data_5cul_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 5cul _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 ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.499 2.001 0 CA-C-O 121.891 0.853 . . . . 100.08 113.125 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.74 -17.04 56.46 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 105.578 -2.008 . . . . 111.79 105.578 -179.695 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -81.14 -24.52 37.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 112.463 -2.153 . . . . 108.7 109.605 -178.909 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -69.94 -41.35 74.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.36 0.874 . . . . 128.63 113.36 -175.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -59.67 -47.36 85.95 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.314 -0.624 . . . . 118.38 109.314 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -58.17 -45.67 87.1 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.827 -1.079 . . . . 123.08 112.018 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -60.65 -47.89 84.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.948 0.88 . . . . 64.32 111.912 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -58.97 -41.63 87.98 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 114.764 -1.107 . . . . 98.57 108.894 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.84 -30.56 68.08 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.05 0.844 . . . . 100.47 110.503 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.64 34.82 0.54 Allowed 'General case' 0 C--O 1.208 -1.091 0 CA-C-O 122.341 1.067 . . . . 68.71 111.927 -174.618 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -109.18 64.42 0.61 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.278 -2.119 . . . . 75.37 105.278 168.191 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -147.81 101.91 3.36 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 114.898 -1.046 . . . . 95.88 111.259 175.23 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.7 p -62.3 -29.54 70.51 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.893 -1.049 . . . . 92.08 113.258 -167.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -131.69 149.49 52.47 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 119.994 -0.682 . . . . 81.34 109.479 -165.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -66.23 -43.8 85.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.031 -1.1 . . . . 46.1 108.031 165.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -54.01 -35.11 61.56 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.297 -0.865 . . . . 43.58 113.051 175.74 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.78 -45.63 91.7 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.551 -0.75 . . . . 47.65 110.01 177.917 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.94 -39.59 79.45 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.743 0.652 . . . . 61.22 110.716 -177.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.42 -37.99 80.14 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 124.472 1.107 . . . . 50.79 110.642 176.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' ARG . . . . . 0.455 ' NH1' ' OE1' ' B' ' 86' ' ' GLU . 63.9 mtp85 -74.19 -29.91 61.97 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.285 0.846 . . . . 85.33 113.285 178.996 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -59.27 -23.84 62.73 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.057 0.762 . . . . 86.13 113.057 170.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -81.82 146.11 30.06 Favored 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 113.548 0.944 . . . . 44.92 113.548 -168.927 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 m -89.76 -29.71 18.5 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 115.209 -0.905 . . . . 43.67 108.918 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.05 146.72 4.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.605 0 CA-C-N 115.127 -0.942 . . . . 42.23 110.035 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mm -107.69 127.14 63.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 106.56 -1.644 . . . . 41.71 106.56 176.547 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.7 t -97.18 123.26 49.44 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 N-CA-C 108.16 -1.052 . . . . 39.88 108.16 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.32 168.2 11.52 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 116.314 -0.403 . . . . 37.78 110.395 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.61 . . . . 52.29 111.036 172.218 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo . . . . . 0 CA--C 1.538 0.697 0 N-CA-C 110.953 -0.441 . . . . 113.22 110.953 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.2 m -32.15 -52.04 0.26 Allowed 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 113.968 1.099 . . . . 84.35 113.968 -158.744 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -119.33 144.86 46.61 Favored 'General case' 0 C--O 1.21 -1.011 0 O-C-N 123.883 0.74 . . . . 67.29 111.533 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 t -141.99 137.53 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.511 -1.663 . . . . 47.28 106.511 -175.575 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.16 111.18 5.08 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.376 -0.829 . . . . 41.34 109.767 176.436 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ILE . . . . . . . . . . . . . 33.1 mm -112.22 131.05 64.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.324 1.015 . . . . 39.73 110.353 177.221 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.7 130.31 10.19 Favored Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 107.569 -2.212 . . . . 38.01 107.569 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 25.4 mm -120.14 134.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.258 0.622 . . . . 38.39 111.174 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ARG . . . . . 0.572 ' NH1' ' OE1' ' B' ' 61' ' ' GLU . 4.2 ttm-85 -118.41 128.75 54.92 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.406 -0.815 . . . . 70.75 111.786 174.714 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -148.13 107.32 3.89 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.166 -0.925 . . . . 83.8 109.773 167.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -112.03 112.73 24.57 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.511 -1.292 . . . . 117.5 107.511 169.153 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -55.09 110.61 0.7 Allowed 'General case' 0 C--N 1.333 -0.131 0 O-C-N 124.499 1.124 . . . . 104.85 112.071 -172.867 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.1 -36.96 3.14 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 116.332 -0.395 . . . . 88.85 113.283 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLU . . . . . 0.572 ' OE1' ' NH1' ' B' ' 56' ' ' ARG . 1.8 tt0 -86.88 -42.18 13.41 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.245 0.545 . . . . 88.22 111.7 175.087 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 23.3 p -107.86 126.47 29.74 Favored Pre-proline 0 C--O 1.242 0.684 0 CA-C-N 115.439 -0.8 . . . . 80.0 108.942 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.66 -33.53 10.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 121.522 1.481 . . . . 77.12 111.234 169.141 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' LEU . . . . . . . . . . . . . 35.6 mt -131.76 148.12 68.68 Favored Pre-proline 0 N--CA 1.435 -1.218 0 O-C-N 123.849 0.718 . . . . 65.38 110.267 174.874 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.48 139.18 38.16 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.679 1.586 . . . . 54.47 111.155 169.027 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.98 136.7 49.73 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.739 -0.838 . . . . 59.52 108.739 -170.625 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.16 129.52 36.8 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.036 0 O-C-N 123.249 0.343 . . . . 33.11 111.411 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 79.8 p -102.8 -23.8 13.76 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 124.206 0.941 . . . . 38.92 111.816 -176.023 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.03 148.58 5.01 Favored 'General case' 0 C--O 1.19 -2.062 0 CA-C-N 115.58 -0.737 . . . . 40.18 111.883 -175.647 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -136.67 115.71 12.4 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.486 -0.779 . . . . 51.78 110.716 175.658 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -138.69 147.71 43.11 Favored 'General case' 0 CA--C 1.509 -0.608 0 C-N-CA 120.498 -0.481 . . . . 43.73 111.4 -176.267 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -127.0 160.14 31.98 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 108.686 -0.857 . . . . 49.21 108.686 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 59.95 -131.73 0.92 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 114.559 -1.2 . . . . 70.96 111.218 174.246 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.1 82.56 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 123.483 0.489 . . . . 45.47 112.046 -172.599 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 18.0 mt -65.68 -32.04 73.38 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 112.116 0.414 . . . . 40.88 112.116 178.938 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.45 94.21 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.799 0.687 . . . . 46.45 111.474 175.489 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.2 mt -70.97 -34.37 71.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.512 0.93 . . . . 49.59 113.512 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -64.4 -40.95 96.79 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 114.992 -1.004 . . . . 60.36 110.175 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 23.6 t -57.99 -42.67 83.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.981 0 CA-C-N 115.405 -0.816 . . . . 42.94 112.429 174.515 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -68.52 -38.61 81.02 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 112.422 0.527 . . . . 102.19 112.422 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -69.31 -40.42 77.66 Favored 'General case' 0 C--O 1.203 -1.389 0 C-N-CA 119.825 -0.75 . . . . 109.07 111.68 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 54.6 mt -63.43 -39.08 83.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 O-C-N 122.032 -0.417 . . . . 41.42 111.071 175.851 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.76 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.364 0.876 . . . . 48.35 113.364 179.044 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.7 -44.24 81.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 119.605 -0.236 . . . . 101.69 110.434 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -78.09 -13.32 59.91 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.817 0.698 . . . . 63.96 111.601 -172.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' GLU . . . . . 0.455 ' OE1' ' NH1' ' A' ' 39' ' ' ARG . 78.0 mm-40 -109.45 -2.17 17.88 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.355 0.502 . . . . 76.64 112.355 -177.742 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.3 22.7 75.52 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-O 119.415 -0.659 . . . . 45.42 112.957 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -91.09 119.65 68.76 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 109.356 -0.609 . . . . 42.57 109.356 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.02 133.54 38.96 Favored 'Trans proline' 0 C--O 1.212 -0.807 0 C-N-CA 121.414 1.41 . . . . 33.96 111.272 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 97.2 t -109.98 110.43 32.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.753 0.787 . . . . 41.57 110.524 175.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.94 137.96 44.02 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.152 -0.931 . . . . 36.99 109.666 -176.888 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -89.88 109.73 20.72 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 121.614 0.721 . . . . 92.39 112.2 174.456 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' ARG . . . . . . . . . . . . . 81.4 mmt-85 -134.48 93.38 3.04 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 106.832 -1.544 . . . . 43.91 106.832 174.577 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 10.3 mt -68.56 -46.85 35.91 Favored Pre-proline 0 C--O 1.246 0.879 0 N-CA-C 115.857 1.799 . . . . 45.24 115.857 -168.801 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -67.39 -35.35 23.94 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 115.723 -2.385 . . . . 51.31 112.125 178.33 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.43 -46.1 70.78 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 123.775 0.672 . . . . 44.8 112.082 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.13 76.62 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 110.121 -0.326 . . . . 56.12 110.121 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -57.76 -47.84 81.35 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 122.033 0.92 . . . . 79.33 112.189 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.95 82.17 Favored 'General case' 0 C--N 1.316 -0.872 0 O-C-N 121.746 -0.596 . . . . 44.32 110.983 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.59 -43.32 84.56 Favored 'General case' 0 C--O 1.203 -1.367 0 O-C-N 123.575 0.547 . . . . 44.11 111.43 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 43.3 tp -55.22 -47.52 75.22 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 109.663 -0.495 . . . . 42.54 109.663 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 ttp85 -74.45 -46.88 36.98 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.728 -0.215 . . . . 94.19 111.324 -172.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -96.32 -40.16 9.27 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.614 1.338 . . . . 72.88 114.614 -170.592 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.07 142.13 45.81 Favored Glycine 0 N--CA 1.483 1.788 0 N-CA-C 115.746 1.058 . . . . 53.33 115.746 -175.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.71 131.98 51.25 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 120.767 -0.373 . . . . 55.1 111.533 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 78.3 t -53.02 136.92 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 113.261 0.837 . . . . 54.1 113.261 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.05 17.61 10.72 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.752 1.389 . . . . 89.63 114.752 -178.606 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -123.9 156.36 36.41 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 109.12 -0.696 . . . . 72.94 109.12 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -64.98 155.45 34.49 Favored 'General case' 0 C--O 1.246 0.898 0 CA-C-N 115.355 -0.839 . . . . 70.97 110.627 177.898 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 42.4 pt -66.12 152.82 93.27 Favored Pre-proline 0 C--O 1.245 0.861 0 CA-C-N 115.031 -0.986 . . . . 56.52 110.436 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -63.0 152.32 80.05 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 O-C-N 123.232 1.122 . . . . 45.28 110.433 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.87 74.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.702 0.626 . . . . 59.27 109.845 178.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.99 -25.95 64.06 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.872 0.693 . . . . 78.3 112.872 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 55.8 mt -109.18 16.1 22.73 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.643 -0.708 . . . . 47.24 112.664 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 7.3 mt -69.6 -41.7 80.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.42 0.629 . . . . 56.37 112.113 174.157 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.18 -50.26 73.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.169 -0.469 . . . . 49.58 111.35 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.96 -31.65 66.51 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 116.212 -0.449 . . . . 45.92 111.552 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 27.3 m -74.25 -35.12 63.81 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.813 1.292 . . . . 50.1 111.271 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.24 -43.58 95.96 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-N 115.141 -0.936 . . . . 46.62 110.619 174.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -58.09 -41.33 83.25 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 123.645 0.778 . . . . 55.02 111.891 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.19 -53.81 42.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 121.656 0.741 . . . . 45.66 111.172 178.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.36 -40.55 86.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.629 -1.168 . . . . 40.63 111.928 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' ARG . . . . . . . . . . . . . 3.3 ttp180 -64.78 -35.38 80.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.986 -1.006 . . . . 48.63 110.091 -176.764 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -65.92 -26.28 67.53 Favored 'General case' 0 C--O 1.248 1.003 0 O-C-N 123.714 0.634 . . . . 41.75 111.987 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 46.8 mt -88.26 -11.52 46.32 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.52 1.674 . . . . 50.32 115.52 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 112.618 0.599 . . . . 84.07 112.618 -178.578 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.499 2.001 0 CA-C-O 121.891 0.853 . . . . 100.08 113.125 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -78.74 -17.04 56.46 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 105.578 -2.008 . . . . 111.79000000000001 105.578 -179.695 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -81.14 -24.52 37.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 112.463 -2.153 . . . . 108.7 109.605 -178.909 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -69.94 -41.35 74.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.36 0.874 . . . . 128.63 113.36 -175.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -59.67 -47.36 85.95 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.314 -0.624 . . . . 118.38 109.314 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -58.17 -45.67 87.1 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.827 -1.079 . . . . 123.08 112.018 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -60.65 -47.89 84.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.948 0.88 . . . . 64.319999999999993 111.912 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -58.97 -41.63 87.98 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 114.764 -1.107 . . . . 98.569999999999993 108.894 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.84 -30.56 68.08 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.05 0.844 . . . . 100.47 110.503 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -84.64 34.82 0.54 Allowed 'General case' 0 C--O 1.208 -1.091 0 CA-C-O 122.341 1.067 . . . . 68.709999999999994 111.927 -174.618 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -109.18 64.42 0.61 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.278 -2.119 . . . . 75.370000000000005 105.278 168.191 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -147.81 101.91 3.36 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 114.898 -1.046 . . . . 95.879999999999995 111.259 175.23 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.7 p -62.3 -29.54 70.51 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.893 -1.049 . . . . 92.079999999999998 113.258 -167.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 33' ' ' ASN . . . . . 0.563 ' HB3' ' H ' ' A' ' 36' ' ' ALA . 4.7 t-20 -131.69 149.49 52.47 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 119.994 -0.682 . . . . 81.340000000000003 109.479 -165.344 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -66.23 -43.8 85.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.031 -1.1 . . . . 46.100000000000001 108.031 165.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -54.01 -35.11 61.56 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.297 -0.865 . . . . 43.579999999999998 113.051 175.74 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' H ' ' HB3' ' A' ' 33' ' ' ASN . . . -59.78 -45.63 91.7 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.551 -0.75 . . . . 47.649999999999999 110.01 177.917 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.94 -39.59 79.45 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.743 0.652 . . . . 61.219999999999999 110.716 -177.644 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.42 -37.99 80.14 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 124.472 1.107 . . . . 50.789999999999999 110.642 176.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -74.19 -29.91 61.97 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.285 0.846 . . . . 85.329999999999998 113.285 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -59.27 -23.84 62.73 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.057 0.762 . . . . 86.129999999999995 113.057 170.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -81.82 146.11 30.06 Favored 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 113.548 0.944 . . . . 44.920000000000002 113.548 -168.927 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 m -89.76 -29.71 18.5 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 115.209 -0.905 . . . . 43.670000000000002 108.918 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.05 146.72 4.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.605 0 CA-C-N 115.127 -0.942 . . . . 42.229999999999997 110.035 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mm -107.69 127.14 63.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 106.56 -1.644 . . . . 41.710000000000001 106.56 176.547 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.7 t -97.18 123.26 49.44 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 N-CA-C 108.16 -1.052 . . . . 39.880000000000003 108.16 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.32 168.2 11.52 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 116.314 -0.403 . . . . 37.780000000000001 110.395 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.61 . . . . 52.289999999999999 111.036 172.218 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo . . . . . 0 CA--C 1.538 0.697 0 N-CA-C 110.953 -0.441 . . . . 113.22 110.953 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.2 m -32.15 -52.04 0.26 Allowed 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 113.968 1.099 . . . . 84.349999999999994 113.968 -158.744 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -119.33 144.86 46.61 Favored 'General case' 0 C--O 1.21 -1.011 0 O-C-N 123.883 0.74 . . . . 67.290000000000006 111.533 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 t -141.99 137.53 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.511 -1.663 . . . . 47.280000000000001 106.511 -175.575 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.16 111.18 5.08 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.376 -0.829 . . . . 41.340000000000003 109.767 176.436 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ILE . . . . . 0.417 HD12 ' HG2' ' B' ' 70' ' ' LYS . 33.1 mm -112.22 131.05 64.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.324 1.015 . . . . 39.729999999999997 110.353 177.221 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.7 130.31 10.19 Favored Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 107.569 -2.212 . . . . 38.009999999999998 107.569 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 25.4 mm -120.14 134.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.258 0.622 . . . . 38.390000000000001 111.174 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ARG . . . . . 0.572 ' NH1' ' OE1' ' B' ' 61' ' ' GLU . 4.2 ttm-85 -118.41 128.75 54.92 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.406 -0.815 . . . . 70.75 111.786 174.714 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -148.13 107.32 3.89 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.166 -0.925 . . . . 83.799999999999997 109.773 167.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -112.03 112.73 24.57 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.511 -1.292 . . . . 117.5 107.511 169.153 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -55.09 110.61 0.7 Allowed 'General case' 0 C--N 1.333 -0.131 0 O-C-N 124.499 1.124 . . . . 104.84999999999999 112.071 -172.867 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.1 -36.96 3.14 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 116.332 -0.395 . . . . 88.849999999999994 113.283 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLU . . . . . 0.572 ' OE1' ' NH1' ' B' ' 56' ' ' ARG . 1.8 tt0 -86.88 -42.18 13.41 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.245 0.545 . . . . 88.219999999999999 111.7 175.087 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 23.3 p -107.86 126.47 29.74 Favored Pre-proline 0 C--O 1.242 0.684 0 CA-C-N 115.439 -0.8 . . . . 80.0 108.942 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.66 -33.53 10.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 121.522 1.481 . . . . 77.120000000000005 111.234 169.141 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 64' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' B' ' 109' ' ' TYR . 35.6 mt -131.76 148.12 68.68 Favored Pre-proline 0 N--CA 1.435 -1.218 0 O-C-N 123.849 0.718 . . . . 65.379999999999995 110.267 174.874 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.48 139.18 38.16 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.679 1.586 . . . . 54.469999999999999 111.155 169.027 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.98 136.7 49.73 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.739 -0.838 . . . . 59.520000000000003 108.739 -170.625 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.16 129.52 36.8 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.036 0 O-C-N 123.249 0.343 . . . . 33.109999999999999 111.411 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 79.8 p -102.8 -23.8 13.76 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 124.206 0.941 . . . . 38.920000000000002 111.816 -176.023 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.03 148.58 5.01 Favored 'General case' 0 C--O 1.19 -2.062 0 CA-C-N 115.58 -0.737 . . . . 40.18 111.883 -175.647 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 70' ' ' LYS . . . . . 0.417 ' HG2' HD12 ' B' ' 53' ' ' ILE . 52.8 mtpt -136.67 115.71 12.4 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.486 -0.779 . . . . 51.780000000000001 110.716 175.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -138.69 147.71 43.11 Favored 'General case' 0 CA--C 1.509 -0.608 0 C-N-CA 120.498 -0.481 . . . . 43.729999999999997 111.4 -176.267 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -127.0 160.14 31.98 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 108.686 -0.857 . . . . 49.210000000000001 108.686 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 59.95 -131.73 0.92 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 114.559 -1.2 . . . . 70.959999999999994 111.218 174.246 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.1 82.56 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 123.483 0.489 . . . . 45.469999999999999 112.046 -172.599 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 75' ' ' LEU . 18.0 mt -65.68 -32.04 73.38 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 112.116 0.414 . . . . 40.880000000000003 112.116 178.938 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.45 94.21 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.799 0.687 . . . . 46.450000000000003 111.474 175.489 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.2 mt -70.97 -34.37 71.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.512 0.93 . . . . 49.590000000000003 113.512 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -64.4 -40.95 96.79 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 114.992 -1.004 . . . . 60.359999999999999 110.175 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 23.6 t -57.99 -42.67 83.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.981 0 CA-C-N 115.405 -0.816 . . . . 42.939999999999998 112.429 174.515 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -68.52 -38.61 81.02 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 112.422 0.527 . . . . 102.19 112.422 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -69.31 -40.42 77.66 Favored 'General case' 0 C--O 1.203 -1.389 0 C-N-CA 119.825 -0.75 . . . . 109.06999999999999 111.68 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 54.6 mt -63.43 -39.08 83.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 O-C-N 122.032 -0.417 . . . . 41.420000000000002 111.071 175.851 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.76 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.364 0.876 . . . . 48.350000000000001 113.364 179.044 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.7 -44.24 81.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 119.605 -0.236 . . . . 101.69 110.434 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -78.09 -13.32 59.91 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.817 0.698 . . . . 63.960000000000001 111.601 -172.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -109.45 -2.17 17.88 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.355 0.502 . . . . 76.640000000000001 112.355 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.3 22.7 75.52 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-O 119.415 -0.659 . . . . 45.420000000000002 112.957 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -91.09 119.65 68.76 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 109.356 -0.609 . . . . 42.57 109.356 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.02 133.54 38.96 Favored 'Trans proline' 0 C--O 1.212 -0.807 0 C-N-CA 121.414 1.41 . . . . 33.960000000000001 111.272 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 97.2 t -109.98 110.43 32.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.753 0.787 . . . . 41.57 110.524 175.117 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.94 137.96 44.02 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.152 -0.931 . . . . 36.990000000000002 109.666 -176.888 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -89.88 109.73 20.72 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 121.614 0.721 . . . . 92.390000000000001 112.2 174.456 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 93' ' ' ARG . . . . . 0.525 ' HG3' HG22 ' B' ' 121' ' ' VAL . 81.4 mmt-85 -134.48 93.38 3.04 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 106.832 -1.544 . . . . 43.909999999999997 106.832 174.577 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 10.3 mt -68.56 -46.85 35.91 Favored Pre-proline 0 C--O 1.246 0.879 0 N-CA-C 115.857 1.799 . . . . 45.240000000000002 115.857 -168.801 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 95' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' B' ' 204' ' ' HOH . 23.5 Cg_exo -67.39 -35.35 23.94 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 115.723 -2.385 . . . . 51.310000000000002 112.125 178.33 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.43 -46.1 70.78 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 123.775 0.672 . . . . 44.799999999999997 112.082 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.13 76.62 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 110.121 -0.326 . . . . 56.119999999999997 110.121 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -57.76 -47.84 81.35 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 122.033 0.92 . . . . 79.329999999999998 112.189 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.95 82.17 Favored 'General case' 0 C--N 1.316 -0.872 0 O-C-N 121.746 -0.596 . . . . 44.32 110.983 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.59 -43.32 84.56 Favored 'General case' 0 C--O 1.203 -1.367 0 O-C-N 123.575 0.547 . . . . 44.109999999999999 111.43 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 43.3 tp -55.22 -47.52 75.22 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 109.663 -0.495 . . . . 42.539999999999999 109.663 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 ttp85 -74.45 -46.88 36.98 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.728 -0.215 . . . . 94.189999999999998 111.324 -172.764 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -96.32 -40.16 9.27 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.614 1.338 . . . . 72.879999999999995 114.614 -170.592 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.07 142.13 45.81 Favored Glycine 0 N--CA 1.483 1.788 0 N-CA-C 115.746 1.058 . . . . 53.329999999999998 115.746 -175.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.71 131.98 51.25 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 120.767 -0.373 . . . . 55.100000000000001 111.533 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 78.3 t -53.02 136.92 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 113.261 0.837 . . . . 54.100000000000001 113.261 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.05 17.61 10.72 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.752 1.389 . . . . 89.629999999999995 114.752 -178.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -123.9 156.36 36.41 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 109.12 -0.696 . . . . 72.939999999999998 109.12 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 109' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' B' ' 64' ' ' LEU . 61.3 m-85 -64.98 155.45 34.49 Favored 'General case' 0 C--O 1.246 0.898 0 CA-C-N 115.355 -0.839 . . . . 70.969999999999999 110.627 177.898 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 42.4 pt -66.12 152.82 93.27 Favored Pre-proline 0 C--O 1.245 0.861 0 CA-C-N 115.031 -0.986 . . . . 56.520000000000003 110.436 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 111' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -63.0 152.32 80.05 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 O-C-N 123.232 1.122 . . . . 45.280000000000001 110.433 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.87 74.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.702 0.626 . . . . 59.270000000000003 109.845 178.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.99 -25.95 64.06 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.872 0.693 . . . . 78.299999999999997 112.872 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 55.8 mt -109.18 16.1 22.73 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.643 -0.708 . . . . 47.240000000000002 112.664 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 7.3 mt -69.6 -41.7 80.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.42 0.629 . . . . 56.369999999999997 112.113 174.157 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.18 -50.26 73.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.169 -0.469 . . . . 49.579999999999998 111.35 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.96 -31.65 66.51 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 116.212 -0.449 . . . . 45.920000000000002 111.552 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 27.3 m -74.25 -35.12 63.81 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.813 1.292 . . . . 50.100000000000001 111.271 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 119' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' B' ' 123' ' ' ARG . . . -60.24 -43.58 95.96 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-N 115.141 -0.936 . . . . 46.619999999999997 110.619 174.573 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -58.09 -41.33 83.25 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 123.645 0.778 . . . . 55.020000000000003 111.891 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 121' ' ' VAL . . . . . 0.525 HG22 ' HG3' ' B' ' 93' ' ' ARG . 98.2 t -62.19 -53.81 42.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 121.656 0.741 . . . . 45.659999999999997 111.172 178.975 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.36 -40.55 86.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.629 -1.168 . . . . 40.630000000000003 111.928 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 123' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' B' ' 119' ' ' ALA . 3.3 ttp180 -64.78 -35.38 80.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.986 -1.006 . . . . 48.630000000000003 110.091 -176.764 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 124' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -65.92 -26.28 67.53 Favored 'General case' 0 C--O 1.248 1.003 0 O-C-N 123.714 0.634 . . . . 41.75 111.987 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 46.8 mt -88.26 -11.52 46.32 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.52 1.674 . . . . 50.32 115.52 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 112.618 0.599 . . . . 84.069999999999993 112.618 -178.578 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 204' ' ' HOH . . . . . 0.401 ' O ' ' HD2' ' B' ' 95' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.499 2.001 0 CA-C-O 121.891 0.853 . . . . 100.08 113.125 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.534 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -78.74 -17.04 56.46 Favored 'General case' 0 C--O 1.248 0.98 0 N-CA-C 105.578 -2.008 . . . . 111.79000000000001 105.578 -179.695 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -81.14 -24.52 37.55 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 112.463 -2.153 . . . . 108.7 109.605 -178.909 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 58.2 ttt180 -69.94 -41.35 74.68 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 113.36 0.874 . . . . 128.63 113.36 -175.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 19.5 tt0 -59.67 -47.36 85.95 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.314 -0.624 . . . . 118.38 109.314 176.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -58.17 -45.67 87.1 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 114.827 -1.079 . . . . 123.08 112.018 -176.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -60.65 -47.89 84.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.948 0.88 . . . . 64.319999999999993 111.912 176.128 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.0 tp60 -58.97 -41.63 87.98 Favored 'General case' 0 CA--C 1.503 -0.863 0 CA-C-N 114.764 -1.107 . . . . 98.569999999999993 108.894 179.479 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -69.84 -30.56 68.08 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 124.05 0.844 . . . . 100.47 110.503 -178.208 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -84.64 34.82 0.54 Allowed 'General case' 0 C--O 1.208 -1.091 0 CA-C-O 122.341 1.067 . . . . 68.709999999999994 111.927 -174.618 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.7 mm-40 -109.18 64.42 0.61 Allowed 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.278 -2.119 . . . . 75.370000000000005 105.278 168.191 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 m -147.81 101.91 3.36 Favored 'General case' 0 C--O 1.251 1.181 0 CA-C-N 114.898 -1.046 . . . . 95.879999999999995 111.259 175.23 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.7 p -62.3 -29.54 70.51 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 114.893 -1.049 . . . . 92.079999999999998 113.258 -167.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.563 ' HB3' ' H ' ' A' ' 36' ' ' ALA . 4.7 t-20 -131.69 149.49 52.47 Favored 'General case' 0 N--CA 1.441 -0.901 0 C-N-CA 119.994 -0.682 . . . . 81.340000000000003 109.479 -165.344 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 62.3 tp -66.23 -43.8 85.59 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.031 -1.1 . . . . 46.100000000000001 108.031 165.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.4 ttm-85 -54.01 -35.11 61.56 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 115.297 -0.865 . . . . 43.579999999999998 113.051 175.74 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.563 ' H ' ' HB3' ' A' ' 33' ' ' ASN . . . -59.78 -45.63 91.7 Favored 'General case' 0 N--CA 1.432 -1.327 0 CA-C-N 115.551 -0.75 . . . . 47.649999999999999 110.01 177.917 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -68.94 -39.59 79.45 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 123.743 0.652 . . . . 61.219999999999999 110.716 -177.644 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.42 -37.99 80.14 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 124.472 1.107 . . . . 50.789999999999999 110.642 176.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.9 mtp85 -74.19 -29.91 61.97 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 113.285 0.846 . . . . 85.329999999999998 113.285 178.996 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -59.27 -23.84 62.73 Favored 'General case' 0 CA--C 1.549 0.906 0 N-CA-C 113.057 0.762 . . . . 86.129999999999995 113.057 170.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.8 m -81.82 146.11 30.06 Favored 'General case' 0 C--O 1.224 -0.264 0 N-CA-C 113.548 0.944 . . . . 44.920000000000002 113.548 -168.927 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 m -89.76 -29.71 18.5 Favored 'General case' 0 C--O 1.244 0.811 0 CA-C-N 115.209 -0.905 . . . . 43.670000000000002 108.918 175.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.05 146.72 4.16 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.605 0 CA-C-N 115.127 -0.942 . . . . 42.229999999999997 110.035 -176.435 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mm -107.69 127.14 63.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 106.56 -1.644 . . . . 41.710000000000001 106.56 176.547 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 39.7 t -97.18 123.26 49.44 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.705 0 N-CA-C 108.16 -1.052 . . . . 39.880000000000003 108.16 174.662 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.32 168.2 11.52 Favored 'General case' 0 N--CA 1.425 -1.72 0 CA-C-N 116.314 -0.403 . . . . 37.780000000000001 110.395 179.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.2 p-10 . . . . . 0 C--N 1.325 -0.46 0 CA-C-N 115.857 -0.61 . . . . 52.289999999999999 111.036 172.218 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo . . . . . 0 CA--C 1.538 0.697 0 N-CA-C 110.953 -0.441 . . . . 113.22 110.953 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 47.2 m -32.15 -52.04 0.26 Allowed 'General case' 0 CA--C 1.518 -0.288 0 N-CA-C 113.968 1.099 . . . . 84.349999999999994 113.968 -158.744 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -119.33 144.86 46.61 Favored 'General case' 0 C--O 1.21 -1.011 0 O-C-N 123.883 0.74 . . . . 67.290000000000006 111.533 179.188 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' VAL . . . . . . . . . . . . . 13.7 t -141.99 137.53 30.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 N-CA-C 106.511 -1.663 . . . . 47.280000000000001 106.511 -175.575 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ALA . . . . . . . . . . . . . . . -147.16 111.18 5.08 Favored 'General case' 0 C--O 1.21 -1.017 0 CA-C-N 115.376 -0.829 . . . . 41.340000000000003 109.767 176.436 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ILE . . . . . 0.417 HD12 ' HG2' ' B' ' 70' ' ' LYS . 33.1 mm -112.22 131.05 64.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 O-C-N 124.324 1.015 . . . . 39.729999999999997 110.353 177.221 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . -97.7 130.31 10.19 Favored Glycine 0 N--CA 1.425 -2.083 0 N-CA-C 107.569 -2.212 . . . . 38.009999999999998 107.569 -177.535 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' ILE . . . . . . . . . . . . . 25.4 mm -120.14 134.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.258 0.622 . . . . 38.390000000000001 111.174 178.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ARG . . . . . 0.572 ' NH1' ' OE1' ' B' ' 61' ' ' GLU . 4.2 ttm-85 -118.41 128.75 54.92 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-N 115.406 -0.815 . . . . 70.75 111.786 174.714 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -148.13 107.32 3.89 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.166 -0.925 . . . . 83.799999999999997 109.773 167.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ARG . . . . . . . . . . . . . 2.8 mtm105 -112.03 112.73 24.57 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.511 -1.292 . . . . 117.5 107.511 169.153 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -55.09 110.61 0.7 Allowed 'General case' 0 C--N 1.333 -0.131 0 O-C-N 124.499 1.124 . . . . 104.84999999999999 112.071 -172.867 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' GLY . . . . . . . . . . . . . . . 121.1 -36.96 3.14 Favored Glycine 0 N--CA 1.469 0.842 0 CA-C-N 116.332 -0.395 . . . . 88.849999999999994 113.283 -177.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLU . . . . . 0.572 ' OE1' ' NH1' ' B' ' 56' ' ' ARG . 1.8 tt0 -86.88 -42.18 13.41 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.245 0.545 . . . . 88.219999999999999 111.7 175.087 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 23.3 p -107.86 126.47 29.74 Favored Pre-proline 0 C--O 1.242 0.684 0 CA-C-N 115.439 -0.8 . . . . 80.0 108.942 179.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -71.66 -33.53 10.36 Favored 'Trans proline' 0 C--N 1.348 0.5 0 C-N-CA 121.522 1.481 . . . . 77.120000000000005 111.234 169.141 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' B' ' 109' ' ' TYR . 35.6 mt -131.76 148.12 68.68 Favored Pre-proline 0 N--CA 1.435 -1.218 0 O-C-N 123.849 0.718 . . . . 65.379999999999995 110.267 174.874 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.48 139.18 38.16 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 121.679 1.586 . . . . 54.469999999999999 111.155 169.027 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.98 136.7 49.73 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 108.739 -0.838 . . . . 59.520000000000003 108.739 -170.625 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' VAL . . . . . . . . . . . . . 97.0 t -75.16 129.52 36.8 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.036 0 O-C-N 123.249 0.343 . . . . 33.109999999999999 111.411 -179.586 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' THR . . . . . . . . . . . . . 79.8 p -102.8 -23.8 13.76 Favored 'General case' 0 C--O 1.249 1.063 0 O-C-N 124.206 0.941 . . . . 38.920000000000002 111.816 -176.023 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.03 148.58 5.01 Favored 'General case' 0 C--O 1.19 -2.062 0 CA-C-N 115.58 -0.737 . . . . 40.18 111.883 -175.647 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' LYS . . . . . 0.417 ' HG2' HD12 ' B' ' 53' ' ' ILE . 52.8 mtpt -136.67 115.71 12.4 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.486 -0.779 . . . . 51.780000000000001 110.716 175.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -138.69 147.71 43.11 Favored 'General case' 0 CA--C 1.509 -0.608 0 C-N-CA 120.498 -0.481 . . . . 43.729999999999997 111.4 -176.267 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' THR . . . . . . . . . . . . . 19.9 p -127.0 160.14 31.98 Favored 'General case' 0 N--CA 1.435 -1.176 0 N-CA-C 108.686 -0.857 . . . . 49.210000000000001 108.686 177.695 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 59.95 -131.73 0.92 Allowed 'General case' 0 CA--C 1.504 -0.807 0 CA-C-N 114.559 -1.2 . . . . 70.959999999999994 111.218 174.246 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -57.03 -44.1 82.56 Favored 'General case' 0 C--O 1.218 -0.598 0 O-C-N 123.483 0.489 . . . . 45.469999999999999 112.046 -172.599 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 75' ' ' LEU . 18.0 mt -65.68 -32.04 73.38 Favored 'General case' 0 C--O 1.239 0.549 0 N-CA-C 112.116 0.414 . . . . 40.880000000000003 112.116 178.938 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' ALA . . . . . . . . . . . . . . . -63.89 -39.45 94.21 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.799 0.687 . . . . 46.450000000000003 111.474 175.489 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 75.2 mt -70.97 -34.37 71.36 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 113.512 0.93 . . . . 49.590000000000003 113.512 175.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ARG . . . . . . . . . . . . . 14.0 tpt180 -64.4 -40.95 96.79 Favored 'General case' 0 C--O 1.211 -0.941 0 CA-C-N 114.992 -1.004 . . . . 60.359999999999999 110.175 176.057 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' VAL . . . . . . . . . . . . . 23.6 t -57.99 -42.67 83.24 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.981 0 CA-C-N 115.405 -0.816 . . . . 42.939999999999998 112.429 174.515 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -68.52 -38.61 81.02 Favored 'General case' 0 CA--C 1.496 -1.128 0 N-CA-C 112.422 0.527 . . . . 102.19 112.422 -178.817 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -69.31 -40.42 77.66 Favored 'General case' 0 C--O 1.203 -1.389 0 C-N-CA 119.825 -0.75 . . . . 109.06999999999999 111.68 177.656 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' ILE . . . . . . . . . . . . . 54.6 mt -63.43 -39.08 83.96 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.085 0 O-C-N 122.032 -0.417 . . . . 41.420000000000002 111.071 175.851 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.5 -38.76 88.52 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.364 0.876 . . . . 48.350000000000001 113.364 179.044 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -56.7 -44.24 81.33 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-O 119.605 -0.236 . . . . 101.69 110.434 171.347 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -78.09 -13.32 59.91 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 123.817 0.698 . . . . 63.960000000000001 111.601 -172.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -109.45 -2.17 17.88 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.355 0.502 . . . . 76.640000000000001 112.355 -177.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' GLY . . . . . . . . . . . . . . . 75.3 22.7 75.52 Favored Glycine 0 C--N 1.335 0.513 0 CA-C-O 119.415 -0.659 . . . . 45.420000000000002 112.957 -179.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -91.09 119.65 68.76 Favored Pre-proline 0 C--O 1.236 0.355 0 N-CA-C 109.356 -0.609 . . . . 42.57 109.356 178.149 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -64.02 133.54 38.96 Favored 'Trans proline' 0 C--O 1.212 -0.807 0 C-N-CA 121.414 1.41 . . . . 33.960000000000001 111.272 -178.249 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 90' ' ' VAL . . . . . . . . . . . . . 97.2 t -109.98 110.43 32.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.753 0.787 . . . . 41.57 110.524 175.117 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' LEU . . . . . . . . . . . . . 4.9 mp -106.94 137.96 44.02 Favored 'General case' 0 N--CA 1.426 -1.658 0 CA-C-N 115.152 -0.931 . . . . 36.990000000000002 109.666 -176.888 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' GLN . . . . . . . . . . . . . 20.2 tt0 -89.88 109.73 20.72 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-O 121.614 0.721 . . . . 92.390000000000001 112.2 174.456 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' ARG . . . . . 0.525 ' HG3' HG22 ' B' ' 121' ' ' VAL . 81.4 mmt-85 -134.48 93.38 3.04 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 106.832 -1.544 . . . . 43.909999999999997 106.832 174.577 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' ILE . . . . . . . . . . . . . 10.3 mt -68.56 -46.85 35.91 Favored Pre-proline 0 C--O 1.246 0.879 0 N-CA-C 115.857 1.799 . . . . 45.240000000000002 115.857 -168.801 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' PRO . . . . . 0.401 ' HD2' ' O ' ' B' ' 204' ' ' HOH . 23.5 Cg_exo -67.39 -35.35 23.94 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 115.723 -2.385 . . . . 51.310000000000002 112.125 178.33 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' LEU . . . . . . . . . . . . . 49.8 tp -68.43 -46.1 70.78 Favored 'General case' 0 C--O 1.218 -0.602 0 O-C-N 123.775 0.672 . . . . 44.799999999999997 112.082 177.206 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' ALA . . . . . . . . . . . . . . . -56.96 -49.13 76.62 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 110.121 -0.326 . . . . 56.119999999999997 110.121 177.649 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' ARG . . . . . . . . . . . . . 61.4 mtm-85 -57.76 -47.84 81.35 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 122.033 0.92 . . . . 79.329999999999998 112.189 176.342 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.95 82.17 Favored 'General case' 0 C--N 1.316 -0.872 0 O-C-N 121.746 -0.596 . . . . 44.32 110.983 179.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.59 -43.32 84.56 Favored 'General case' 0 C--O 1.203 -1.367 0 O-C-N 123.575 0.547 . . . . 44.109999999999999 111.43 178.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' LEU . . . . . . . . . . . . . 43.3 tp -55.22 -47.52 75.22 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 109.663 -0.495 . . . . 42.539999999999999 109.663 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' ARG . . . . . . . . . . . . . 7.9 ttp85 -74.45 -46.88 36.98 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.728 -0.215 . . . . 94.189999999999998 111.324 -172.764 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -96.32 -40.16 9.27 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 114.614 1.338 . . . . 72.879999999999995 114.614 -170.592 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' GLY . . . . . . . . . . . . . . . -64.07 142.13 45.81 Favored Glycine 0 N--CA 1.483 1.788 0 N-CA-C 115.746 1.058 . . . . 53.329999999999998 115.746 -175.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -126.71 131.98 51.25 Favored 'General case' 0 CA--C 1.515 -0.367 0 C-N-CA 120.767 -0.373 . . . . 55.100000000000001 111.533 -179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' VAL . . . . . . . . . . . . . 78.3 t -53.02 136.92 13.83 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.615 0 N-CA-C 113.261 0.837 . . . . 54.100000000000001 113.261 -176.604 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 64.05 17.61 10.72 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 114.752 1.389 . . . . 89.629999999999995 114.752 -178.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' GLN . . . . . . . . . . . . . 30.3 mt-30 -123.9 156.36 36.41 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 109.12 -0.696 . . . . 72.939999999999998 109.12 175.808 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' TYR . . . . . 0.421 ' CD1' ' HB2' ' B' ' 64' ' ' LEU . 61.3 m-85 -64.98 155.45 34.49 Favored 'General case' 0 C--O 1.246 0.898 0 CA-C-N 115.355 -0.839 . . . . 70.969999999999999 110.627 177.898 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' ILE . . . . . . . . . . . . . 42.4 pt -66.12 152.82 93.27 Favored Pre-proline 0 C--O 1.245 0.861 0 CA-C-N 115.031 -0.986 . . . . 56.520000000000003 110.436 -178.846 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -63.0 152.32 80.05 Favored 'Trans proline' 0 N--CA 1.447 -1.259 0 O-C-N 123.232 1.122 . . . . 45.280000000000001 110.433 177.58 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' ALA . . . . . . . . . . . . . . . -58.46 -36.87 74.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 123.702 0.626 . . . . 59.270000000000003 109.845 178.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -58.99 -25.95 64.06 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 112.872 0.693 . . . . 78.299999999999997 112.872 -178.976 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' LEU . . . . . . . . . . . . . 55.8 mt -109.18 16.1 22.73 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.643 -0.708 . . . . 47.240000000000002 112.664 -173.294 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' ILE . . . . . . . . . . . . . 7.3 mt -69.6 -41.7 80.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.42 0.629 . . . . 56.369999999999997 112.113 174.157 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -61.18 -50.26 73.86 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.169 -0.469 . . . . 49.579999999999998 111.35 178.368 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.96 -31.65 66.51 Favored 'General case' 0 C--O 1.253 1.26 0 CA-C-N 116.212 -0.449 . . . . 45.920000000000002 111.552 -171.964 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' THR . . . . . . . . . . . . . 27.3 m -74.25 -35.12 63.81 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-O 122.813 1.292 . . . . 50.100000000000001 111.271 179.969 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' B' ' 123' ' ' ARG . . . -60.24 -43.58 95.96 Favored 'General case' 0 C--O 1.211 -0.923 0 CA-C-N 115.141 -0.936 . . . . 46.619999999999997 110.619 174.573 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' GLU . . . . . . . . . . . . . 11.4 tm-20 -58.09 -41.33 83.25 Favored 'General case' 0 C--O 1.209 -1.034 0 C-N-CA 123.645 0.778 . . . . 55.020000000000003 111.891 179.858 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' VAL . . . . . 0.525 HG22 ' HG3' ' B' ' 93' ' ' ARG . 98.2 t -62.19 -53.81 42.69 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.935 0 CA-C-O 121.656 0.741 . . . . 45.659999999999997 111.172 178.975 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 78.1 mt -59.36 -40.55 86.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.629 -1.168 . . . . 40.630000000000003 111.928 177.756 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' B' ' 119' ' ' ALA . 3.3 ttp180 -64.78 -35.38 80.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.986 -1.006 . . . . 48.630000000000003 110.091 -176.764 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -65.92 -26.28 67.53 Favored 'General case' 0 C--O 1.248 1.003 0 O-C-N 123.714 0.634 . . . . 41.75 111.987 -178.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 46.8 mt -88.26 -11.52 46.32 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 115.52 1.674 . . . . 50.32 115.52 -178.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 126' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 . . . . . 0 N--CA 1.48 1.032 0 N-CA-C 112.618 0.599 . . . . 84.069999999999993 112.618 -178.578 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 204' ' ' HOH . . . . . 0.401 ' O ' ' HD2' ' B' ' 95' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_