data_2qr3_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 2qr3 _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.508 2.445 0 CA-C-O 119.556 -0.259 . . . . 36.109999999999999 110.424 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.7 mt -113.03 122.0 46.3 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.264 0.626 . . . . 37.020000000000003 112.588 178.046 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.26 -123.79 4.16 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.557 -1.017 . . . . 28.800000000000001 110.557 -175.338 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.4 m -97.36 142.6 29.03 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.076 -0.562 . . . . 23.350000000000001 110.957 -165.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.0 tt -120.4 141.87 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 108.506 -0.924 . . . . 17.469999999999999 108.506 169.358 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 80.6 mt -110.64 129.96 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 N-CA-C 105.783 -1.932 . . . . 22.670000000000002 105.783 175.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.84 126.85 69.27 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 N-CA-C 109.474 -0.565 . . . . 27.129999999999999 109.474 173.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -120.32 114.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 104.99 -2.226 . . . . 18.079999999999998 104.99 -172.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -157.6 144.36 18.04 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 119.322 -0.951 . . . . 23.579999999999998 108.892 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -73.63 -20.78 60.49 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.175 0.99 . . . . 34.109999999999999 111.383 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -99.09 109.03 21.8 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.874 -0.787 . . . . 23.449999999999999 108.874 -170.797 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -63.06 -28.27 69.97 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.025 -0.67 . . . . 34.890000000000001 111.479 -174.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.14 73.76 Favored Glycine 0 N--CA 1.477 1.395 0 N-CA-C 111.062 -0.815 . . . . 17.32 111.062 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 t -66.75 -43.79 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 107.18 -1.415 . . . . 17.530000000000001 107.18 178.8 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.82 -46.86 86.68 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.279 0.474 . . . . 19.09 112.279 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.8 m -54.62 -48.67 71.95 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 121.183 -0.207 . . . . 18.699999999999999 111.122 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.7 82.19 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 121.229 0.538 . . . . 18.030000000000001 110.804 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.9 t -72.0 -36.67 58.15 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 C-N-CA 118.806 -1.158 . . . . 23.18 109.798 -171.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -57.29 -49.75 75.08 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 107.539 -1.282 . . . . 42.090000000000003 107.539 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.38 -40.56 82.64 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.955 -0.566 . . . . 28.629999999999999 111.999 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.37 -32.56 68.62 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 112.41 0.522 . . . . 26.190000000000001 112.41 -177.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -103.73 -16.7 15.37 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 114.906 1.447 . . . . 26.789999999999999 114.906 -169.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -40.25 -35.26 0.39 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 127.446 2.298 . . . . 43.539999999999999 113.15 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.85 9.12 34.89 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 114.735 1.383 . . . . 43.560000000000002 114.735 -169.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -113.34 -48.15 2.97 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.974 -1.012 . . . . 43.25 111.556 176.623 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -90.88 151.97 20.93 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 109.238 -0.653 . . . . 28.629999999999999 109.238 -179.723 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -65.56 -34.45 78.28 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 111.981 0.363 . . . . 33.68 111.981 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -146.04 135.37 22.93 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.064 -1.088 . . . . 39.049999999999997 108.064 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.54 113.95 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 106.342 -1.725 . . . . 21.550000000000001 106.342 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.2 mt -104.33 125.62 59.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.585 -0.894 . . . . 22.059999999999999 108.585 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.7 p -115.53 141.61 47.83 Favored 'General case' 0 C--O 1.252 1.187 0 N-CA-C 108.298 -1.001 . . . . 21.440000000000001 108.298 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.59 164.14 38.53 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 120.173 -0.611 . . . . 24.739999999999998 111.899 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.6 m -133.09 10.93 4.21 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 123.501 0.501 . . . . 26.460000000000001 110.965 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -114.94 128.56 25.81 Favored Pre-proline 0 C--O 1.215 -0.733 0 N-CA-C 113.542 0.941 . . . . 28.370000000000001 113.542 -175.458 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.47 -40.03 87.78 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.538 1.492 . . . . 25.969999999999999 112.275 173.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.63 -49.06 82.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 120.089 -0.644 . . . . 23.52 111.117 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -54.93 -44.36 74.19 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.997 0.369 . . . . 27.890000000000001 111.997 172.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.16 -48.81 73.23 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 123.354 0.409 . . . . 21.190000000000001 110.922 179.03 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.2 p -55.68 -42.11 74.67 Favored 'General case' 0 CA--C 1.563 1.46 0 O-C-N 121.433 -0.792 . . . . 24.850000000000001 112.844 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -64.76 -52.48 56.71 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.633 -0.667 . . . . 24.649999999999999 110.972 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 m -64.35 -37.1 79.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 113.378 0.881 . . . . 25.710000000000001 113.378 -176.355 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.47 -36.21 75.54 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.495 0.589 . . . . 23.850000000000001 112.229 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -76.24 -43.83 40.17 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.753 -0.658 . . . . 28.300000000000001 111.522 -177.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -96.02 -23.19 16.93 Favored 'General case' 0 C--O 1.245 0.863 0 N-CA-C 116.142 1.904 . . . . 37.609999999999999 116.142 -167.812 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -102.32 3.74 38.36 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 118.236 2.68 . . . . 33.299999999999997 118.236 -167.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 m120 44.28 55.48 12.96 Favored Pre-proline 0 N--CA 1.471 0.613 0 CA-C-O 121.681 0.753 . . . . 31.25 112.724 -179.301 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -65.05 147.22 88.67 Favored 'Trans proline' 0 C--N 1.353 0.804 0 O-C-N 122.074 0.513 . . . . 22.890000000000001 112.672 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -91.72 -21.26 20.83 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 113.997 1.11 . . . . 42.130000000000003 113.997 174.148 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.1 p -164.0 154.3 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 N-CA-C 106.225 -1.769 . . . . 16.940000000000001 106.225 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.5 t -122.39 131.72 72.61 Favored 'Isoleucine or valine' 0 C--O 1.247 0.97 0 N-CA-C 105.298 -2.112 . . . . 15.449999999999999 105.298 174.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.4 tp -100.55 115.36 29.96 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 106.261 -1.755 . . . . 15.69 106.261 169.863 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.8 tp -116.09 119.39 35.7 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 113.738 1.014 . . . . 16.800000000000001 113.738 -170.192 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -56.07 125.38 21.35 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.669 1.188 . . . . 24.829999999999998 110.153 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.7 tpt -59.21 -27.57 65.86 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.59 0.756 . . . . 25.75 109.03 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -108.74 16.56 22.72 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.458 0.54 . . . . 34.990000000000002 112.458 -174.534 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -47.97 126.7 11.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.607 -0.27 . . . . 29.07 110.6 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.5 p 65.77 26.21 11.3 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.175 1.546 . . . . 34.329999999999998 115.175 -178.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.473 0.705 0 CA-C-N 117.424 0.102 . . . . 38.590000000000003 111.243 -176.771 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.659 0.266 . . . . 44.899999999999999 110.723 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -136.81 -135.67 0.14 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 119.344 -0.942 . . . . 42.399999999999999 111.5 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.25 -43.13 84.14 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 114.689 0.636 . . . . 31.359999999999999 114.689 -176.905 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.79 -40.7 92.21 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 119.464 -0.895 . . . . 26.5 111.512 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.94 -49.76 72.62 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.566 -0.743 . . . . 33.140000000000001 112.224 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -67.56 -35.11 78.41 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.082 0.771 . . . . 30.850000000000001 113.082 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.0 tp -57.82 -44.39 86.37 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.075 0.941 . . . . 21.57 108.504 174.78 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -67.12 -40.91 86.9 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.439 -0.8 . . . . 37.670000000000002 110.471 -173.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -70.95 -40.18 72.16 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.615 -0.721 . . . . 30.199999999999999 110.128 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.98 -46.69 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 119.728 -0.789 . . . . 25.899999999999999 110.762 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.5 mmmt -67.5 -27.19 66.78 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.494 -0.754 . . . . 34.119999999999997 111.813 -177.595 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -60.43 -43.58 96.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 32.289999999999999 111.08 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -91.57 -35.83 14.03 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 114.006 1.113 . . . . 39.759999999999998 114.006 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -121.82 76.16 1.26 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 122.225 1.012 . . . . 26.350000000000001 110.03 -177.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -58.09 -31.85 67.51 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.228 -0.897 . . . . 45.520000000000003 113.281 -168.823 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -100.04 5.67 45.04 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.549 1.685 . . . . 33.240000000000002 115.549 -177.323 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.2 tp -83.88 114.88 56.9 Favored Pre-proline 0 N--CA 1.469 0.487 0 O-C-N 121.919 -0.488 . . . . 21.75 109.851 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -62.92 133.32 40.99 Favored 'Trans proline' 0 C--N 1.355 0.878 0 O-C-N 122.125 0.54 . . . . 19.0 111.748 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.6 123.82 71.18 Favored 'Isoleucine or valine' 0 C--O 1.261 1.708 0 O-C-N 124.811 1.319 . . . . 16.920000000000002 107.892 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.21 125.47 64.89 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 N-CA-C 106.645 -1.613 . . . . 17.859999999999999 106.645 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.59 142.8 32.47 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 110.08 -0.341 . . . . 22.469999999999999 110.08 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.45 112.07 21.72 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 102.723 -3.066 . . . . 21.059999999999999 102.723 -178.877 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -127.16 134.57 50.15 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.464 0.912 . . . . 20.48 113.464 -165.363 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.74 155.79 32.56 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.603 -0.517 . . . . 23.100000000000001 109.603 166.77 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -55.05 -33.59 62.83 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 119.559 -0.856 . . . . 34.600000000000001 113.27 172.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.94 -13.85 62.49 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 112.675 0.62 . . . . 26.969999999999999 112.675 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -112.37 15.73 20.19 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 115.114 1.524 . . . . 28.760000000000002 115.114 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.71 -29.06 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 114.449 1.277 . . . . 25.239999999999998 114.449 -174.504 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -60.2 -41.65 93.4 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.128 0.49 . . . . 24.77 111.138 173.372 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.03 -32.42 69.17 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.356 0.502 . . . . 24.489999999999998 112.356 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.57 91.67 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 120.918 -0.313 . . . . 17.59 110.639 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.59 -43.25 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 109.221 -0.659 . . . . 17.449999999999999 109.221 175.663 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -61.28 -38.21 85.96 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.494 -0.754 . . . . 42.219999999999999 110.274 175.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.95 -46.89 67.88 Favored Glycine 0 N--CA 1.481 1.687 0 C-N-CA 121.106 -0.568 . . . . 17.300000000000001 113.832 173.819 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.6 mm -57.26 -46.76 85.09 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 122.478 1.133 . . . . 15.859999999999999 108.347 176.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -57.39 -32.08 66.46 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.697 -0.801 . . . . 21.02 111.598 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -98.21 9.71 42.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.603 -0.726 . . . . 28.27 111.759 -173.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.75 4.86 34.07 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 116.881 1.512 . . . . 22.02 116.881 165.781 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.65 144.17 38.7 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.481 1.141 . . . . 18.850000000000001 111.266 168.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.2 m -73.49 -33.16 64.67 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 114.236 1.198 . . . . 21.760000000000002 114.236 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -171.77 177.1 3.45 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.279 -1.378 . . . . 20.469999999999999 107.279 -177.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -143.53 156.91 44.75 Favored 'General case' 0 C--O 1.252 1.233 0 C-N-CA 119.918 -0.713 . . . . 20.100000000000001 111.728 168.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.78 132.56 68.8 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.187 0 N-CA-C 105.476 -2.046 . . . . 17.43 105.476 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.3 t -91.99 146.32 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.818 -0.808 . . . . 25.350000000000001 108.818 -176.899 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -104.75 142.07 23.87 Favored Pre-proline 0 CA--C 1.547 0.858 0 N-CA-C 107.471 -1.307 . . . . 33.18 107.471 171.422 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -65.67 137.96 34.74 Favored 'Cis proline' 0 C--O 1.242 0.684 0 N-CA-C 109.331 -1.065 . . . . 27.920000000000002 109.331 -3.207 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -91.49 166.28 12.94 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.26 0.837 . . . . 22.899999999999999 113.26 -175.476 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -99.52 131.79 45.29 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 105.215 -2.143 . . . . 31.43 105.215 168.014 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.04 -45.82 91.55 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.406 0.891 . . . . 24.530000000000001 113.406 -172.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -68.99 -40.54 78.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 119.11 -1.036 . . . . 46.409999999999997 113.281 179.403 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -59.55 -40.76 88.33 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.236 0.458 . . . . 36.630000000000003 112.236 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.8 tp -60.91 -49.39 77.67 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.274 -0.639 . . . . 24.289999999999999 109.274 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.78 -47.18 87.49 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.533 -0.467 . . . . 25.149999999999999 109.858 -178.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -62.13 -42.98 99.78 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 115.224 -0.898 . . . . 41.719999999999999 113.16 -175.399 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 96.5 m -59.42 -42.06 90.96 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 123.9 0.75 . . . . 20.969999999999999 110.372 176.108 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.42 -43.61 60.05 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 123.745 0.653 . . . . 20.739999999999998 110.116 -175.499 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.83 -46.94 86.5 Favored 'General case' 0 C--O 1.251 1.174 0 C-N-CA 119.446 -0.902 . . . . 27.989999999999998 111.372 174.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.13 -43.21 91.96 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.399 -0.52 . . . . 24.370000000000001 111.848 177.956 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.17 79.8 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.068 -0.653 . . . . 22.289999999999999 111.55 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.77 -9.49 58.77 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 124.584 1.154 . . . . 30.32 111.275 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 m -119.86 41.98 3.03 Favored 'General case' 0 C--O 1.252 1.22 0 C-N-CA 123.686 0.794 . . . . 35.219999999999999 112.138 -177.161 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -91.84 150.83 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 118.223 -1.391 . . . . 46.840000000000003 110.397 171.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.762 0 O-C-N 123.598 0.561 . . . . 43.57 111.891 179.029 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.508 2.445 0 CA-C-O 119.556 -0.259 . . . . 36.11 110.424 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' LEU . . . . . 0.512 HD11 ' CD2' ' A' ' 119' ' ' LEU . 3.7 mt -113.03 122.0 46.3 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.264 0.626 . . . . 37.02 112.588 178.046 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.26 -123.79 4.16 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.557 -1.017 . . . . 28.8 110.557 -175.338 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.4 m -97.36 142.6 29.03 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.076 -0.562 . . . . 23.35 110.957 -165.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.0 tt -120.4 141.87 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 108.506 -0.924 . . . . 17.47 108.506 169.358 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 40' ' ' VAL . 80.6 mt -110.64 129.96 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 N-CA-C 105.783 -1.932 . . . . 22.67 105.783 175.59 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.84 126.85 69.27 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 N-CA-C 109.474 -0.565 . . . . 27.13 109.474 173.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -120.32 114.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 104.99 -2.226 . . . . 18.08 104.99 -172.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -157.6 144.36 18.04 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 119.322 -0.951 . . . . 23.58 108.892 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -73.63 -20.78 60.49 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.175 0.99 . . . . 34.11 111.383 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -99.09 109.03 21.8 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.874 -0.787 . . . . 23.45 108.874 -170.797 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -63.06 -28.27 69.97 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.025 -0.67 . . . . 34.89 111.479 -174.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.14 73.76 Favored Glycine 0 N--CA 1.477 1.395 0 N-CA-C 111.062 -0.815 . . . . 17.32 111.062 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 t -66.75 -43.79 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 107.18 -1.415 . . . . 17.53 107.18 178.8 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.82 -46.86 86.68 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.279 0.474 . . . . 19.09 112.279 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.8 m -54.62 -48.67 71.95 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 121.183 -0.207 . . . . 18.7 111.122 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.7 82.19 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 121.229 0.538 . . . . 18.03 110.804 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.9 t -72.0 -36.67 58.15 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 C-N-CA 118.806 -1.158 . . . . 23.18 109.798 -171.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -57.29 -49.75 75.08 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 107.539 -1.282 . . . . 42.09 107.539 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.38 -40.56 82.64 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.955 -0.566 . . . . 28.63 111.999 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.37 -32.56 68.62 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 112.41 0.522 . . . . 26.19 112.41 -177.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -103.73 -16.7 15.37 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 114.906 1.447 . . . . 26.79 114.906 -169.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -40.25 -35.26 0.39 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 127.446 2.298 . . . . 43.54 113.15 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.85 9.12 34.89 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 114.735 1.383 . . . . 43.56 114.735 -169.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -113.34 -48.15 2.97 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.974 -1.012 . . . . 43.25 111.556 176.623 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -90.88 151.97 20.93 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 109.238 -0.653 . . . . 28.63 109.238 -179.723 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -65.56 -34.45 78.28 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 111.981 0.363 . . . . 33.68 111.981 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -146.04 135.37 22.93 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.064 -1.088 . . . . 39.05 108.064 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.54 113.95 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 106.342 -1.725 . . . . 21.55 106.342 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.2 mt -104.33 125.62 59.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.585 -0.894 . . . . 22.06 108.585 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.7 p -115.53 141.61 47.83 Favored 'General case' 0 C--O 1.252 1.187 0 N-CA-C 108.298 -1.001 . . . . 21.44 108.298 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.59 164.14 38.53 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 120.173 -0.611 . . . . 24.74 111.899 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.6 m -133.09 10.93 4.21 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 123.501 0.501 . . . . 26.46 110.965 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -114.94 128.56 25.81 Favored Pre-proline 0 C--O 1.215 -0.733 0 N-CA-C 113.542 0.941 . . . . 28.37 113.542 -175.458 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.47 -40.03 87.78 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.538 1.492 . . . . 25.97 112.275 173.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.63 -49.06 82.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 120.089 -0.644 . . . . 23.52 111.117 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -54.93 -44.36 74.19 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.997 0.369 . . . . 27.89 111.997 172.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.16 -48.81 73.23 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 123.354 0.409 . . . . 21.19 110.922 179.03 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.2 p -55.68 -42.11 74.67 Favored 'General case' 0 CA--C 1.563 1.46 0 O-C-N 121.433 -0.792 . . . . 24.85 112.844 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -64.76 -52.48 56.71 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.633 -0.667 . . . . 24.65 110.972 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG23 HD13 ' A' ' 5' ' ' ILE . 10.4 m -64.35 -37.1 79.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 113.378 0.881 . . . . 25.71 113.378 -176.355 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.47 -36.21 75.54 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.495 0.589 . . . . 23.85 112.229 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -76.24 -43.83 40.17 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.753 -0.658 . . . . 28.3 111.522 -177.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -96.02 -23.19 16.93 Favored 'General case' 0 C--O 1.245 0.863 0 N-CA-C 116.142 1.904 . . . . 37.61 116.142 -167.812 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -102.32 3.74 38.36 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 118.236 2.68 . . . . 33.3 118.236 -167.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 m120 44.28 55.48 12.96 Favored Pre-proline 0 N--CA 1.471 0.613 0 CA-C-O 121.681 0.753 . . . . 31.25 112.724 -179.301 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -65.05 147.22 88.67 Favored 'Trans proline' 0 C--N 1.353 0.804 0 O-C-N 122.074 0.513 . . . . 22.89 112.672 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -91.72 -21.26 20.83 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 113.997 1.11 . . . . 42.13 113.997 174.148 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.1 p -164.0 154.3 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 N-CA-C 106.225 -1.769 . . . . 16.94 106.225 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.5 t -122.39 131.72 72.61 Favored 'Isoleucine or valine' 0 C--O 1.247 0.97 0 N-CA-C 105.298 -2.112 . . . . 15.45 105.298 174.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.4 tp -100.55 115.36 29.96 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 106.261 -1.755 . . . . 15.69 106.261 169.863 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.8 tp -116.09 119.39 35.7 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 113.738 1.014 . . . . 16.8 113.738 -170.192 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -56.07 125.38 21.35 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.669 1.188 . . . . 24.83 110.153 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.7 tpt -59.21 -27.57 65.86 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.59 0.756 . . . . 25.75 109.03 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -108.74 16.56 22.72 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.458 0.54 . . . . 34.99 112.458 -174.534 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -47.97 126.7 11.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.607 -0.27 . . . . 29.07 110.6 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.5 p 65.77 26.21 11.3 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.175 1.546 . . . . 34.33 115.175 -178.88 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.473 0.705 0 CA-C-N 117.424 0.102 . . . . 38.59 111.243 -176.771 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.659 0.266 . . . . 44.9 110.723 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -136.81 -135.67 0.14 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 119.344 -0.942 . . . . 42.4 111.5 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.25 -43.13 84.14 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 114.689 0.636 . . . . 31.36 114.689 -176.905 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.79 -40.7 92.21 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 119.464 -0.895 . . . . 26.5 111.512 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.94 -49.76 72.62 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.566 -0.743 . . . . 33.14 112.224 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -67.56 -35.11 78.41 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.082 0.771 . . . . 30.85 113.082 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 14.0 tp -57.82 -44.39 86.37 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.075 0.941 . . . . 21.57 108.504 174.78 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -67.12 -40.91 86.9 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.439 -0.8 . . . . 37.67 110.471 -173.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -70.95 -40.18 72.16 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.615 -0.721 . . . . 30.2 110.128 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.98 -46.69 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 119.728 -0.789 . . . . 25.9 110.762 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 31.5 mmmt -67.5 -27.19 66.78 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.494 -0.754 . . . . 34.12 111.813 -177.595 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -60.43 -43.58 96.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 32.29 111.08 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -91.57 -35.83 14.03 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 114.006 1.113 . . . . 39.76 114.006 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -121.82 76.16 1.26 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 122.225 1.012 . . . . 26.35 110.03 -177.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -58.09 -31.85 67.51 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.228 -0.897 . . . . 45.52 113.281 -168.823 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -100.04 5.67 45.04 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.549 1.685 . . . . 33.24 115.549 -177.323 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.2 tp -83.88 114.88 56.9 Favored Pre-proline 0 N--CA 1.469 0.487 0 O-C-N 121.919 -0.488 . . . . 21.75 109.851 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -62.92 133.32 40.99 Favored 'Trans proline' 0 C--N 1.355 0.878 0 O-C-N 122.125 0.54 . . . . 19.0 111.748 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.6 123.82 71.18 Favored 'Isoleucine or valine' 0 C--O 1.261 1.708 0 O-C-N 124.811 1.319 . . . . 16.92 107.892 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.21 125.47 64.89 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 N-CA-C 106.645 -1.613 . . . . 17.86 106.645 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.59 142.8 32.47 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 110.08 -0.341 . . . . 22.47 110.08 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.45 112.07 21.72 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 102.723 -3.066 . . . . 21.06 102.723 -178.877 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -127.16 134.57 50.15 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.464 0.912 . . . . 20.48 113.464 -165.363 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.74 155.79 32.56 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.603 -0.517 . . . . 23.1 109.603 166.77 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -55.05 -33.59 62.83 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 119.559 -0.856 . . . . 34.6 113.27 172.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.94 -13.85 62.49 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 112.675 0.62 . . . . 26.97 112.675 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -112.37 15.73 20.19 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 115.114 1.524 . . . . 28.76 115.114 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.71 -29.06 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 114.449 1.277 . . . . 25.24 114.449 -174.504 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -60.2 -41.65 93.4 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.128 0.49 . . . . 24.77 111.138 173.372 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.03 -32.42 69.17 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.356 0.502 . . . . 24.49 112.356 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.57 91.67 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 120.918 -0.313 . . . . 17.59 110.639 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.59 -43.25 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 109.221 -0.659 . . . . 17.45 109.221 175.663 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -61.28 -38.21 85.96 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.494 -0.754 . . . . 42.22 110.274 175.998 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.95 -46.89 67.88 Favored Glycine 0 N--CA 1.481 1.687 0 C-N-CA 121.106 -0.568 . . . . 17.3 113.832 173.819 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.6 mm -57.26 -46.76 85.09 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 122.478 1.133 . . . . 15.86 108.347 176.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -57.39 -32.08 66.46 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.697 -0.801 . . . . 21.02 111.598 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -98.21 9.71 42.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.603 -0.726 . . . . 28.27 111.759 -173.279 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.75 4.86 34.07 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 116.881 1.512 . . . . 22.02 116.881 165.781 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.65 144.17 38.7 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.481 1.141 . . . . 18.85 111.266 168.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.2 m -73.49 -33.16 64.67 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 114.236 1.198 . . . . 21.76 114.236 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -171.77 177.1 3.45 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.279 -1.378 . . . . 20.47 107.279 -177.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -143.53 156.91 44.75 Favored 'General case' 0 C--O 1.252 1.233 0 C-N-CA 119.918 -0.713 . . . . 20.1 111.728 168.678 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.78 132.56 68.8 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.187 0 N-CA-C 105.476 -2.046 . . . . 17.43 105.476 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.3 t -91.99 146.32 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.818 -0.808 . . . . 25.35 108.818 -176.899 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -104.75 142.07 23.87 Favored Pre-proline 0 CA--C 1.547 0.858 0 N-CA-C 107.471 -1.307 . . . . 33.18 107.471 171.422 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -65.67 137.96 34.74 Favored 'Cis proline' 0 C--O 1.242 0.684 0 N-CA-C 109.331 -1.065 . . . . 27.92 109.331 -3.207 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -91.49 166.28 12.94 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.26 0.837 . . . . 22.9 113.26 -175.476 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -99.52 131.79 45.29 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 105.215 -2.143 . . . . 31.43 105.215 168.014 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.04 -45.82 91.55 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.406 0.891 . . . . 24.53 113.406 -172.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 22.6 tp60 -68.99 -40.54 78.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 119.11 -1.036 . . . . 46.41 113.281 179.403 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -59.55 -40.76 88.33 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.236 0.458 . . . . 36.63 112.236 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.8 tp -60.91 -49.39 77.67 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.274 -0.639 . . . . 24.29 109.274 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.78 -47.18 87.49 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.533 -0.467 . . . . 25.15 109.858 -178.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 71.9 mt-10 -62.13 -42.98 99.78 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 115.224 -0.898 . . . . 41.72 113.16 -175.399 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 96.5 m -59.42 -42.06 90.96 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 123.9 0.75 . . . . 20.97 110.372 176.108 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.42 -43.61 60.05 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 123.745 0.653 . . . . 20.74 110.116 -175.499 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 119' ' ' LEU . . . . . 0.512 ' CD2' HD11 ' A' ' 1' ' ' LEU . 67.4 mt -58.83 -46.94 86.5 Favored 'General case' 0 C--O 1.251 1.174 0 C-N-CA 119.446 -0.902 . . . . 27.99 111.372 174.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.13 -43.21 91.96 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.399 -0.52 . . . . 25.9 111.848 177.956 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.17 79.8 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.068 -0.653 . . . . 22.29 111.55 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.77 -9.49 58.77 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 124.584 1.154 . . . . 30.32 111.275 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 m -119.86 41.98 3.03 Favored 'General case' 0 C--O 1.252 1.22 0 C-N-CA 123.686 0.794 . . . . 35.22 112.138 -177.161 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -91.84 150.83 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 118.223 -1.391 . . . . 46.84 110.397 171.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.762 0 O-C-N 123.598 0.561 . . . . 43.57 111.891 179.029 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' SER . . . . . . . . . . . . . 11.1 p . . . . . 0 N--CA 1.508 2.445 0 CA-C-O 119.556 -0.259 . . . . 36.11 110.424 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.512 HD11 ' CD2' ' A' ' 119' ' ' LEU . 3.7 mt -113.03 122.0 46.3 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.264 0.626 . . . . 37.02 112.588 178.046 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -95.26 -123.79 4.16 Favored Glycine 0 N--CA 1.446 -0.671 0 N-CA-C 110.557 -1.017 . . . . 28.8 110.557 -175.338 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 85.4 m -97.36 142.6 29.03 Favored 'General case' 0 N--CA 1.442 -0.841 0 CA-C-N 115.076 -0.562 . . . . 23.35 110.957 -165.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.0 tt -120.4 141.87 38.78 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 N-CA-C 108.506 -0.924 . . . . 17.47 108.506 169.358 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.411 HD13 HG23 ' A' ' 40' ' ' VAL . 80.6 mt -110.64 129.96 64.84 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.061 0 N-CA-C 105.783 -1.932 . . . . 22.67 105.783 175.59 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.84 126.85 69.27 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 N-CA-C 109.474 -0.565 . . . . 27.13 109.474 173.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 58.3 t -120.32 114.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 N-CA-C 104.99 -2.226 . . . . 18.08 104.99 -172.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -157.6 144.36 18.04 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 119.322 -0.951 . . . . 23.58 108.892 -178.951 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -73.63 -20.78 60.49 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 124.175 0.99 . . . . 34.11 111.383 178.391 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -99.09 109.03 21.8 Favored 'General case' 0 C--O 1.238 0.461 0 N-CA-C 108.874 -0.787 . . . . 23.45 108.874 -170.797 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -63.06 -28.27 69.97 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.025 -0.67 . . . . 34.89 111.479 -174.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -69.41 -34.14 73.76 Favored Glycine 0 N--CA 1.477 1.395 0 N-CA-C 111.062 -0.815 . . . . 17.32 111.062 -179.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.9 t -66.75 -43.79 89.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 N-CA-C 107.18 -1.415 . . . . 17.53 107.18 178.8 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.4 mt -58.82 -46.86 86.68 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.279 0.474 . . . . 19.09 112.279 176.514 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.8 m -54.62 -48.67 71.95 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 121.183 -0.207 . . . . 18.7 111.122 174.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -44.7 82.19 Favored 'General case' 0 C--O 1.21 -0.992 0 CA-C-O 121.229 0.538 . . . . 18.03 110.804 -176.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.9 t -72.0 -36.67 58.15 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 C-N-CA 118.806 -1.158 . . . . 23.18 109.798 -171.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -57.29 -49.75 75.08 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 107.539 -1.282 . . . . 42.09 107.539 177.523 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.0 tp -58.38 -40.56 82.64 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.955 -0.566 . . . . 28.63 111.999 178.9 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.1 mt -71.37 -32.56 68.62 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 112.41 0.522 . . . . 26.19 112.41 -177.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 80.1 mt -103.73 -16.7 15.37 Favored 'General case' 0 C--O 1.243 0.755 0 N-CA-C 114.906 1.447 . . . . 26.79 114.906 -169.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.8 mttp -40.25 -35.26 0.39 Allowed 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 127.446 2.298 . . . . 43.54 113.15 -178.941 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.85 9.12 34.89 Favored 'General case' 0 C--O 1.246 0.871 0 N-CA-C 114.735 1.383 . . . . 43.56 114.735 -169.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -113.34 -48.15 2.97 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.974 -1.012 . . . . 43.25 111.556 176.623 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 81.2 m-85 -90.88 151.97 20.93 Favored 'General case' 0 CA--C 1.513 -0.476 0 N-CA-C 109.238 -0.653 . . . . 28.63 109.238 -179.723 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -65.56 -34.45 78.28 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 111.981 0.363 . . . . 33.68 111.981 179.076 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -146.04 135.37 22.93 Favored 'General case' 0 C--O 1.235 0.333 0 N-CA-C 108.064 -1.088 . . . . 39.05 108.064 179.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -117.54 113.95 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 106.342 -1.725 . . . . 21.55 106.342 175.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 94.2 mt -104.33 125.62 59.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 108.585 -0.894 . . . . 22.06 108.585 177.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.7 p -115.53 141.61 47.83 Favored 'General case' 0 C--O 1.252 1.187 0 N-CA-C 108.298 -1.001 . . . . 21.44 108.298 177.791 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 pp -156.59 164.14 38.53 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 120.173 -0.611 . . . . 24.74 111.899 179.416 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.6 m -133.09 10.93 4.21 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 123.501 0.501 . . . . 26.46 110.965 177.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 t -114.94 128.56 25.81 Favored Pre-proline 0 C--O 1.215 -0.733 0 N-CA-C 113.542 0.941 . . . . 28.37 113.542 -175.458 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -55.47 -40.03 87.78 Favored 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 121.538 1.492 . . . . 25.97 112.275 173.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.63 -49.06 82.15 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 120.089 -0.644 . . . . 23.52 111.117 -179.201 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -54.93 -44.36 74.19 Favored 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 111.997 0.369 . . . . 27.89 111.997 172.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.6 tp -55.16 -48.81 73.23 Favored 'General case' 0 CA--C 1.557 1.214 0 O-C-N 123.354 0.409 . . . . 21.19 110.922 179.03 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 56.2 p -55.68 -42.11 74.67 Favored 'General case' 0 CA--C 1.563 1.46 0 O-C-N 121.433 -0.792 . . . . 24.85 112.844 179.778 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 m -64.76 -52.48 56.71 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 121.633 -0.667 . . . . 24.65 110.972 -179.131 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.411 HG23 HD13 ' A' ' 5' ' ' ILE . 10.4 m -64.35 -37.1 79.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 113.378 0.881 . . . . 25.71 113.378 -176.355 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.9 mt -59.47 -36.21 75.54 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 118.495 0.589 . . . . 23.85 112.229 176.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 36.1 ttm105 -76.24 -43.83 40.17 Favored 'General case' 0 C--O 1.239 0.543 0 CA-C-N 115.753 -0.658 . . . . 28.3 111.522 -177.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -96.02 -23.19 16.93 Favored 'General case' 0 C--O 1.245 0.863 0 N-CA-C 116.142 1.904 . . . . 37.61 116.142 -167.812 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -102.32 3.74 38.36 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 118.236 2.68 . . . . 33.3 118.236 -167.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 24.8 m120 44.28 55.48 12.96 Favored Pre-proline 0 N--CA 1.471 0.613 0 CA-C-O 121.681 0.753 . . . . 31.25 112.724 -179.301 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -65.05 147.22 88.67 Favored 'Trans proline' 0 C--N 1.353 0.804 0 O-C-N 122.074 0.513 . . . . 22.89 112.672 -177.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -91.72 -21.26 20.83 Favored 'General case' 0 C--O 1.214 -0.813 0 N-CA-C 113.997 1.11 . . . . 42.13 113.997 174.148 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.1 p -164.0 154.3 2.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.984 0 N-CA-C 106.225 -1.769 . . . . 16.94 106.225 178.616 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 99.5 t -122.39 131.72 72.61 Favored 'Isoleucine or valine' 0 C--O 1.247 0.97 0 N-CA-C 105.298 -2.112 . . . . 15.45 105.298 174.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 56.4 tp -100.55 115.36 29.96 Favored 'General case' 0 C--O 1.252 1.223 0 N-CA-C 106.261 -1.755 . . . . 15.69 106.261 169.863 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.8 tp -116.09 119.39 35.7 Favored 'General case' 0 C--O 1.249 1.047 0 N-CA-C 113.738 1.014 . . . . 16.8 113.738 -170.192 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -56.07 125.38 21.35 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.669 1.188 . . . . 24.83 110.153 174.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.7 tpt -59.21 -27.57 65.86 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.59 0.756 . . . . 25.75 109.03 -178.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -108.74 16.56 22.72 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 112.458 0.54 . . . . 34.99 112.458 -174.534 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -47.97 126.7 11.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.607 -0.27 . . . . 29.07 110.6 -178.031 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.5 p 65.77 26.21 11.3 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.175 1.546 . . . . 34.33 115.175 -178.88 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 80.7 p . . . . . 0 N--CA 1.473 0.705 0 CA-C-N 117.424 0.102 . . . . 38.59 111.243 -176.771 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 N--CA 1.473 0.699 0 CA-C-O 120.659 0.266 . . . . 44.9 110.723 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 63.7 mt-10 -136.81 -135.67 0.14 Allowed 'General case' 0 N--CA 1.447 -0.58 0 C-N-CA 119.344 -0.942 . . . . 42.4 111.5 -178.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -55.25 -43.13 84.14 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 114.689 0.636 . . . . 31.36 114.689 -176.905 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 83.9 mt -65.79 -40.7 92.21 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 119.464 -0.895 . . . . 26.5 111.512 -176.491 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -55.94 -49.76 72.62 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 115.566 -0.743 . . . . 33.14 112.224 173.722 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -67.56 -35.11 78.41 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.082 0.771 . . . . 30.85 113.082 -179.292 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.436 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 14.0 tp -57.82 -44.39 86.37 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-O 122.075 0.941 . . . . 21.57 108.504 174.78 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -67.12 -40.91 86.9 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.439 -0.8 . . . . 37.67 110.471 -173.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 76.2 mm-40 -70.95 -40.18 72.16 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-N 115.615 -0.721 . . . . 30.2 110.128 -174.981 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.98 -46.69 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 119.728 -0.789 . . . . 25.9 110.762 174.365 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' A' ' 69' ' ' LEU . 31.5 mmmt -67.5 -27.19 66.78 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.494 -0.754 . . . . 34.12 111.813 -177.595 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -60.43 -43.58 96.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.913 0.387 . . . . 32.29 111.08 179.409 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -91.57 -35.83 14.03 Favored 'General case' 0 C--O 1.243 0.736 0 N-CA-C 114.006 1.113 . . . . 39.76 114.006 -178.27 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -121.82 76.16 1.26 Allowed 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 122.225 1.012 . . . . 26.35 110.03 -177.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 3.0 mtp180 -58.09 -31.85 67.51 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.228 -0.897 . . . . 45.52 113.281 -168.823 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -100.04 5.67 45.04 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 115.549 1.685 . . . . 33.24 115.549 -177.323 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 32.2 tp -83.88 114.88 56.9 Favored Pre-proline 0 N--CA 1.469 0.487 0 O-C-N 121.919 -0.488 . . . . 21.75 109.851 -179.284 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -62.92 133.32 40.99 Favored 'Trans proline' 0 C--N 1.355 0.878 0 O-C-N 122.125 0.54 . . . . 19.0 111.748 179.497 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 94.5 t -120.6 123.82 71.18 Favored 'Isoleucine or valine' 0 C--O 1.261 1.708 0 O-C-N 124.811 1.319 . . . . 16.92 107.892 175.643 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.21 125.47 64.89 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.823 0 N-CA-C 106.645 -1.613 . . . . 17.86 106.645 178.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.6 mt -81.59 142.8 32.47 Favored 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 110.08 -0.341 . . . . 22.47 110.08 178.908 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.45 112.07 21.72 Favored 'General case' 0 C--O 1.249 1.059 0 N-CA-C 102.723 -3.066 . . . . 21.06 102.723 -178.877 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -127.16 134.57 50.15 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 113.464 0.912 . . . . 20.48 113.464 -165.363 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.74 155.79 32.56 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.603 -0.517 . . . . 23.1 109.603 166.77 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -55.05 -33.59 62.83 Favored 'General case' 0 C--O 1.244 0.767 0 C-N-CA 119.559 -0.856 . . . . 34.6 113.27 172.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.94 -13.85 62.49 Favored 'General case' 0 C--O 1.252 1.197 0 N-CA-C 112.675 0.62 . . . . 26.97 112.675 -179.176 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -112.37 15.73 20.19 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 115.114 1.524 . . . . 28.76 115.114 178.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.3 pt -61.71 -29.06 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 114.449 1.277 . . . . 25.24 114.449 -174.504 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -60.2 -41.65 93.4 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.128 0.49 . . . . 24.77 111.138 173.372 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 74.0 mt -71.03 -32.42 69.17 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.356 0.502 . . . . 24.49 112.356 177.96 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.09 -43.57 91.67 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 120.918 -0.313 . . . . 17.59 110.639 174.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 56.6 t -60.59 -43.25 94.23 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.417 0 N-CA-C 109.221 -0.659 . . . . 17.45 109.221 175.663 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -61.28 -38.21 85.96 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.494 -0.754 . . . . 42.22 110.274 175.998 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -53.95 -46.89 67.88 Favored Glycine 0 N--CA 1.481 1.687 0 C-N-CA 121.106 -0.568 . . . . 17.3 113.832 173.819 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 31.6 mm -57.26 -46.76 85.09 Favored 'Isoleucine or valine' 0 C--O 1.244 0.793 0 CA-C-O 122.478 1.133 . . . . 15.86 108.347 176.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -57.39 -32.08 66.46 Favored 'General case' 0 N--CA 1.489 1.504 0 C-N-CA 119.697 -0.801 . . . . 21.02 111.598 178.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -98.21 9.71 42.32 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.603 -0.726 . . . . 28.27 111.759 -173.279 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 107.75 4.86 34.07 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 116.881 1.512 . . . . 22.02 116.881 165.781 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.65 144.17 38.7 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.481 1.141 . . . . 18.85 111.266 168.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 67.2 m -73.49 -33.16 64.67 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 114.236 1.198 . . . . 21.76 114.236 -178.309 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -171.77 177.1 3.45 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.279 -1.378 . . . . 20.47 107.279 -177.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -143.53 156.91 44.75 Favored 'General case' 0 C--O 1.252 1.233 0 C-N-CA 119.918 -0.713 . . . . 20.1 111.728 168.678 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 64.3 t -127.78 132.56 68.8 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.187 0 N-CA-C 105.476 -2.046 . . . . 17.43 105.476 179.069 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 85.3 t -91.99 146.32 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 N-CA-C 108.818 -0.808 . . . . 25.35 108.818 -176.899 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 59.9 mttt -104.75 142.07 23.87 Favored Pre-proline 0 CA--C 1.547 0.858 0 N-CA-C 107.471 -1.307 . . . . 33.18 107.471 171.422 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_endo -65.67 137.96 34.74 Favored 'Cis proline' 0 C--O 1.242 0.684 0 N-CA-C 109.331 -1.065 . . . . 27.92 109.331 -3.207 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' TRP . . . . . . . . . . . . . 42.2 p90 -91.49 166.28 12.94 Favored 'General case' 0 C--O 1.243 0.758 0 N-CA-C 113.26 0.837 . . . . 22.9 113.26 -175.476 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -99.52 131.79 45.29 Favored 'General case' 0 C--O 1.248 0.993 0 N-CA-C 105.215 -2.143 . . . . 31.43 105.215 168.014 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -60.04 -45.82 91.55 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 113.406 0.891 . . . . 24.53 113.406 -172.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' O ' ' HG3' ' A' ' 116' ' ' GLU . 22.6 tp60 -68.99 -40.54 78.7 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 119.11 -1.036 . . . . 46.41 113.281 179.403 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' LYS . . . . . . . . . . . . . 68.4 tttt -59.55 -40.76 88.33 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 112.236 0.458 . . . . 36.63 112.236 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.8 tp -60.91 -49.39 77.67 Favored 'General case' 0 CA--C 1.511 -0.523 0 N-CA-C 109.274 -0.639 . . . . 24.29 109.274 179.158 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 43.9 tp -60.78 -47.18 87.49 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 120.533 -0.467 . . . . 25.15 109.858 -178.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 112' ' ' GLN . 71.9 mt-10 -62.13 -42.98 99.78 Favored 'General case' 0 CA--C 1.505 -0.777 0 CA-C-N 115.224 -0.898 . . . . 41.72 113.16 -175.399 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 96.5 m -59.42 -42.06 90.96 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 123.9 0.75 . . . . 20.97 110.372 176.108 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 55.3 mt -73.42 -43.61 60.05 Favored 'General case' 0 C--O 1.209 -1.04 0 O-C-N 123.745 0.653 . . . . 20.74 110.116 -175.499 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.512 ' CD2' HD11 ' A' ' 1' ' ' LEU . 67.4 mt -58.83 -46.94 86.5 Favored 'General case' 0 C--O 1.251 1.174 0 C-N-CA 119.446 -0.902 . . . . 27.99 111.372 174.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -59.13 -43.21 91.96 Favored 'General case' 0 C--O 1.219 -0.548 0 C-N-CA 120.399 -0.52 . . . . 25.9 111.848 177.956 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.17 79.8 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 120.068 -0.653 . . . . 22.29 111.55 -178.699 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -83.77 -9.49 58.77 Favored 'General case' 0 C--O 1.246 0.875 0 C-N-CA 124.584 1.154 . . . . 30.32 111.275 -178.685 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 44.6 m -119.86 41.98 3.03 Favored 'General case' 0 C--O 1.252 1.22 0 C-N-CA 123.686 0.794 . . . . 35.22 112.138 -177.161 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -91.84 150.83 20.86 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 118.223 -1.391 . . . . 46.84 110.397 171.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.762 0 O-C-N 123.598 0.561 . . . . 43.57 111.891 179.029 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 139' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 140' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 141' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 142' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 143' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 144' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 145' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 146' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 147' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 148' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 149' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 150' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 151' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 152' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 153' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 154' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 155' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 156' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 157' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 158' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 159' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 160' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 161' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 162' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 163' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 164' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 165' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 166' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 167' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 168' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_