81 45.87 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 121.615 0.721 . . . . 27.75 111.649 -169.233 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 117' ' ' LEU . . . -162.0 139.64 6.1 Favored Glycine 0 C--O 1.222 -0.646 0 CA-C-N 115.178 -0.919 . . . . 28.359999999999999 111.817 -173.967 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.32 138.54 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 N-CA-C 108.767 -0.827 . . . . 29.399999999999999 108.767 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 72.5 mt -89.15 103.16 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 106.848 -1.538 . . . . 27.199999999999999 106.848 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -108.18 147.12 16.48 Favored Glycine 0 N--CA 1.473 1.101 0 N-CA-C 110.908 -0.877 . . . . 27.379999999999999 110.908 -175.831 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 6.0 mm -64.66 136.25 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-O 120.883 0.373 . . . . 30.32 110.174 175.124 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.708 0 C-N-CA 124.455 1.102 . . . . 35.119999999999997 108.703 177.3 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . 0.663 ' O ' ' O ' ' A' ' 110' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.103 0 N-CA-C 109.739 -0.467 . . . . 25.2 109.739 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -91.67 136.7 32.94 Favored 'General case' 0 C--O 1.204 -1.294 0 N-CA-C 109.072 -0.714 . . . . 25.04 109.072 174.453 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -134.07 148.34 51.02 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.99 0.916 . . . . 29.78 111.4 -172.498 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.98 162.28 39.66 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.407 0.622 . . . . 23.8 110.705 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.74 146.41 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 115.537 -0.756 . . . . 26.9 109.015 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.74 129.86 53.81 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 107.087 -1.449 . . . . 26.34 107.087 167.56 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -103.28 108.73 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 108.612 -0.884 . . . . 29.34 108.612 170.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' CD1' HD13 ' A' ' 35' ' ' ILE . 71.7 mt -83.82 121.21 27.02 Favored 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 108.893 -0.781 . . . . 31.76 108.893 -176.593 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -125.25 146.38 49.56 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.624 -0.88 . . . . 39.3 108.624 169.375 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.49 -170.09 13.15 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.594 -1.003 . . . . 35.62 110.594 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -84.7 -41.67 16.03 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.447 -0.946 . . . . 36.94 108.447 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.91 -146.6 20.05 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.703 -1.359 . . . . 37.71 109.703 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.83 -7.51 16.52 Favored 'Trans proline' 0 C--O 1.243 0.76 0 C-N-CA 121.633 1.555 . . . . 38.06 115.631 -169.944 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 145' ' ' ALA . 91.2 t -67.74 119.54 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.203 0.446 . . . . 36.92 112.203 -177.951 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.59 162.02 40.73 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.168 -0.469 . . . . 41.35 109.941 174.272 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.46 167.66 30.32 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 123.64 0.587 . . . . 33.97 112.663 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.8 mm -116.4 131.83 67.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 108.265 -1.013 . . . . 36.45 108.265 -176.597 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -123.51 127.86 74.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.303 -0.559 . . . . 29.23 110.199 179.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -99.87 151.47 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.535 0.568 . . . . 26.69 112.535 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -138.37 133.57 33.08 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 106.656 -1.609 . . . . 27.74 106.656 176.955 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -138.4 143.45 39.78 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.179 -1.045 . . . . 36.17 108.179 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' GLN . . . . . 0.484 ' HB2' HG22 ' A' ' 29' ' ' VAL . 48.7 tt0 -142.86 117.4 9.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 106.228 -1.767 . . . . 27.78 106.228 179.405 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -78.12 -47.3 18.54 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 117.659 0.209 . . . . 36.52 111.312 -173.635 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -105.38 149.27 26.25 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.101 -1.074 . . . . 35.35 108.101 175.787 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -11.56 44.97 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 113.973 1.101 . . . . 36.35 113.973 178.106 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -120.27 -4.92 9.93 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.377 -0.827 . . . . 37.63 113.182 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.96 177.37 50.23 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.671 -0.972 . . . . 32.83 110.671 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.19 154.79 60.57 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 C-N-CA 121.831 1.687 . . . . 30.53 112.149 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 22' ' ' GLN . 40.7 t -102.54 118.69 49.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 105.521 -2.029 . . . . 28.45 105.521 170.99 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -78.54 141.75 37.9 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.747 -0.834 . . . . 32.6 108.747 172.961 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.15 125.25 51.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 O-C-N 123.842 0.714 . . . . 24.47 109.848 -177.016 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' TRP . . . . . 0.471 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 15.9 p90 -148.61 165.56 30.92 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 119.013 -1.075 . . . . 23.54 112.338 177.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.08 -171.89 33.94 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.407 -1.477 . . . . 24.45 109.407 177.0 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -134.56 152.61 51.9 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.56 -0.533 . . . . 29.79 109.56 167.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ILE . . . . . 0.531 HD13 ' CD1' ' A' ' 8' ' ' LEU . 3.4 mt -128.1 136.75 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 105.525 -2.028 . . . . 28.23 105.525 178.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -123.33 164.54 18.62 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 124.098 0.874 . . . . 32.57 109.192 -171.13 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.85 24.28 76.84 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 123.214 0.321 . . . . 29.33 113.873 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -92.64 164.18 13.5 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.943 0.497 . . . . 28.78 111.699 175.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.2 p -83.97 149.91 25.99 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 107.895 -1.15 . . . . 27.24 107.895 170.555 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -60.92 135.12 57.69 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 109.362 -0.607 . . . . 33.8 109.362 -176.28 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.98 -165.73 14.79 Favored Glycine 0 C--N 1.334 0.435 0 O-C-N 124.352 1.032 . . . . 24.81 113.326 174.864 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.6 mt -82.61 142.46 31.73 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 119.128 -0.463 . . . . 24.27 111.13 -175.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -136.19 125.14 24.2 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 123.691 0.619 . . . . 28.22 111.255 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.42 131.54 25.82 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 123.481 0.488 . . . . 23.32 113.191 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -126.18 99.29 5.82 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.007 -1.109 . . . . 25.05 108.007 -174.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 67.2 m170 -118.66 162.91 17.62 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-O 121.29 0.567 . . . . 28.75 112.475 -170.574 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.69 109.29 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 106.473 -1.677 . . . . 32.96 106.473 166.051 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' HIS . . . . . 0.423 ' CG ' ' H ' ' A' ' 49' ' ' GLU . 14.3 t-80 -83.16 -170.4 3.02 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.032 -0.729 . . . . 39.57 109.032 -179.832 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 50' ' ' GLU . 4.2 tp10 -111.19 -53.18 2.73 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.932 1.086 . . . . 44.49 113.932 177.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 113.138 0.792 . . . . 43.44 113.138 172.2 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' N ' ' A' ' 82' ' ' GLY . 1.5 p . . . . . 0 C--O 1.239 0.545 0 N-CA-C 112.44 0.533 . . . . 39.03 112.44 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLY . . . . . 0.402 ' N ' ' CG2' ' A' ' 81' ' ' VAL . . . -126.02 138.04 10.54 Favored Glycine 0 C--O 1.247 0.932 0 N-CA-C 106.646 -2.581 . . . . 38.17 106.646 163.67 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.08 124.97 44.48 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 110.016 -0.364 . . . . 37.16 110.016 -175.216 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.55 32.25 3.43 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 108.759 -0.83 . . . . 33.69 108.759 164.081 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.36 -126.1 15.37 Favored Glycine 0 C--O 1.244 0.746 0 N-CA-C 115.153 0.821 . . . . 30.32 115.153 -174.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -133.32 157.43 45.51 Favored 'General case' 0 C--O 1.254 1.324 0 N-CA-C 107.186 -1.413 . . . . 27.66 107.186 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -107.85 154.85 8.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 124.275 0.984 . . . . 27.99 109.167 160.073 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.3 m -114.72 115.59 27.31 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 123.616 0.767 . . . . 28.77 111.306 -173.916 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.23 144.67 26.71 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 109.463 -0.569 . . . . 29.67 109.463 177.086 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -89.96 -171.31 3.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.847 -1.07 . . . . 32.93 109.916 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -58.16 -36.96 73.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 115.76 1.763 . . . . 34.26 115.76 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.08 23.95 13.21 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.057 0.844 . . . . 33.38 112.934 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.86 12.17 56.98 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 116.664 1.426 . . . . 30.12 116.664 165.046 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -108.32 129.09 63.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-O 121.134 0.492 . . . . 29.78 112.034 -175.002 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.92 115.42 24.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.737 -1.209 . . . . 28.85 107.737 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -89.69 129.36 36.12 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 107.319 -1.363 . . . . 32.67 107.319 174.33 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 14.7 t -111.1 118.37 57.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 O-C-N 124.43 1.081 . . . . 30.53 109.464 -174.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 t -139.18 116.25 11.0 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 105.871 -1.9 . . . . 32.27 105.871 169.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 62.5 mt -141.85 150.23 19.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.359 -1.349 . . . . 36.26 107.359 -167.679 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.45 117.32 17.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.533 -1.284 . . . . 47.32 107.533 171.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ASP . . . . . 0.418 ' OD2' HG12 ' A' ' 104' ' ' ILE . 18.1 t70 -128.48 116.18 19.31 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 123.58 0.752 . . . . 44.03 109.292 -167.972 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -93.2 5.15 52.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.565 0.579 . . . . 35.35 112.565 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 33.9 t -89.4 -55.78 5.91 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.917 0 N-CA-C 108.737 -0.838 . . . . 31.88 108.737 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' ILE . . . . . 0.418 HG12 ' OD2' ' A' ' 101' ' ' ASP . 34.1 pt -67.31 153.34 8.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 N-CA-C 112.81 0.67 . . . . 28.64 112.81 176.04 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.8 t -145.25 155.86 43.49 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 106.309 -1.738 . . . . 24.26 106.309 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.4 mt -97.71 -12.8 21.94 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.546 0.529 . . . . 22.4 110.992 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.91 -179.08 4.26 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.748 0.655 . . . . 25.4 111.404 175.71 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.94 -178.26 54.09 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.412 -0.423 . . . . 23.05 112.729 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.34 -26.47 68.49 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.833 0.316 . . . . 27.24 111.623 -170.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HIS . . . . . 0.663 ' O ' ' O ' ' A' ' 224' ' ' HOH . 91.0 m-70 -118.07 50.16 1.18 Allowed 'General case' 0 CA--C 1.497 -1.061 0 C-N-CA 120.52 -0.472 . . . . 25.46 110.104 -179.584 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.41 142.08 50.3 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.493 -0.776 . . . . 23.33 110.74 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 42.6 pt -85.89 -5.03 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 115.265 1.58 . . . . 28.9 115.265 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.0 mm -64.86 129.57 29.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 O-C-N 121.53 -0.732 . . . . 25.08 109.691 176.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.48 -1.4 85.85 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-O 119.251 -0.749 . . . . 26.93 112.905 -176.062 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -90.19 168.5 11.89 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 117.668 0.734 . . . . 40.34 110.628 167.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.5 m -106.4 124.49 49.68 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 112.756 0.65 . . . . 29.41 112.756 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 117' ' ' LEU . . . . . 0.429 HD23 HD21 ' A' ' 8' ' ' LEU . 17.5 tp -83.86 137.81 33.5 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 106.17 -1.789 . . . . 27.76 106.17 177.277 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 118' ' ' VAL . . . . . 0.71 HG13 ' SG ' ' A' ' 146' ' ' CYS . 21.8 t -136.24 130.88 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 O-C-N 124.379 1.049 . . . . 27.64 109.679 -172.791 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.36 123.99 62.97 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 N-CA-C 107.264 -1.384 . . . . 26.99 107.264 168.305 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -97.56 157.0 16.26 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.497 -0.774 . . . . 24.43 110.932 -171.177 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -55.85 -40.27 72.63 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 116.359 1.985 . . . . 34.08 116.359 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . . . -118.34 173.83 6.59 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.961 0.788 . . . . 26.65 109.499 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.23 149.67 46.03 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 122.196 -0.315 . . . . 25.6 110.629 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.69 115.9 19.57 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 105.676 -1.972 . . . . 28.42 105.676 158.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -80.56 -5.51 56.88 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 119.599 -0.841 . . . . 29.34 111.419 -176.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.3 mt 59.37 33.63 22.48 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 124.852 1.261 . . . . 28.88 112.392 173.042 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 79.11 13.49 82.89 Favored Glycine 0 C--O 1.22 -0.732 0 CA-C-N 115.617 -0.72 . . . . 24.34 112.797 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.55 39.77 3.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.214 0.531 . . . . 26.47 110.126 -174.908 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -78.15 -7.15 87.76 Favored Glycine 0 C--O 1.214 -1.096 0 CA-C-N 115.85 -0.614 . . . . 22.18 113.98 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.93 -1.98 75.29 Favored Glycine 0 CA--C 1.503 -0.658 0 N-CA-C 110.496 -1.042 . . . . 23.07 110.496 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 111.701 0.26 . . . . 29.12 111.701 -176.05 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 109.79 -0.448 . . . . 37.75 109.79 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -112.94 24.14 12.69 Favored 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 114.172 1.175 . . . . 35.09 114.172 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 73.94 -169.43 53.7 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.811 -0.556 . . . . 33.48 112.347 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.24 156.74 14.82 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.767 -0.217 . . . . 32.43 110.882 -176.928 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 7.3 mtt-85 -82.73 116.16 21.97 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 106.016 -1.846 . . . . 36.66 106.016 169.21 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 mt -90.26 -40.2 12.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.947 -0.301 . . . . 30.84 111.705 -174.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 145' ' ' ALA . . . . . 0.444 ' CB ' HG12 ' A' ' 14' ' ' VAL . . . -151.99 143.79 23.67 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 120.976 0.417 . . . . 26.73 111.356 175.636 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 146' ' ' CYS . . . . . 0.71 ' SG ' HG13 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -141.38 155.81 45.87 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 121.615 0.721 . . . . 28.56 111.649 -169.233 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.0 139.64 6.1 Favored Glycine 0 C--O 1.222 -0.646 0 CA-C-N 115.178 -0.919 . . . . 28.36 111.817 -173.967 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.32 138.54 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 N-CA-C 108.767 -0.827 . . . . 29.4 108.767 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 72.5 mt -89.15 103.16 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 106.848 -1.538 . . . . 27.2 106.848 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -108.18 147.12 16.48 Favored Glycine 0 N--CA 1.473 1.101 0 N-CA-C 110.908 -0.877 . . . . 27.38 110.908 -175.831 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 6.0 mm -64.66 136.25 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-O 120.883 0.373 . . . . 30.32 110.174 175.124 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.708 0 C-N-CA 124.455 1.102 . . . . 35.12 108.703 177.3 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . 0.663 ' O ' ' O ' ' A' ' 110' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.521 3.103 0 N-CA-C 109.739 -0.467 . . . . 25.199999999999999 109.739 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 m -91.67 136.7 32.94 Favored 'General case' 0 C--O 1.204 -1.294 0 N-CA-C 109.072 -0.714 . . . . 25.039999999999999 109.072 174.453 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -134.07 148.34 51.02 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 123.99 0.916 . . . . 29.780000000000001 111.4 -172.498 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -147.98 162.28 39.66 Favored 'General case' 0 CA--C 1.514 -0.437 0 CA-C-O 121.407 0.622 . . . . 23.800000000000001 110.705 174.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 t -133.74 146.41 31.84 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 CA-C-N 115.537 -0.756 . . . . 26.899999999999999 109.015 176.472 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -120.74 129.86 53.81 Favored 'General case' 0 C--O 1.222 -0.384 0 N-CA-C 107.087 -1.449 . . . . 26.34 107.087 167.56 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.8 t -103.28 108.73 25.06 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.011 0 N-CA-C 108.612 -0.884 . . . . 29.34 108.612 170.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.531 ' CD1' HD13 ' A' ' 35' ' ' ILE . 71.7 mt -83.82 121.21 27.02 Favored 'General case' 0 CA--C 1.504 -0.816 0 N-CA-C 108.893 -0.781 . . . . 31.760000000000002 108.893 -176.593 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -125.25 146.38 49.56 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.624 -0.88 . . . . 39.299999999999997 108.624 169.375 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -124.49 -170.09 13.15 Favored Glycine 0 N--CA 1.444 -0.773 0 N-CA-C 110.594 -1.003 . . . . 35.619999999999997 110.594 -177.613 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -84.7 -41.67 16.03 Favored 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 108.447 -0.946 . . . . 36.939999999999998 108.447 177.31 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -99.91 -146.6 20.05 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 109.703 -1.359 . . . . 37.710000000000001 109.703 179.24 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -77.83 -7.51 16.52 Favored 'Trans proline' 0 C--O 1.243 0.76 0 C-N-CA 121.633 1.555 . . . . 38.060000000000002 115.631 -169.944 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.444 HG12 ' CB ' ' A' ' 145' ' ' ALA . 91.2 t -67.74 119.54 13.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 N-CA-C 112.203 0.446 . . . . 36.920000000000002 112.203 -177.951 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.59 162.02 40.73 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.168 -0.469 . . . . 41.350000000000001 109.941 174.272 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.46 167.66 30.32 Favored Glycine 0 C--N 1.334 0.432 0 O-C-N 123.64 0.587 . . . . 33.969999999999999 112.663 179.4 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.8 mm -116.4 131.83 67.8 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 N-CA-C 108.265 -1.013 . . . . 36.450000000000003 108.265 -176.597 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.2 mm -123.51 127.86 74.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 C-N-CA 120.303 -0.559 . . . . 29.23 110.199 179.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -99.87 151.47 21.26 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.535 0.568 . . . . 26.690000000000001 112.535 176.977 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -138.37 133.57 33.08 Favored 'General case' 0 CA--C 1.495 -1.172 0 N-CA-C 106.656 -1.609 . . . . 27.739999999999998 106.656 176.955 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -138.4 143.45 39.78 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 108.179 -1.045 . . . . 36.170000000000002 108.179 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.484 ' HB2' HG22 ' A' ' 29' ' ' VAL . 48.7 tt0 -142.86 117.4 9.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 N-CA-C 106.228 -1.767 . . . . 27.780000000000001 106.228 179.405 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.1 mmtt -78.12 -47.3 18.54 Favored 'General case' 0 CA--C 1.555 1.139 0 CA-C-N 117.659 0.209 . . . . 36.520000000000003 111.312 -173.635 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -105.38 149.27 26.25 Favored 'General case' 0 C--O 1.22 -0.454 0 N-CA-C 108.101 -1.074 . . . . 35.350000000000001 108.101 175.787 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.54 -11.56 44.97 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 113.973 1.101 . . . . 36.350000000000001 113.973 178.106 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -120.27 -4.92 9.93 Favored 'General case' 0 N--CA 1.482 1.125 0 O-C-N 121.377 -0.827 . . . . 37.630000000000003 113.182 174.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -75.96 177.37 50.23 Favored Glycine 0 N--CA 1.444 -0.785 0 N-CA-C 110.671 -0.972 . . . . 32.829999999999998 110.671 179.037 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.19 154.79 60.57 Favored 'Trans proline' 0 CA--C 1.512 -0.614 0 C-N-CA 121.831 1.687 . . . . 30.530000000000001 112.149 177.074 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.484 HG22 ' HB2' ' A' ' 22' ' ' GLN . 40.7 t -102.54 118.69 49.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 105.521 -2.029 . . . . 28.449999999999999 105.521 170.99 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 49.0 mttm -78.54 141.75 37.9 Favored 'General case' 0 C--O 1.241 0.621 0 N-CA-C 108.747 -0.834 . . . . 32.600000000000001 108.747 172.961 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.4 t -133.15 125.25 51.1 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.548 0 O-C-N 123.842 0.714 . . . . 24.469999999999999 109.848 -177.016 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.471 ' HA ' ' O ' ' A' ' 97' ' ' VAL . 15.9 p90 -148.61 165.56 30.92 Favored 'General case' 0 C--O 1.24 0.559 0 C-N-CA 119.013 -1.075 . . . . 23.539999999999999 112.338 177.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 156.08 -171.89 33.94 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 109.407 -1.477 . . . . 24.449999999999999 109.407 177.0 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.5 p -134.56 152.61 51.9 Favored 'General case' 0 C--N 1.316 -0.865 0 N-CA-C 109.56 -0.533 . . . . 29.789999999999999 109.56 167.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.531 HD13 ' CD1' ' A' ' 8' ' ' LEU . 3.4 mt -128.1 136.75 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 105.525 -2.028 . . . . 28.23 105.525 178.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -123.33 164.54 18.62 Favored 'General case' 0 C--O 1.236 0.392 0 O-C-N 124.098 0.874 . . . . 32.57 109.192 -171.13 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.85 24.28 76.84 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 123.214 0.321 . . . . 29.329999999999998 113.873 177.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 36.1 mt -92.64 164.18 13.5 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 122.943 0.497 . . . . 28.780000000000001 111.699 175.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 67.2 p -83.97 149.91 25.99 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 107.895 -1.15 . . . . 27.239999999999998 107.895 170.555 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.7 tt0 -60.92 135.12 57.69 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 109.362 -0.607 . . . . 33.799999999999997 109.362 -176.28 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 121.98 -165.73 14.79 Favored Glycine 0 C--N 1.334 0.435 0 O-C-N 124.352 1.032 . . . . 24.809999999999999 113.326 174.864 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 79.6 mt -82.61 142.46 31.73 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 119.128 -0.463 . . . . 24.27 111.13 -175.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -136.19 125.14 24.2 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 123.691 0.619 . . . . 28.219999999999999 111.255 177.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.42 131.54 25.82 Favored Glycine 0 C--O 1.243 0.664 0 O-C-N 123.481 0.488 . . . . 23.32 113.191 179.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -126.18 99.29 5.82 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 108.007 -1.109 . . . . 25.050000000000001 108.007 -174.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 67.2 m170 -118.66 162.91 17.62 Favored 'General case' 0 N--CA 1.434 -1.273 0 CA-C-O 121.29 0.567 . . . . 28.75 112.475 -170.574 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.69 109.29 27.45 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.595 0 N-CA-C 106.473 -1.677 . . . . 32.960000000000001 106.473 166.051 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.467 ' CD2' HH22 ' A' ' 143' ' ' ARG . 49.4 t60 -83.16 -170.4 3.02 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 109.032 -0.729 . . . . 39.57 109.032 -179.832 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' O ' ' C ' ' A' ' 50' ' ' GLU . 4.2 tp10 -111.19 -53.18 2.73 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 113.932 1.086 . . . . 44.490000000000002 113.932 177.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 49' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 113.138 0.792 . . . . 43.439999999999998 113.138 172.2 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' N ' ' A' ' 82' ' ' GLY . 1.5 p . . . . . 0 C--O 1.239 0.545 0 N-CA-C 112.44 0.533 . . . . 39.030000000000001 112.44 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.402 ' N ' ' CG2' ' A' ' 81' ' ' VAL . . . -126.02 138.04 10.54 Favored Glycine 0 C--O 1.247 0.932 0 N-CA-C 106.646 -2.581 . . . . 38.170000000000002 106.646 163.67 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.08 124.97 44.48 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 110.016 -0.364 . . . . 37.159999999999997 110.016 -175.216 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 60.6 mt -101.55 32.25 3.43 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 108.759 -0.83 . . . . 33.689999999999998 108.759 164.081 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . 70.36 -126.1 15.37 Favored Glycine 0 C--O 1.244 0.746 0 N-CA-C 115.153 0.821 . . . . 30.32 115.153 -174.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -133.32 157.43 45.51 Favored 'General case' 0 C--O 1.254 1.324 0 N-CA-C 107.186 -1.413 . . . . 27.66 107.186 179.059 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.5 m -107.85 154.85 8.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 O-C-N 124.275 0.984 . . . . 27.989999999999998 109.167 160.073 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.3 m -114.72 115.59 27.31 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 123.616 0.767 . . . . 28.77 111.306 -173.916 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -87.23 144.67 26.71 Favored 'General case' 0 C--O 1.248 0.996 0 N-CA-C 109.463 -0.569 . . . . 29.670000000000002 109.463 177.086 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -89.96 -171.31 3.1 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.847 -1.07 . . . . 32.93 109.916 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 32.0 mmtt -58.16 -36.96 73.79 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 115.76 1.763 . . . . 34.259999999999998 115.76 -177.543 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -106.08 23.95 13.21 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-N 119.057 0.844 . . . . 33.380000000000003 112.934 -179.584 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 93.86 12.17 56.98 Favored Glycine 0 C--O 1.242 0.625 0 N-CA-C 116.664 1.426 . . . . 30.120000000000001 116.664 165.046 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 58.8 t -108.32 129.09 63.24 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.537 0 CA-C-O 121.134 0.492 . . . . 29.780000000000001 112.034 -175.002 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -118.92 115.42 24.35 Favored 'General case' 0 CA--C 1.507 -0.704 0 N-CA-C 107.737 -1.209 . . . . 28.850000000000001 107.737 -178.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -89.69 129.36 36.12 Favored 'General case' 0 CA--C 1.494 -1.176 0 N-CA-C 107.319 -1.363 . . . . 32.670000000000002 107.319 174.33 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.471 ' O ' ' HA ' ' A' ' 32' ' ' TRP . 14.7 t -111.1 118.37 57.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.872 0 O-C-N 124.43 1.081 . . . . 30.530000000000001 109.464 -174.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.9 t -139.18 116.25 11.0 Favored 'General case' 0 N--CA 1.432 -1.339 0 N-CA-C 105.871 -1.9 . . . . 32.270000000000003 105.871 169.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 62.5 mt -141.85 150.23 19.39 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 N-CA-C 107.359 -1.349 . . . . 36.259999999999998 107.359 -167.679 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -133.45 117.32 17.06 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 107.533 -1.284 . . . . 47.32 107.533 171.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.418 ' OD2' HG12 ' A' ' 104' ' ' ILE . 18.1 t70 -128.48 116.18 19.31 Favored 'General case' 0 C--O 1.246 0.899 0 C-N-CA 123.58 0.752 . . . . 44.030000000000001 109.292 -167.972 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.2 m -93.2 5.15 52.54 Favored 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 112.565 0.579 . . . . 35.350000000000001 112.565 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 33.9 t -89.4 -55.78 5.91 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.917 0 N-CA-C 108.737 -0.838 . . . . 31.879999999999999 108.737 177.181 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.418 HG12 ' OD2' ' A' ' 101' ' ' ASP . 34.1 pt -67.31 153.34 8.92 Favored 'Isoleucine or valine' 0 C--O 1.244 0.791 0 N-CA-C 112.81 0.67 . . . . 28.640000000000001 112.81 176.04 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 22.8 t -145.25 155.86 43.49 Favored 'General case' 0 N--CA 1.441 -0.913 0 N-CA-C 106.309 -1.738 . . . . 24.260000000000002 106.309 179.568 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.4 mt -97.71 -12.8 21.94 Favored 'General case' 0 CA--C 1.534 0.338 0 O-C-N 123.546 0.529 . . . . 22.399999999999999 110.992 177.457 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -123.91 -179.08 4.26 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 123.748 0.655 . . . . 25.399999999999999 111.404 175.71 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 80.94 -178.26 54.09 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.412 -0.423 . . . . 23.050000000000001 112.729 178.521 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -64.34 -26.47 68.49 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 116.833 0.316 . . . . 27.239999999999998 111.623 -170.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.663 ' O ' ' O ' ' A' ' 224' ' ' HOH . 91.0 m-70 -118.07 50.16 1.18 Allowed 'General case' 0 CA--C 1.497 -1.061 0 C-N-CA 120.52 -0.472 . . . . 25.460000000000001 110.104 -179.584 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -71.41 142.08 50.3 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.493 -0.776 . . . . 23.329999999999998 110.74 176.632 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 42.6 pt -85.89 -5.03 9.63 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.033 0 N-CA-C 115.265 1.58 . . . . 28.899999999999999 115.265 177.641 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.0 mm -64.86 129.57 29.09 Favored 'Isoleucine or valine' 0 C--O 1.243 0.756 0 O-C-N 121.53 -0.732 . . . . 25.079999999999998 109.691 176.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.48 -1.4 85.85 Favored Glycine 0 N--CA 1.442 -0.901 0 CA-C-O 119.251 -0.749 . . . . 26.93 112.905 -176.062 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -90.19 168.5 11.89 Favored 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 117.668 0.734 . . . . 40.340000000000003 110.628 167.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 63.5 m -106.4 124.49 49.68 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 112.756 0.65 . . . . 29.41 112.756 -177.984 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.429 HD23 HD21 ' A' ' 8' ' ' LEU . 17.5 tp -83.86 137.81 33.5 Favored 'General case' 0 C--O 1.24 0.564 0 N-CA-C 106.17 -1.789 . . . . 27.760000000000002 106.17 177.277 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.71 HG13 ' SG ' ' A' ' 146' ' ' CYS . 21.8 t -136.24 130.88 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.279 0 O-C-N 124.379 1.049 . . . . 27.640000000000001 109.679 -172.791 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 3.2 p -107.36 123.99 62.97 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 N-CA-C 107.264 -1.384 . . . . 26.989999999999998 107.264 168.305 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' HIS . . . . . . . . . . . . . 52.8 m-70 -97.56 157.0 16.26 Favored 'General case' 0 C--O 1.245 0.865 0 CA-C-N 115.497 -0.774 . . . . 24.43 110.932 -171.177 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -55.85 -40.27 72.63 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 116.359 1.985 . . . . 34.079999999999998 116.359 176.714 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' LYS . . . . . . . . . . . . . . . -118.34 173.83 6.59 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 123.961 0.788 . . . . 26.649999999999999 109.499 -177.607 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.23 149.67 46.03 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 122.196 -0.315 . . . . 25.600000000000001 110.629 177.481 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.69 115.9 19.57 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 105.676 -1.972 . . . . 28.420000000000002 105.676 158.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 58.4 p30 -80.56 -5.51 56.88 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 119.599 -0.841 . . . . 29.34 111.419 -176.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 50.3 mt 59.37 33.63 22.48 Favored 'General case' 0 CA--C 1.499 -1.01 0 C-N-CA 124.852 1.261 . . . . 28.879999999999999 112.392 173.042 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 127' ' ' GLY . . . . . . . . . . . . . . . 79.11 13.49 82.89 Favored Glycine 0 C--O 1.22 -0.732 0 CA-C-N 115.617 -0.72 . . . . 24.34 112.797 178.303 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -129.55 39.77 3.68 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.214 0.531 . . . . 26.469999999999999 110.126 -174.908 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 129' ' ' GLY . . . . . . . . . . . . . . . -78.15 -7.15 87.76 Favored Glycine 0 C--O 1.214 -1.096 0 CA-C-N 115.85 -0.614 . . . . 22.18 113.98 -177.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . 91.93 -1.98 75.29 Favored Glycine 0 CA--C 1.503 -0.658 0 N-CA-C 110.496 -1.042 . . . . 23.07 110.496 178.265 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.445 -0.698 0 N-CA-C 111.701 0.26 . . . . 29.120000000000001 111.701 -176.05 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 109.79 -0.448 . . . . 37.75 109.79 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -112.94 24.14 12.69 Favored 'General case' 0 N--CA 1.502 2.136 0 N-CA-C 114.172 1.175 . . . . 35.090000000000003 114.172 172.169 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 73.94 -169.43 53.7 Favored Glycine 0 N--CA 1.464 0.531 0 O-C-N 121.811 -0.556 . . . . 33.479999999999997 112.347 177.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.24 156.74 14.82 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.767 -0.217 . . . . 32.43 110.882 -176.928 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.467 HH22 ' CD2' ' A' ' 48' ' ' HIS . 7.3 mtt-85 -82.73 116.16 21.97 Favored 'General case' 0 C--O 1.248 1.02 0 N-CA-C 106.016 -1.846 . . . . 36.659999999999997 106.016 169.21 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 12.8 mt -90.26 -40.2 12.3 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 120.947 -0.301 . . . . 30.84 111.705 -174.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.444 ' CB ' HG12 ' A' ' 14' ' ' VAL . . . -151.99 143.79 23.67 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-O 120.976 0.417 . . . . 26.73 111.356 175.636 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' CYS . . . . . 0.71 ' SG ' HG13 ' A' ' 118' ' ' VAL . 0.1 OUTLIER -141.38 155.81 45.87 Favored 'General case' 0 C--O 1.25 1.087 0 CA-C-O 121.615 0.721 . . . . 28.559999999999999 111.649 -169.233 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' GLY . . . . . . . . . . . . . . . -162.0 139.64 6.1 Favored Glycine 0 C--O 1.222 -0.646 0 CA-C-N 115.178 -0.919 . . . . 28.359999999999999 111.817 -173.967 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 2.7 t -79.32 138.54 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.325 0 N-CA-C 108.767 -0.827 . . . . 29.399999999999999 108.767 -179.721 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' ILE . . . . . . . . . . . . . 72.5 mt -89.15 103.16 13.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 N-CA-C 106.848 -1.538 . . . . 27.199999999999999 106.848 -179.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . -108.18 147.12 16.48 Favored Glycine 0 N--CA 1.473 1.101 0 N-CA-C 110.908 -0.877 . . . . 27.379999999999999 110.908 -175.831 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 6.0 mm -64.66 136.25 26.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 CA-C-O 120.883 0.373 . . . . 30.32 110.174 175.124 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.242 0.708 0 C-N-CA 124.455 1.102 . . . . 35.119999999999997 108.703 177.3 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . 0.663 ' O ' ' O ' ' A' ' 110' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_