data_3ifk_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 3ifk _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 ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.508 2.449 0 N-CA-C 117.206 2.298 . . . . 61.64 117.206 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LEU . . . . . 0.835 ' O ' ' NE2' ' A' ' 8' ' ' GLN . 6.6 tp -90.27 -27.91 19.14 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 119.09 -0.481 . . . . 57.55 111.317 171.224 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . 0.284 0.1 OUTLIER 72.65 140.42 0.06 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.969 2.211 . . . . 53.94 116.969 174.965 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -58.48 -45.38 88.78 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 114.79 -1.095 . . . . 53.87 112.603 -174.656 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.36 -39.35 74.7 Favored 'General case' 0 C--O 1.198 -1.608 0 N-CA-C 107.177 -1.416 . . . . 57.17 107.177 -170.01 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' GLN . . . . . 0.835 ' NE2' ' O ' ' A' ' 4' ' ' LEU . 15.3 mt-30 -62.65 -42.61 99.7 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 122.905 0.482 . . . . 48.97 110.372 175.191 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' ILE . . . . . 0.462 ' CD1' ' CG2' ' B' ' 9' ' ' ILE . 0.0 OUTLIER -66.61 -40.65 86.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 118.48 -1.288 . . . . 35.77 107.886 179.134 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.23 79.81 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-N 116.327 -0.397 . . . . 30.45 111.657 173.482 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.95 -37.56 72.84 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.724 0.773 . . . . 51.9 109.036 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -60.01 -44.75 94.37 Favored 'General case' 0 C--O 1.18 -2.557 0 CA-C-O 118.327 -0.844 . . . . 30.15 112.885 168.88 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.12 83.61 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 120.666 1.576 . . . . 44.65 111.739 177.649 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.23 -43.18 78.5 Favored 'General case' 0 C--O 1.198 -1.651 0 N-CA-C 107.142 -1.429 . . . . 47.3 107.142 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.47 96.28 Favored 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 117.861 -1.536 . . . . 26.56 110.576 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -54.44 -42.73 70.91 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 116.389 -0.368 . . . . 22.34 110.614 178.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -68.98 -16.79 63.82 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 118.986 -1.086 . . . . 32.98 111.932 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 83.4 mt -68.89 -22.88 64.16 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 119.781 -0.768 . . . . 24.6 109.365 175.158 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -102.32 -41.36 6.37 Favored 'General case' 0 CA--C 1.461 -2.457 0 N-CA-C 109.024 -0.732 . . . . 28.19 109.024 179.92 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -82.69 75.83 9.58 Favored 'General case' 0 N--CA 1.418 -2.034 0 C-N-CA 118.906 -1.118 . . . . 30.48 108.314 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LYS . . . . . 0.561 ' CE ' ' O ' ' A' ' 97' ' ' HOH . 15.5 mtmt -71.35 -39.14 71.5 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.869 1.433 . . . . 44.32 114.869 -169.162 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -76.82 7.14 5.05 Favored 'General case' 0 C--O 1.245 0.849 0 C-N-CA 120.531 -0.468 . . . . 41.38 111.724 173.601 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 19.17 54.1 Favored Glycine 0 CA--C 1.506 -0.501 0 C-N-CA 120.591 -0.814 . . . . 36.9 111.681 171.569 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -82.68 -0.92 49.6 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.086 -0.646 . . . . 35.8 111.745 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.93 4.05 67.52 Favored Glycine 0 C--O 1.199 -2.081 0 C-N-CA 120.174 -1.012 . . . . 29.8 114.465 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.5 p -135.53 150.83 49.85 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 106.727 -1.583 . . . . 30.64 106.727 -177.692 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' ILE . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' ILE . 60.3 mt -109.73 128.02 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.586 0 N-CA-C 104.429 -2.434 . . . . 25.47 104.429 169.82 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 101' ' ' HOH 0.389 0.4 OUTLIER -109.57 160.98 15.8 Favored 'General case' 0 N--CA 1.408 -2.57 1 N-CA-C 99.811 -4.144 . . . . 33.7 99.811 -168.448 . . . . . . . . 5 4 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.5 p -58.49 -33.58 69.97 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-O 118.846 -0.597 . . . . 33.28 112.525 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LYS . . . . . 0.471 ' O ' ' CG2' ' A' ' 34' ' ' THR . 0.0 OUTLIER -56.42 -49.94 73.08 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 122.8 1.286 . . . . 40.66 110.61 174.131 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -67.36 -42.19 83.86 Favored 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 114.596 -1.184 . . . . 35.25 109.343 -175.551 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 18.2 tp -63.8 -42.53 97.7 Favored 'General case' 0 C--O 1.259 1.563 0 C-N-CA 119.74 -0.784 . . . . 24.15 109.025 176.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.47 -44.93 96.9 Favored Glycine 0 C--O 1.182 -3.113 0 N-CA-C 106.285 -2.726 . . . . 23.32 106.285 -179.194 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' THR . . . . . 0.471 ' CG2' ' O ' ' A' ' 30' ' ' LYS 0.515 0.2 OUTLIER -62.51 -44.27 96.78 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 116.54 -2.064 . . . . 31.94 112.014 -177.148 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.4 t -62.68 -46.22 96.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 C-N-CA 117.745 -1.582 . . . . 26.18 110.243 178.117 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 87.2 mmm -53.31 -48.01 68.78 Favored 'General case' 0 CA--C 1.503 -0.864 0 O-C-N 123.838 0.711 . . . . 45.93 111.874 -178.533 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' GLY . 92.1 mtm-85 -64.35 -40.75 96.48 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 114.607 1.336 . . . . 42.25 114.607 175.003 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 p -57.68 -25.4 60.21 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 123.484 1.611 . . . . 37.61 111.706 174.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.3 mt -86.02 6.79 27.17 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 114.658 -1.156 . . . . 36.99 110.306 174.473 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' ARG . . . 73.73 8.02 76.07 Favored Glycine 0 N--CA 1.469 0.884 0 N-CA-C 115.816 1.086 . . . . 42.77 115.816 -177.609 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.4 168.6 17.33 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 105.054 -2.202 . . . . 50.73 105.054 175.423 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.76 69.18 59.09 Favored Pre-proline 0 CA--C 1.486 -1.504 0 C-N-CA 117.738 -1.585 . . . . 50.62 108.585 171.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -62.99 148.91 92.98 Favored 'Trans proline' 0 C--O 1.257 1.451 0 C-N-CA 115.575 -2.484 . . . . 43.54 110.599 178.162 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' THR . . . . . 0.568 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 61.6 p -80.64 159.32 25.39 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 106.242 -1.762 . . . . 40.27 106.242 170.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -50.13 -38.59 39.79 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.217 -0.29 . . . . 52.54 110.217 171.287 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.65 93.57 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 107.188 -1.412 . . . . 34.05 107.188 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 44' ' ' THR . 52.0 mt-10 -63.34 -47.79 80.69 Favored 'General case' 0 C--O 1.185 -2.314 0 CA-C-N 116.414 -0.357 . . . . 48.22 110.865 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -51.23 70.8 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 124.238 1.015 . . . . 29.75 109.92 178.883 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -56.12 -47.57 77.86 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 115.181 -0.918 . . . . 44.14 109.055 178.441 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' O ' ' CG ' ' A' ' 54' ' ' GLU . 6.4 t70 -63.61 -39.57 94.7 Favored 'General case' 0 N--CA 1.411 -2.417 0 C-N-CA 118.891 -1.124 . . . . 41.19 112.087 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.4 mtp -61.29 -48.89 79.32 Favored 'General case' 0 C--O 1.188 -2.157 0 C-N-CA 118.175 -1.41 . . . . 36.89 109.576 175.018 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.1 mm -57.62 -41.41 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 C-N-CA 118.788 -1.165 . . . . 30.8 110.055 178.214 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -67.03 -35.94 80.99 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 110.332 -0.248 . . . . 38.24 110.332 -171.426 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -65.28 -25.62 67.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 117.924 -1.511 . . . . 43.95 111.746 -174.511 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 3.5 m -117.37 -6.27 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 N-CA-C 108.385 -0.969 . . . . 31.25 108.385 -168.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' OD1' ' N ' ' A' ' 61' ' ' GLY . 40.6 t0 -78.7 75.7 5.21 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 106.85 -1.537 . . . . 34.34 106.85 179.211 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.05 -31.67 61.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 123.96 0.787 . . . . 31.81 112.142 -175.769 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -99.37 1.11 44.06 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 116.022 -2.271 . . . . 33.76 114.151 -175.271 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.98 18.36 64.44 Favored Glycine 0 C--O 1.253 1.314 0 O-C-N 124.047 0.842 . . . . 34.76 112.925 173.549 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -83.66 5.41 24.61 Favored 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 116.865 -1.934 . . . . 33.79 113.408 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 56' ' ' ASP . . . 89.2 -5.01 84.58 Favored Glycine 0 N--CA 1.468 0.805 0 O-C-N 124.158 0.911 . . . . 30.95 115.208 174.053 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.8 p -132.27 162.36 31.19 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 117.019 -1.872 . . . . 30.0 106.09 -179.546 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . 0.559 ' CD1' ' N ' ' A' ' 68' ' ' PHE 0.366 0.4 OUTLIER -104.95 118.35 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.032 0 C-N-CA 116.423 -2.111 . . . . 24.75 112.732 173.784 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.1 p30 -90.38 170.07 10.54 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 106.762 -1.569 . . . . 29.3 106.762 178.279 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -53.98 -46.59 98.56 Favored Pre-proline 0 N--CA 1.4 -2.96 0 N-CA-C 114.942 1.46 . . . . 18.67 114.942 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' O ' ' CG2' ' A' ' 70' ' ' THR . 85.2 Cg_exo -58.56 -33.8 98.37 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 115.12 -2.787 . . . . 17.25 113.573 -179.433 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -73.69 -42.36 61.39 Favored 'General case' 0 CA--C 1.476 -1.893 0 CA-C-N 118.856 0.753 . . . . 22.11 109.834 177.937 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' PHE . . . . . 0.559 ' N ' ' CD1' ' A' ' 63' ' ' ILE . 72.9 t80 -55.06 -50.26 69.57 Favored 'General case' 0 C--O 1.192 -1.923 0 CA-C-N 114.573 -1.194 . . . . 22.74 112.192 172.827 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . 0.269 0.0 OUTLIER -61.82 -44.17 97.39 Favored 'General case' 0 C--O 1.185 -2.342 0 N-CA-C 108.743 -0.836 . . . . 24.29 108.743 179.733 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' THR . . . . . 0.566 ' CG2' ' O ' ' A' ' 66' ' ' PRO 0.481 0.6 OUTLIER -60.26 -36.76 78.54 Favored 'General case' 0 C--O 1.19 -2.061 0 C-N-CA 114.77 -2.772 . . . . 23.88 112.767 177.548 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' MET . . . . . 0.66 ' CE ' ' CE ' ' A' ' 72' ' ' MET . 62.0 ttp -65.5 -48.52 72.28 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 106.118 -1.808 . . . . 24.9 106.118 179.146 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' MET . . . . . 0.66 ' CE ' ' CE ' ' A' ' 71' ' ' MET . 23.7 mmt -67.38 -37.81 83.74 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 117.46 -1.696 . . . . 29.47 109.987 -172.353 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.72 99.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.411 1.1 . . . . 18.94 108.458 -179.113 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' ARG . . . . . 0.434 ' NE ' ' O ' ' A' ' 115' ' ' HOH . 0.0 OUTLIER -75.19 -37.02 61.37 Favored 'General case' 0 N--CA 1.4 -2.944 0 C-N-CA 118.841 -1.144 . . . . 44.94 108.168 -175.886 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.85 -46.7 87.11 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.705 -1.22 . . . . 33.89 107.705 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.1 ttp -56.03 -45.97 78.99 Favored 'General case' 0 C--O 1.189 -2.126 0 C-N-CA 120.308 -0.557 . . . . 39.96 111.754 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -58.5 -47.13 85.13 Favored 'General case' 0 C--O 1.201 -1.474 0 N-CA-C 108.755 -0.831 . . . . 43.64 108.755 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -64.02 -48.79 74.97 Favored 'General case' 0 C--O 1.161 -3.563 0 N-CA-C 106.395 -1.706 . . . . 37.69 106.395 -171.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 24.6 m -52.87 -46.1 67.75 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 118.999 -0.524 . . . . 25.37 111.974 177.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -65.5 -42.25 92.31 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.882 -0.785 . . . . 42.01 108.882 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.4 t -65.22 -39.0 92.17 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 114.975 -1.011 . . . . 30.5 110.249 177.5 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.56 -35.49 73.12 Favored 'General case' 0 C--N 1.311 -1.066 0 O-C-N 119.317 -2.114 . . . . 38.2 112.619 176.462 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -60.91 -45.35 94.98 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.636 -0.826 . . . . 44.23 109.907 175.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.67 -47.93 80.92 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 122.088 0.947 . . . . 44.79 112.377 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mt -61.54 -42.39 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.755 0 C-N-CA 119.128 -1.029 . . . . 32.18 111.468 174.127 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.8 -44.17 81.67 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 107.039 -1.467 . . . . 48.57 107.039 177.08 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -53.4 -47.25 69.71 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.777 -0.823 . . . . 45.42 108.777 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.86 71.05 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.181 0.808 . . . . 32.45 113.181 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--O 1.247 0.971 0 N-CA-C 113.428 0.899 . . . . 33.5 113.428 175.953 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.717 0 N-CA-C 115.336 1.606 . . . . 56.71 115.336 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LEU . . . . . 0.46 ' O ' ' NE2' ' B' ' 8' ' ' GLN . 7.1 tp -60.05 -71.74 0.12 Allowed 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 117.307 -1.33 . . . . 51.7 112.328 168.317 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' THR . . . . . 1.25 ' CG2' ' N ' ' B' ' 6' ' ' GLU . 3.6 m -174.33 -106.5 0.0 OUTLIER 'General case' 0 C--O 1.268 2.066 1 N-CA-C 127.098 5.962 . . . . 54.14 127.098 -159.435 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' GLU . . . . . 1.25 ' N ' ' CG2' ' B' ' 5' ' ' THR . 3.6 tp10 103.36 -71.16 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 1 C-N-CA 133.452 4.701 . . . . 58.56 106.774 -154.264 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' GLU . . . . . 0.591 ' N ' ' CG2' ' B' ' 5' ' ' THR . 28.6 tt0 -70.81 -44.49 66.45 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 113.889 1.07 . . . . 52.75 113.889 -177.606 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' GLN . . . . . 0.958 ' CB ' ' OG1' ' B' ' 5' ' ' THR . 0.7 OUTLIER -55.46 -46.57 76.81 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 122.01 0.91 . . . . 48.71 109.559 173.634 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' ILE . . . . . 0.462 ' CG2' ' CD1' ' A' ' 9' ' ' ILE . 88.3 mt -64.14 -45.28 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.86 0 N-CA-C 108.147 -1.057 . . . . 30.14 108.147 -178.818 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.08 -43.6 87.12 Favored 'General case' 0 C--O 1.186 -2.285 0 O-C-N 124.011 0.82 . . . . 28.93 109.906 175.049 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -69.95 -32.01 70.05 Favored 'General case' 0 C--O 1.181 -2.514 0 N-CA-C 108.334 -0.987 . . . . 43.01 108.334 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' PHE . . . . . 0.428 ' N ' ' O ' ' B' ' 8' ' ' GLN . 11.8 m-85 -68.52 -32.57 72.63 Favored 'General case' 0 CA--C 1.44 -3.27 0 C-N-CA 116.242 -2.183 . . . . 24.29 109.422 179.43 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -74.34 -39.27 62.92 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 124.51 1.131 . . . . 43.56 109.796 -174.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.31 -41.73 98.95 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 107.205 -1.406 . . . . 44.93 107.205 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.01 -41.75 97.37 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.301 1.048 . . . . 24.89 109.701 -179.695 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -51.02 -46.62 61.63 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.47 -0.787 . . . . 22.5 110.473 176.678 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -61.75 -23.92 66.48 Favored 'General case' 0 CA--C 1.481 -1.708 0 CA-C-N 115.63 -0.713 . . . . 32.68 112.129 -177.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . 0.462 ' O ' ' NZ ' ' B' ' 21' ' ' LYS . 0.0 OUTLIER -66.16 -30.67 71.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 124.363 1.039 . . . . 32.08 110.621 175.236 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 52.3 m-85 -93.98 -40.68 9.98 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 120.115 -0.634 . . . . 28.18 110.384 178.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.44 71.17 10.3 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.886 -0.783 . . . . 31.87 108.886 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' B' ' 18' ' ' LEU . 6.9 mmtm -67.16 -36.43 81.8 Favored 'General case' 0 C--O 1.248 0.982 0 N-CA-C 113.711 1.004 . . . . 44.06 113.711 -171.285 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -76.54 3.43 11.39 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 119.384 -0.927 . . . . 42.45 111.949 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.32 22.1 55.27 Favored Glycine 0 C--O 1.213 -1.186 0 CA-C-O 119.012 -0.882 . . . . 36.74 113.557 176.882 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -79.42 0.52 28.99 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.212 1.506 . . . . 40.25 113.583 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.57 4.64 73.0 Favored Glycine 0 C--O 1.202 -1.894 0 N-CA-C 109.794 -1.322 . . . . 29.64 109.794 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 46.2 p -133.13 149.02 52.12 Favored 'General case' 0 C--N 1.314 -0.976 0 O-C-N 121.776 -0.838 . . . . 31.19 109.864 177.048 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -106.21 125.46 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 103.096 -2.928 . . . . 26.6 103.096 172.783 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 28' ' ' THR . . . . . . . . . . . . . 81.9 p -88.82 171.33 10.02 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.874 0.845 . . . . 31.95 111.398 173.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 31.1 p -62.39 -37.3 85.24 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 106.452 -1.684 . . . . 37.54 106.452 174.332 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 30' ' ' LYS . . . . . 0.435 ' O ' ' CG2' ' B' ' 34' ' ' THR . 6.7 mtmm -61.37 -49.05 78.49 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 118.872 -0.585 . . . . 43.69 110.295 178.422 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -59.8 -44.02 94.15 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 117.908 -1.517 . . . . 29.9 111.981 176.998 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 38.5 tp -57.19 -47.31 81.57 Favored 'General case' 0 C--O 1.206 -1.223 0 O-C-N 124.209 0.943 . . . . 25.74 109.134 177.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.26 -45.53 95.92 Favored Glycine 0 C--O 1.208 -1.514 0 CA-C-O 118.399 -1.223 . . . . 33.17 113.041 177.796 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 34' ' ' THR . . . . . 0.435 ' CG2' ' O ' ' B' ' 30' ' ' LYS 0.327 0.6 OUTLIER -63.7 -40.93 98.01 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 118.548 1.174 . . . . 36.32 110.115 176.316 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 46.9 t -65.71 -51.86 57.16 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.961 0 C-N-CA 116.403 -2.119 . . . . 31.17 110.996 173.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 36' ' ' MET . . . . . . . . . . . . . 95.0 mmm -50.57 -46.51 57.74 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.625 -0.672 . . . . 41.74 111.323 177.088 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 37' ' ' ARG . . . . . 0.4 ' O ' ' N ' ' B' ' 40' ' ' GLY . 80.4 mtm-85 -62.78 -48.57 78.57 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.298 -0.961 . . . . 46.99 111.958 -179.007 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -29.35 1.79 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.605 1.162 . . . . 38.52 113.955 170.408 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 48.9 mt -89.99 6.73 40.91 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 116.074 -0.512 . . . . 37.53 110.433 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 40' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' B' ' 37' ' ' ARG . . . 84.32 1.73 89.34 Favored Glycine 0 C--O 1.238 0.404 0 N-CA-C 107.957 -2.057 . . . . 43.64 107.957 171.978 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -79.57 159.1 26.98 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 123.047 1.403 . . . . 49.69 108.233 173.775 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.79 69.5 30.17 Favored Pre-proline 0 C--N 1.313 -0.992 0 N-CA-C 104.339 -2.467 . . . . 51.46 104.339 -176.045 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.03 145.37 15.49 Favored 'Trans proline' 0 N--CA 1.436 -1.9 0 N-CA-C 108.758 -1.285 . . . . 47.46 108.758 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 44' ' ' THR . . . . . 0.419 ' N ' ' OE1' ' B' ' 47' ' ' GLU . 37.6 p -67.59 167.37 13.12 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.954 -1.021 . . . . 49.28 109.018 172.742 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -57.98 4.62 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 115.401 -0.818 . . . . 57.67 110.49 167.482 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.64 70.39 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 114.508 1.299 . . . . 41.78 114.508 -177.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 47' ' ' GLU . . . . . 0.419 ' OE1' ' N ' ' B' ' 44' ' ' THR . 5.8 mt-10 -68.14 -46.21 71.46 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 119.23 -0.988 . . . . 41.99 109.114 176.139 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 48' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -46.32 85.43 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-O 122.964 1.364 . . . . 36.32 110.383 176.047 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 tp-100 -64.32 -41.52 96.77 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 113.479 -1.691 . . . . 40.36 111.943 -179.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -58.51 -44.68 89.59 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.357 -0.979 . . . . 45.0 108.357 176.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 51' ' ' MET . . . . . . . . . . . . . 34.9 mtt -65.73 -43.99 87.37 Favored 'General case' 0 CA--C 1.48 -1.75 0 N-CA-C 107.34 -1.355 . . . . 34.72 107.34 -175.662 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 52' ' ' ILE . . . . . . . . . . . . . 9.4 mm -59.03 -46.29 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.722 0.772 . . . . 28.06 110.149 175.706 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -68.45 -35.62 77.85 Favored 'General case' 0 CA--C 1.476 -1.869 0 CA-C-N 115.4 -0.818 . . . . 30.55 110.151 -168.522 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 54' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -68.24 -26.98 65.96 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 116.601 -2.039 . . . . 51.33 111.515 -175.483 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 25.6 m -111.87 -3.73 10.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 C-N-CA 119.141 -1.024 . . . . 28.67 111.755 -178.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -79.96 78.79 6.56 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 105.822 -1.918 . . . . 30.88 105.822 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.69 68.66 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-N 115.2 -0.909 . . . . 30.69 112.869 -170.369 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -104.43 14.85 29.35 Favored 'General case' 0 C--O 1.203 -1.388 0 C-N-CA 118.795 -1.162 . . . . 33.26 111.21 179.021 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 45.93 31.49 4.2 Favored Glycine 0 C--O 1.209 -1.424 0 C-N-CA 124.982 1.277 . . . . 32.92 115.723 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -86.85 14.3 7.47 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 116.262 -2.175 . . . . 31.5 109.511 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.47 -16.79 47.57 Favored Glycine 0 C--O 1.205 -1.66 0 C-N-CA 119.213 -1.47 . . . . 31.99 113.399 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 56.7 p -129.87 164.05 25.0 Favored 'General case' 0 CA--C 1.488 -1.433 0 C-N-CA 117.266 -1.773 . . . . 27.58 108.459 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 63' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -106.12 121.78 58.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 115.598 -2.441 . . . . 26.64 112.16 -179.133 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -93.68 176.93 6.18 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 105.408 -2.071 . . . . 34.53 105.408 -176.6 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -64.1 -39.32 43.0 Favored Pre-proline 0 N--CA 1.407 -2.625 0 C-N-CA 116.538 -2.065 . . . . 21.11 113.118 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 66' ' ' PRO . . . . . 0.608 ' O ' ' CG2' ' B' ' 70' ' ' THR . 55.8 Cg_exo -57.41 -40.26 82.86 Favored 'Trans proline' 0 CA--C 1.485 -1.952 0 C-N-CA 113.445 -3.903 . . . . 17.21 115.434 176.034 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -70.66 -39.07 73.8 Favored 'General case' 0 C--O 1.193 -1.878 0 C-N-CA 119.21 -0.996 . . . . 21.96 111.991 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 68' ' ' PHE . . . . . . . . . . . . . 81.2 t80 -58.22 -48.83 79.13 Favored 'General case' 0 C--O 1.2 -1.54 0 C-N-CA 119.079 -1.048 . . . . 26.18 110.006 174.952 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . 0.291 0.0 OUTLIER -62.69 -43.15 99.54 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.709 -1.219 . . . . 22.67 107.709 -175.758 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 70' ' ' THR . . . . . 0.608 ' CG2' ' O ' ' B' ' 66' ' ' PRO 0.61 0.5 OUTLIER -54.09 -49.33 69.34 Favored 'General case' 0 C--O 1.201 -1.491 0 C-N-CA 118.57 -1.252 . . . . 23.55 111.773 173.289 . . . . . . . . 4 4 . 1 . 001 ecloud orig full ' B' B ' 71' ' ' MET . . . . . 0.567 ' CE ' ' CE ' ' B' ' 72' ' ' MET . 54.1 ttp -57.76 -49.41 76.66 Favored 'General case' 0 C--O 1.183 -2.418 0 C-N-CA 118.987 -1.085 . . . . 23.83 110.166 177.523 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 72' ' ' MET . . . . . 0.567 ' CE ' ' CE ' ' B' ' 71' ' ' MET . 18.6 mmt -70.96 -41.57 70.9 Favored 'General case' 0 C--O 1.2 -1.551 0 N-CA-C 110.02 -0.363 . . . . 27.83 110.02 -171.653 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.48 -37.17 84.51 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 107.53 -1.285 . . . . 22.06 107.53 178.707 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 40.4 ttp-105 -67.33 -42.5 83.49 Favored 'General case' 0 CA--C 1.57 1.73 0 CA-C-O 122.565 1.174 . . . . 44.11 110.502 179.79 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -60.41 -41.94 94.93 Favored 'General case' 0 N--CA 1.412 -2.345 0 O-C-N 121.047 -1.033 . . . . 28.14 109.628 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 76' ' ' MET . . . . . 0.444 ' SD ' ' NE2' ' B' ' 8' ' ' GLN . 32.8 ttp -64.64 -51.74 61.04 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 107.227 -1.397 . . . . 35.89 107.227 -175.748 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -40.79 86.38 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 114.527 1.306 . . . . 43.09 114.527 174.707 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -62.96 -44.88 94.84 Favored 'General case' 0 C--O 1.192 -1.943 0 O-C-N 121.037 -1.039 . . . . 29.41 111.332 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 96.9 m -56.79 -53.65 55.4 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 124.244 0.965 . . . . 27.91 111.265 175.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . 0.273 0.3 OUTLIER -53.77 138.22 36.15 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 101.695 -3.446 . . . . 43.57 101.695 172.813 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 81' ' ' SER . . . . . . . . . . . . . 3.5 t 96.34 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.268 -2.941 2 C-N-CA 100.759 -8.376 . . . . 25.83 111.972 171.285 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -64.41 -36.26 83.58 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 117.046 -1.862 . . . . 37.32 107.465 158.745 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 83' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -72.99 -37.55 66.95 Favored 'General case' 0 N--CA 1.397 -3.089 0 CA-C-N 114.586 -1.188 . . . . 49.25 110.363 177.645 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 84' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -54.23 -54.31 41.76 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 125.332 1.453 . . . . 43.5 111.162 169.099 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.16 -35.98 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.889 0 O-C-N 121.656 -0.653 . . . . 27.91 111.261 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 86' ' ' ARG . . . . . 0.415 ' NH1' ' O ' ' B' ' 112' ' ' HOH . 0.1 OUTLIER -55.58 -41.95 74.06 Favored 'General case' 0 C--O 1.193 -1.904 0 N-CA-C 108.551 -0.907 . . . . 51.84 108.551 174.314 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.07 -38.49 79.09 Favored 'General case' 0 CA--C 1.485 -1.535 0 C-N-CA 123.015 0.526 . . . . 43.85 109.731 -175.84 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.84 96.75 Favored 'General case' 0 N--CA 1.4 -2.952 0 O-C-N 124.773 1.295 . . . . 27.34 109.305 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 89' ' ' PHE . . . . . 0.783 ' C ' ' O ' ' B' ' 124' ' ' HOH . 5.9 m-85 . . . . . 0 C--O 1.261 1.689 0 CA-C-N 119.136 0.88 . . . . 30.67 111.788 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 91' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' HOH . . . . . 0.561 ' O ' ' CE ' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' HOH . . . . . 0.468 ' O ' ' CG2' ' A' ' 28' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 115' ' ' HOH . . . . . 0.434 ' O ' ' NE ' ' A' ' 74' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 97' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 112' ' ' HOH . . . . . 0.415 ' O ' ' NH1' ' B' ' 86' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 123' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 124' ' ' HOH . . . . . 0.783 ' O ' ' C ' ' B' ' 89' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.508 2.449 0 N-CA-C 117.206 2.298 . . . . 61.640000000000001 117.206 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LEU . . . . . 0.694 ' O ' ' OE1' ' A' ' 8' ' ' GLN . 6.6 tp -90.27 -27.91 19.14 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 119.09 -0.481 . . . . 57.549999999999997 111.317 171.224 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 5' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 9' ' ' ILE 0.284 0.1 OUTLIER 72.65 140.42 0.06 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.969 2.211 . . . . 53.939999999999998 116.969 174.965 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 6' ' ' GLU . . . . . 0.764 ' HB2' ' O ' ' A' ' 113' ' ' HOH . 21.7 tt0 -58.48 -45.38 88.78 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 114.79 -1.095 . . . . 53.869999999999997 112.603 -174.656 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.36 -39.35 74.7 Favored 'General case' 0 C--O 1.198 -1.608 0 N-CA-C 107.177 -1.416 . . . . 57.170000000000002 107.177 -170.01 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' GLN . . . . . 0.694 ' OE1' ' O ' ' A' ' 4' ' ' LEU . 32.4 mt-30 -62.65 -42.61 99.7 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 122.905 0.482 . . . . 48.969999999999999 110.372 175.191 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 9' ' ' ILE . . . . . 0.508 ' CD1' HG22 ' B' ' 9' ' ' ILE . 0.0 OUTLIER -66.61 -40.65 86.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 118.48 -1.288 . . . . 35.770000000000003 107.886 179.134 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -57.9 -40.23 79.81 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-N 116.327 -0.397 . . . . 30.449999999999999 111.657 173.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.95 -37.56 72.84 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.724 0.773 . . . . 51.899999999999999 109.036 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 72' ' ' MET . 23.1 m-85 -60.01 -44.75 94.37 Favored 'General case' 0 C--O 1.18 -2.557 0 CA-C-O 118.327 -0.844 . . . . 30.149999999999999 112.885 168.88 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.12 83.61 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 120.666 1.576 . . . . 44.649999999999999 111.739 177.649 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.23 -43.18 78.5 Favored 'General case' 0 C--O 1.198 -1.651 0 N-CA-C 107.142 -1.429 . . . . 47.299999999999997 107.142 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.47 96.28 Favored 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 117.861 -1.536 . . . . 26.559999999999999 110.576 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HD2' ' CG ' ' A' ' 68' ' ' PHE . 78.3 t80 -54.44 -42.73 70.91 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 116.389 -0.368 . . . . 22.34 110.614 178.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -68.98 -16.79 63.82 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 118.986 -1.086 . . . . 32.979999999999997 111.932 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 18' ' ' LEU . 83.4 mt -68.89 -22.88 64.16 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 119.781 -0.768 . . . . 24.600000000000001 109.365 175.158 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 42.5 m-85 -102.32 -41.36 6.37 Favored 'General case' 0 CA--C 1.461 -2.457 0 N-CA-C 109.024 -0.732 . . . . 28.190000000000001 109.024 179.92 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -82.69 75.83 9.58 Favored 'General case' 0 N--CA 1.418 -2.034 0 C-N-CA 118.906 -1.118 . . . . 30.48 108.314 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LYS . . . . . 0.89 ' HE3' ' O ' ' A' ' 97' ' ' HOH . 15.5 mtmt -71.35 -39.14 71.5 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.869 1.433 . . . . 44.32 114.869 -169.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -76.82 7.14 5.05 Favored 'General case' 0 C--O 1.245 0.849 0 C-N-CA 120.531 -0.468 . . . . 41.380000000000003 111.724 173.601 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 19.17 54.1 Favored Glycine 0 CA--C 1.506 -0.501 0 C-N-CA 120.591 -0.814 . . . . 36.899999999999999 111.681 171.569 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -82.68 -0.92 49.6 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.086 -0.646 . . . . 35.799999999999997 111.745 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.93 4.05 67.52 Favored Glycine 0 C--O 1.199 -2.081 0 C-N-CA 120.174 -1.012 . . . . 29.800000000000001 114.465 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 26' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 62' ' ' THR . 30.5 p -135.53 150.83 49.85 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 106.727 -1.583 . . . . 30.640000000000001 106.727 -177.692 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 63' ' ' ILE . 60.3 mt -109.73 128.02 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.586 0 N-CA-C 104.429 -2.434 . . . . 25.469999999999999 104.429 169.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 28' ' ' THR . . . . . 0.895 HG21 ' O ' ' A' ' 101' ' ' HOH 0.389 0.4 OUTLIER -109.57 160.98 15.8 Favored 'General case' 0 N--CA 1.408 -2.57 1 N-CA-C 99.811 -4.144 . . . . 33.700000000000003 99.811 -168.448 . . . . . . . . 5 4 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.5 p -58.49 -33.58 69.97 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-O 118.846 -0.597 . . . . 33.280000000000001 112.525 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LYS . . . . . 0.747 ' HZ3' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -56.42 -49.94 73.08 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 122.8 1.286 . . . . 40.659999999999997 110.61 174.131 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . 0.741 ' H ' HG22 ' A' ' 28' ' ' THR . 56.7 mt-10 -67.36 -42.19 83.86 Favored 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 114.596 -1.184 . . . . 35.25 109.343 -175.551 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' LEU . . . . . 0.632 ' O ' ' HG2' ' A' ' 36' ' ' MET . 18.2 tp -63.8 -42.53 97.7 Favored 'General case' 0 C--O 1.259 1.563 0 C-N-CA 119.74 -0.784 . . . . 24.149999999999999 109.025 176.549 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.47 -44.93 96.9 Favored Glycine 0 C--O 1.182 -3.113 0 N-CA-C 106.285 -2.726 . . . . 23.32 106.285 -179.194 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 30' ' ' LYS 0.515 0.2 OUTLIER -62.51 -44.27 96.78 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 116.54 -2.064 . . . . 31.940000000000001 112.014 -177.148 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 39.4 t -62.68 -46.22 96.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 C-N-CA 117.745 -1.582 . . . . 26.18 110.243 178.117 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 36' ' ' MET . . . . . 0.632 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 87.2 mmm -53.31 -48.01 68.78 Favored 'General case' 0 CA--C 1.503 -0.864 0 O-C-N 123.838 0.711 . . . . 45.93 111.874 -178.533 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -64.35 -40.75 96.48 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 114.607 1.336 . . . . 42.25 114.607 175.003 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 p -57.68 -25.4 60.21 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 123.484 1.611 . . . . 37.609999999999999 111.706 174.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.3 mt -86.02 6.79 27.17 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 114.658 -1.156 . . . . 36.990000000000002 110.306 174.473 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.73 8.02 76.07 Favored Glycine 0 N--CA 1.469 0.884 0 N-CA-C 115.816 1.086 . . . . 42.770000000000003 115.816 -177.609 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -82.4 168.6 17.33 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 105.054 -2.202 . . . . 50.729999999999997 105.054 175.423 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.76 69.18 59.09 Favored Pre-proline 0 CA--C 1.486 -1.504 0 C-N-CA 117.738 -1.585 . . . . 50.619999999999997 108.585 171.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 41' ' ' GLN . 43.6 Cg_endo -62.99 148.91 92.98 Favored 'Trans proline' 0 C--O 1.257 1.451 0 C-N-CA 115.575 -2.484 . . . . 43.539999999999999 110.599 178.162 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.6 p -80.64 159.32 25.39 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 106.242 -1.762 . . . . 40.270000000000003 106.242 170.761 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -50.13 -38.59 39.79 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.217 -0.29 . . . . 52.539999999999999 110.217 171.287 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.65 93.57 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 107.188 -1.412 . . . . 34.049999999999997 107.188 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 43' ' ' PRO . 52.0 mt-10 -63.34 -47.79 80.69 Favored 'General case' 0 C--O 1.185 -2.314 0 CA-C-N 116.414 -0.357 . . . . 48.219999999999999 110.865 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD13 ' HB2' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -59.39 -51.23 70.8 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 124.238 1.015 . . . . 29.75 109.92 178.883 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -56.12 -47.57 77.86 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 115.181 -0.918 . . . . 44.140000000000001 109.055 178.441 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ASP . . . . . 0.632 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 6.4 t70 -63.61 -39.57 94.7 Favored 'General case' 0 N--CA 1.411 -2.417 0 C-N-CA 118.891 -1.124 . . . . 41.189999999999998 112.087 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.4 mtp -61.29 -48.89 79.32 Favored 'General case' 0 C--O 1.188 -2.157 0 C-N-CA 118.175 -1.41 . . . . 36.890000000000001 109.576 175.018 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 52' ' ' ILE . . . . . 0.562 HD12 HG23 ' A' ' 63' ' ' ILE . 7.1 mm -57.62 -41.41 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 C-N-CA 118.788 -1.165 . . . . 30.800000000000001 110.055 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -67.03 -35.94 80.99 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 110.332 -0.248 . . . . 38.240000000000002 110.332 -171.426 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLU . . . . . 0.632 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -65.28 -25.62 67.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 117.924 -1.511 . . . . 43.950000000000003 111.746 -174.511 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . 0.496 HG11 ' SD ' ' A' ' 71' ' ' MET . 3.5 m -117.37 -6.27 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 N-CA-C 108.385 -0.969 . . . . 31.25 108.385 -168.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -78.7 75.7 5.21 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 106.85 -1.537 . . . . 34.340000000000003 106.85 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.05 -31.67 61.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 123.96 0.787 . . . . 31.809999999999999 112.142 -175.769 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -99.37 1.11 44.06 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 116.022 -2.271 . . . . 33.759999999999998 114.151 -175.271 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.98 18.36 64.44 Favored Glycine 0 C--O 1.253 1.314 0 O-C-N 124.047 0.842 . . . . 34.759999999999998 112.925 173.549 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -83.66 5.41 24.61 Favored 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 116.865 -1.934 . . . . 33.789999999999999 113.408 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.01 84.58 Favored Glycine 0 N--CA 1.468 0.805 0 O-C-N 124.158 0.911 . . . . 30.949999999999999 115.208 174.053 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 26' ' ' THR . 40.8 p -132.27 162.36 31.19 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 117.019 -1.872 . . . . 30.0 106.09 -179.546 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . 0.75 HD11 ' HB2' ' A' ' 68' ' ' PHE 0.366 0.4 OUTLIER -104.95 118.35 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.032 0 C-N-CA 116.423 -2.111 . . . . 24.75 112.732 173.784 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' OD2' ' HD2' ' A' ' 66' ' ' PRO . 42.1 p30 -90.38 170.07 10.54 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 106.762 -1.569 . . . . 29.300000000000001 106.762 178.279 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -53.98 -46.59 98.56 Favored Pre-proline 0 N--CA 1.4 -2.96 0 N-CA-C 114.942 1.46 . . . . 18.670000000000002 114.942 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' O ' ' CG2' ' A' ' 70' ' ' THR . 85.2 Cg_exo -58.56 -33.8 98.37 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 115.12 -2.787 . . . . 17.25 113.573 -179.433 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 67' ' ' GLU . . . . . 0.579 ' HB2' HD12 ' A' ' 63' ' ' ILE . 89.8 mt-10 -73.69 -42.36 61.39 Favored 'General case' 0 CA--C 1.476 -1.893 0 CA-C-N 118.856 0.753 . . . . 22.109999999999999 109.834 177.937 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' PHE . . . . . 0.75 ' HB2' HD11 ' A' ' 63' ' ' ILE . 72.9 t80 -55.06 -50.26 69.57 Favored 'General case' 0 C--O 1.192 -1.923 0 CA-C-N 114.573 -1.194 . . . . 22.739999999999998 112.192 172.827 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' LEU . . . . . 0.686 HD12 HD12 ' B' ' 69' ' ' LEU 0.269 0.0 OUTLIER -61.82 -44.17 97.39 Favored 'General case' 0 C--O 1.185 -2.342 0 N-CA-C 108.743 -0.836 . . . . 24.289999999999999 108.743 179.733 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 70' ' ' THR . . . . . 0.566 ' CG2' ' O ' ' A' ' 66' ' ' PRO 0.481 0.6 OUTLIER -60.26 -36.76 78.54 Favored 'General case' 0 C--O 1.19 -2.061 0 C-N-CA 114.77 -2.772 . . . . 23.879999999999999 112.767 177.548 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' A' A ' 71' ' ' MET . . . . . 0.762 ' HE3' ' CE ' ' A' ' 72' ' ' MET . 62.0 ttp -65.5 -48.52 72.28 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 106.118 -1.808 . . . . 24.899999999999999 106.118 179.146 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 72' ' ' MET . . . . . 0.762 ' CE ' ' HE3' ' A' ' 71' ' ' MET . 23.7 mmt -67.38 -37.81 83.74 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 117.46 -1.696 . . . . 29.469999999999999 109.987 -172.353 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.72 99.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.411 1.1 . . . . 18.940000000000001 108.458 -179.113 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 74' ' ' ARG . . . . . 0.623 HH22 ' HG3' ' A' ' 71' ' ' MET . 0.0 OUTLIER -75.19 -37.02 61.37 Favored 'General case' 0 N--CA 1.4 -2.944 0 C-N-CA 118.841 -1.144 . . . . 44.939999999999998 108.168 -175.886 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.85 -46.7 87.11 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.705 -1.22 . . . . 33.890000000000001 107.705 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.1 ttp -56.03 -45.97 78.99 Favored 'General case' 0 C--O 1.189 -2.126 0 C-N-CA 120.308 -0.557 . . . . 39.960000000000001 111.754 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -58.5 -47.13 85.13 Favored 'General case' 0 C--O 1.201 -1.474 0 N-CA-C 108.755 -0.831 . . . . 43.640000000000001 108.755 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -64.02 -48.79 74.97 Favored 'General case' 0 C--O 1.161 -3.563 0 N-CA-C 106.395 -1.706 . . . . 37.689999999999998 106.395 -171.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 24.6 m -52.87 -46.1 67.75 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 118.999 -0.524 . . . . 25.370000000000001 111.974 177.193 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -65.5 -42.25 92.31 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.882 -0.785 . . . . 42.009999999999998 108.882 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' SER . . . . . 0.656 ' O ' HD12 ' A' ' 85' ' ' ILE . 1.4 t -65.22 -39.0 92.17 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 114.975 -1.011 . . . . 30.5 110.249 177.5 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.56 -35.49 73.12 Favored 'General case' 0 C--N 1.311 -1.066 0 O-C-N 119.317 -2.114 . . . . 38.200000000000003 112.619 176.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 79' ' ' THR . 84.3 mt-10 -60.91 -45.35 94.98 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.636 -0.826 . . . . 44.229999999999997 109.907 175.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.67 -47.93 80.92 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 122.088 0.947 . . . . 44.789999999999999 112.377 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 81' ' ' SER . 5.2 mt -61.54 -42.39 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.755 0 C-N-CA 119.128 -1.029 . . . . 32.18 111.468 174.127 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.8 -44.17 81.67 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 107.039 -1.467 . . . . 48.57 107.039 177.08 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -53.4 -47.25 69.71 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.777 -0.823 . . . . 45.420000000000002 108.777 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.86 71.05 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.181 0.808 . . . . 32.450000000000003 113.181 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--O 1.247 0.971 0 N-CA-C 113.428 0.899 . . . . 33.5 113.428 175.953 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.717 0 N-CA-C 115.336 1.606 . . . . 56.710000000000001 115.336 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LEU . . . . . 0.46 ' O ' ' NE2' ' B' ' 8' ' ' GLN . 7.1 tp -60.05 -71.74 0.12 Allowed 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 117.307 -1.33 . . . . 51.700000000000003 112.328 168.317 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 5' ' ' THR . . . . . 1.25 ' CG2' ' N ' ' B' ' 6' ' ' GLU . 3.6 m -174.33 -106.5 0.0 OUTLIER 'General case' 0 C--O 1.268 2.066 1 N-CA-C 127.098 5.962 . . . . 54.140000000000001 127.098 -159.435 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 6' ' ' GLU . . . . . 1.25 ' N ' ' CG2' ' B' ' 5' ' ' THR . 3.6 tp10 103.36 -71.16 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 1 C-N-CA 133.452 4.701 . . . . 58.560000000000002 106.774 -154.264 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 7' ' ' GLU . . . . . 0.667 ' N ' HG23 ' B' ' 5' ' ' THR . 28.6 tt0 -70.81 -44.49 66.45 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 113.889 1.07 . . . . 52.75 113.889 -177.606 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 8' ' ' GLN . . . . . 1.238 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 0.7 OUTLIER -55.46 -46.57 76.81 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 122.01 0.91 . . . . 48.710000000000001 109.559 173.634 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 9' ' ' ILE . . . . . 1.064 ' H ' HG21 ' B' ' 5' ' ' THR . 88.3 mt -64.14 -45.28 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.86 0 N-CA-C 108.147 -1.057 . . . . 30.140000000000001 108.147 -178.818 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.08 -43.6 87.12 Favored 'General case' 0 C--O 1.186 -2.285 0 O-C-N 124.011 0.82 . . . . 28.93 109.906 175.049 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -69.95 -32.01 70.05 Favored 'General case' 0 C--O 1.181 -2.514 0 N-CA-C 108.334 -0.987 . . . . 43.009999999999998 108.334 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -68.52 -32.57 72.63 Favored 'General case' 0 CA--C 1.44 -3.27 0 C-N-CA 116.242 -2.183 . . . . 24.289999999999999 109.422 179.43 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -74.34 -39.27 62.92 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 124.51 1.131 . . . . 43.560000000000002 109.796 -174.706 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.31 -41.73 98.95 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 107.205 -1.406 . . . . 44.93 107.205 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' ALA . . . . . 0.498 ' HA ' HD22 ' B' ' 18' ' ' LEU . . . -64.01 -41.75 97.37 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.301 1.048 . . . . 24.890000000000001 109.701 -179.695 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 16' ' ' PHE . . . . . 0.409 ' HD2' ' CG ' ' B' ' 68' ' ' PHE . 85.4 t80 -51.02 -46.62 61.63 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.47 -0.787 . . . . 22.5 110.473 176.678 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -61.75 -23.92 66.48 Favored 'General case' 0 CA--C 1.481 -1.708 0 CA-C-N 115.63 -0.713 . . . . 32.68 112.129 -177.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . 0.55 HD13 ' O ' ' B' ' 109' ' ' HOH . 0.0 OUTLIER -66.16 -30.67 71.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 124.363 1.039 . . . . 32.079999999999998 110.621 175.236 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 19' ' ' PHE . . . . . 0.591 ' O ' ' HB3' ' B' ' 31' ' ' GLU . 52.3 m-85 -93.98 -40.68 9.98 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 120.115 -0.634 . . . . 28.18 110.384 178.37 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.44 71.17 10.3 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.886 -0.783 . . . . 31.870000000000001 108.886 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -67.16 -36.43 81.8 Favored 'General case' 0 C--O 1.248 0.982 0 N-CA-C 113.711 1.004 . . . . 44.060000000000002 113.711 -171.285 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -76.54 3.43 11.39 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 119.384 -0.927 . . . . 42.450000000000003 111.949 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.32 22.1 55.27 Favored Glycine 0 C--O 1.213 -1.186 0 CA-C-O 119.012 -0.882 . . . . 36.740000000000002 113.557 176.882 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -79.42 0.52 28.99 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.212 1.506 . . . . 40.25 113.583 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.57 4.64 73.0 Favored Glycine 0 C--O 1.202 -1.894 0 N-CA-C 109.794 -1.322 . . . . 29.640000000000001 109.794 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 46.2 p -133.13 149.02 52.12 Favored 'General case' 0 C--N 1.314 -0.976 0 O-C-N 121.776 -0.838 . . . . 31.190000000000001 109.864 177.048 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -106.21 125.46 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 103.096 -2.928 . . . . 26.600000000000001 103.096 172.783 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 28' ' ' THR . . . . . 0.565 ' HB ' ' NZ ' ' B' ' 30' ' ' LYS . 81.9 p -88.82 171.33 10.02 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.874 0.845 . . . . 31.949999999999999 111.398 173.73 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 29' ' ' THR . . . . . 0.83 HG22 HG13 ' B' ' 52' ' ' ILE . 31.1 p -62.39 -37.3 85.24 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 106.452 -1.684 . . . . 37.539999999999999 106.452 174.332 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 30' ' ' LYS . . . . . 0.565 ' NZ ' ' HB ' ' B' ' 28' ' ' THR . 6.7 mtmm -61.37 -49.05 78.49 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 118.872 -0.585 . . . . 43.689999999999998 110.295 178.422 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 31' ' ' GLU . . . . . 0.591 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 36.8 mt-10 -59.8 -44.02 94.15 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 117.908 -1.517 . . . . 29.899999999999999 111.981 176.998 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 32' ' ' LEU . . . . . 0.676 ' O ' ' HG2' ' B' ' 36' ' ' MET . 38.5 tp -57.19 -47.31 81.57 Favored 'General case' 0 C--O 1.206 -1.223 0 O-C-N 124.209 0.943 . . . . 25.739999999999998 109.134 177.866 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 33' ' ' GLY . . . . . 0.623 ' CA ' HD21 ' B' ' 48' ' ' LEU . . . -60.26 -45.53 95.92 Favored Glycine 0 C--O 1.208 -1.514 0 CA-C-O 118.399 -1.223 . . . . 33.170000000000002 113.041 177.796 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 34' ' ' THR . . . . . 0.489 HG22 ' O ' ' B' ' 30' ' ' LYS 0.327 0.6 OUTLIER -63.7 -40.93 98.01 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 118.548 1.174 . . . . 36.32 110.115 176.316 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 46.9 t -65.71 -51.86 57.16 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.961 0 C-N-CA 116.403 -2.119 . . . . 31.170000000000002 110.996 173.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 36' ' ' MET . . . . . 0.676 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 95.0 mmm -50.57 -46.51 57.74 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.625 -0.672 . . . . 41.740000000000002 111.323 177.088 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 37' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' B' ' 41' ' ' GLN . 80.4 mtm-85 -62.78 -48.57 78.57 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.298 -0.961 . . . . 46.990000000000002 111.958 -179.007 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -29.35 1.79 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.605 1.162 . . . . 38.520000000000003 113.955 170.408 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 48.9 mt -89.99 6.73 40.91 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 116.074 -0.512 . . . . 37.530000000000001 110.433 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.32 1.73 89.34 Favored Glycine 0 C--O 1.238 0.404 0 N-CA-C 107.957 -2.057 . . . . 43.640000000000001 107.957 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 41' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' B' ' 37' ' ' ARG . 54.7 mm-40 -79.57 159.1 26.98 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 123.047 1.403 . . . . 49.689999999999998 108.233 173.775 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.79 69.5 30.17 Favored Pre-proline 0 C--N 1.313 -0.992 0 N-CA-C 104.339 -2.467 . . . . 51.460000000000001 104.339 -176.045 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.03 145.37 15.49 Favored 'Trans proline' 0 N--CA 1.436 -1.9 0 N-CA-C 108.758 -1.285 . . . . 47.460000000000001 108.758 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 37.6 p -67.59 167.37 13.12 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.954 -1.021 . . . . 49.280000000000001 109.018 172.742 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -57.98 4.62 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 115.401 -0.818 . . . . 57.670000000000002 110.49 167.482 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.64 70.39 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 114.508 1.299 . . . . 41.780000000000001 114.508 -177.995 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 47' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' B' ' 51' ' ' MET . 5.8 mt-10 -68.14 -46.21 71.46 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 119.23 -0.988 . . . . 41.990000000000002 109.114 176.139 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 48' ' ' LEU . . . . . 0.623 HD21 ' CA ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -58.0 -46.32 85.43 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-O 122.964 1.364 . . . . 36.32 110.383 176.047 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 49' ' ' GLN . . . . . 0.653 ' OE1' HG21 ' B' ' 29' ' ' THR . 67.6 tp60 -64.32 -41.52 96.77 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 113.479 -1.691 . . . . 40.359999999999999 111.943 -179.008 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 50' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 12.8 t70 -58.51 -44.68 89.59 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.357 -0.979 . . . . 45.0 108.357 176.381 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 51' ' ' MET . . . . . 0.529 ' HG3' ' O ' ' B' ' 47' ' ' GLU . 34.9 mtt -65.73 -43.99 87.37 Favored 'General case' 0 CA--C 1.48 -1.75 0 N-CA-C 107.34 -1.355 . . . . 34.719999999999999 107.34 -175.662 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 52' ' ' ILE . . . . . 0.83 HG13 HG22 ' B' ' 29' ' ' THR . 9.4 mm -59.03 -46.29 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.722 0.772 . . . . 28.059999999999999 110.149 175.706 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -68.45 -35.62 77.85 Favored 'General case' 0 CA--C 1.476 -1.869 0 CA-C-N 115.4 -0.818 . . . . 30.550000000000001 110.151 -168.522 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 54' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 50' ' ' ASP . 6.3 mm-40 -68.24 -26.98 65.96 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 116.601 -2.039 . . . . 51.329999999999998 111.515 -175.483 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 55' ' ' VAL . . . . . 0.5 HG11 ' SD ' ' B' ' 71' ' ' MET . 25.6 m -111.87 -3.73 10.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 C-N-CA 119.141 -1.024 . . . . 28.670000000000002 111.755 -178.442 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -79.96 78.79 6.56 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 105.822 -1.918 . . . . 30.879999999999999 105.822 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.69 68.66 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-N 115.2 -0.909 . . . . 30.690000000000001 112.869 -170.369 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -104.43 14.85 29.35 Favored 'General case' 0 C--O 1.203 -1.388 0 C-N-CA 118.795 -1.162 . . . . 33.259999999999998 111.21 179.021 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 45.93 31.49 4.2 Favored Glycine 0 C--O 1.209 -1.424 0 C-N-CA 124.982 1.277 . . . . 32.920000000000002 115.723 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -86.85 14.3 7.47 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 116.262 -2.175 . . . . 31.5 109.511 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.47 -16.79 47.57 Favored Glycine 0 C--O 1.205 -1.66 0 C-N-CA 119.213 -1.47 . . . . 31.989999999999998 113.399 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 56.7 p -129.87 164.05 25.0 Favored 'General case' 0 CA--C 1.488 -1.433 0 C-N-CA 117.266 -1.773 . . . . 27.579999999999998 108.459 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 63' ' ' ILE . . . . . 0.771 HD11 ' HB2' ' B' ' 68' ' ' PHE . 0.4 OUTLIER -106.12 121.78 58.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 115.598 -2.441 . . . . 26.640000000000001 112.16 -179.133 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -93.68 176.93 6.18 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 105.408 -2.071 . . . . 34.530000000000001 105.408 -176.6 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -64.1 -39.32 43.0 Favored Pre-proline 0 N--CA 1.407 -2.625 0 C-N-CA 116.538 -2.065 . . . . 21.109999999999999 113.118 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 66' ' ' PRO . . . . . 0.626 ' O ' HG23 ' B' ' 70' ' ' THR . 55.8 Cg_exo -57.41 -40.26 82.86 Favored 'Trans proline' 0 CA--C 1.485 -1.952 0 C-N-CA 113.445 -3.903 . . . . 17.210000000000001 115.434 176.034 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -70.66 -39.07 73.8 Favored 'General case' 0 C--O 1.193 -1.878 0 C-N-CA 119.21 -0.996 . . . . 21.960000000000001 111.991 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 68' ' ' PHE . . . . . 0.771 ' HB2' HD11 ' B' ' 63' ' ' ILE . 81.2 t80 -58.22 -48.83 79.13 Favored 'General case' 0 C--O 1.2 -1.54 0 C-N-CA 119.079 -1.048 . . . . 26.18 110.006 174.952 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 69' ' ' LEU . . . . . 0.686 HD12 HD12 ' A' ' 69' ' ' LEU 0.291 0.0 OUTLIER -62.69 -43.15 99.54 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.709 -1.219 . . . . 22.670000000000002 107.709 -175.758 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 70' ' ' THR . . . . . 0.626 HG23 ' O ' ' B' ' 66' ' ' PRO 0.61 0.5 OUTLIER -54.09 -49.33 69.34 Favored 'General case' 0 C--O 1.201 -1.491 0 C-N-CA 118.57 -1.252 . . . . 23.550000000000001 111.773 173.289 . . . . . . . . 4 4 . 1 . 001 ecloud build full ' B' B ' 71' ' ' MET . . . . . 0.651 ' HE2' ' HE2' ' B' ' 72' ' ' MET . 54.1 ttp -57.76 -49.41 76.66 Favored 'General case' 0 C--O 1.183 -2.418 0 C-N-CA 118.987 -1.085 . . . . 23.829999999999998 110.166 177.523 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 72' ' ' MET . . . . . 0.651 ' HE2' ' HE2' ' B' ' 71' ' ' MET . 18.6 mmt -70.96 -41.57 70.9 Favored 'General case' 0 C--O 1.2 -1.551 0 N-CA-C 110.02 -0.363 . . . . 27.829999999999998 110.02 -171.653 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.48 -37.17 84.51 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 107.53 -1.285 . . . . 22.059999999999999 107.53 178.707 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 74' ' ' ARG . . . . . 0.704 ' HD3' ' O ' ' B' ' 107' ' ' HOH . 40.4 ttp-105 -67.33 -42.5 83.49 Favored 'General case' 0 CA--C 1.57 1.73 0 CA-C-O 122.565 1.174 . . . . 44.109999999999999 110.502 179.79 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -60.41 -41.94 94.93 Favored 'General case' 0 N--CA 1.412 -2.345 0 O-C-N 121.047 -1.033 . . . . 28.140000000000001 109.628 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 76' ' ' MET . . . . . . . . . . . . . 32.8 ttp -64.64 -51.74 61.04 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 107.227 -1.397 . . . . 35.890000000000001 107.227 -175.748 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 77' ' ' LYS . . . . . 0.57 ' HE2' ' O ' ' B' ' 77' ' ' LYS . 0.0 OUTLIER -59.09 -40.79 86.38 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 114.527 1.306 . . . . 43.090000000000003 114.527 174.707 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -62.96 -44.88 94.84 Favored 'General case' 0 C--O 1.192 -1.943 0 O-C-N 121.037 -1.039 . . . . 29.41 111.332 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 96.9 m -56.79 -53.65 55.4 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 124.244 0.965 . . . . 27.91 111.265 175.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . 0.273 0.3 OUTLIER -53.77 138.22 36.15 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 101.695 -3.446 . . . . 43.57 101.695 172.813 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 81' ' ' SER . . . . . 0.633 ' HA ' ' HB3' ' B' ' 84' ' ' GLU . 3.5 t 96.34 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.268 -2.941 2 C-N-CA 100.759 -8.376 . . . . 25.829999999999998 111.972 171.285 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -64.41 -36.26 83.58 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 117.046 -1.862 . . . . 37.32 107.465 158.745 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 83' ' ' GLU . . . . . 0.543 ' OE2' ' HD3' ' B' ' 86' ' ' ARG . 1.8 mm-40 -72.99 -37.55 66.95 Favored 'General case' 0 N--CA 1.397 -3.089 0 CA-C-N 114.586 -1.188 . . . . 49.25 110.363 177.645 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 84' ' ' GLU . . . . . 0.633 ' HB3' ' HA ' ' B' ' 81' ' ' SER . 23.8 tt0 -54.23 -54.31 41.76 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 125.332 1.453 . . . . 43.5 111.162 169.099 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.16 -35.98 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.889 0 O-C-N 121.656 -0.653 . . . . 27.91 111.261 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 86' ' ' ARG . . . . . 0.543 ' HD3' ' OE2' ' B' ' 83' ' ' GLU . 0.1 OUTLIER -55.58 -41.95 74.06 Favored 'General case' 0 C--O 1.193 -1.904 0 N-CA-C 108.551 -0.907 . . . . 51.840000000000003 108.551 174.314 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.07 -38.49 79.09 Favored 'General case' 0 CA--C 1.485 -1.535 0 C-N-CA 123.015 0.526 . . . . 43.850000000000001 109.731 -175.84 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.84 96.75 Favored 'General case' 0 N--CA 1.4 -2.952 0 O-C-N 124.773 1.295 . . . . 27.34 109.305 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 89' ' ' PHE . . . . . 0.783 ' C ' ' O ' ' B' ' 124' ' ' HOH . 5.9 m-85 . . . . . 0 C--O 1.261 1.689 0 CA-C-N 119.136 0.88 . . . . 30.670000000000002 111.788 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 91' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 97' ' ' HOH . . . . . 0.89 ' O ' ' HE3' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 101' ' ' HOH . . . . . 0.895 ' O ' HG21 ' A' ' 28' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 113' ' ' HOH . . . . . 0.764 ' O ' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 115' ' ' HOH . . . . . 0.434 ' O ' ' NE ' ' A' ' 74' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 93' ' ' HOH . . . . . 0.549 ' O ' HG21 ' A' ' 70' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 97' ' ' HOH . . . . . 0.475 ' O ' HG21 ' B' ' 70' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 107' ' ' HOH . . . . . 0.704 ' O ' ' HD3' ' B' ' 74' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 109' ' ' HOH . . . . . 0.55 ' O ' HD13 ' B' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 112' ' ' HOH . . . . . 0.415 ' O ' ' NH1' ' B' ' 86' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 123' ' ' HOH . . . . . 0.555 ' O ' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 124' ' ' HOH . . . . . 0.783 ' O ' ' C ' ' B' ' 89' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.508 2.449 0 N-CA-C 117.206 2.298 . . . . 61.640000000000001 117.206 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.835 ' O ' ' NE2' ' A' ' 8' ' ' GLN . 6.6 tp -90.27 -27.91 19.14 Favored 'General case' 0 C--O 1.223 -0.313 0 CA-C-O 119.09 -0.481 . . . . 57.549999999999997 111.317 171.224 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' THR . . . . . 0.421 ' O ' HG23 ' A' ' 9' ' ' ILE 0.284 0.1 OUTLIER 72.65 140.42 0.06 Allowed 'General case' 0 N--CA 1.493 1.7 0 N-CA-C 116.969 2.211 . . . . 53.939999999999998 116.969 174.965 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.764 ' HB2' ' O ' ' A' ' 113' ' ' HOH . 21.7 tt0 -58.48 -45.38 88.78 Favored 'General case' 0 C--O 1.243 0.714 0 CA-C-N 114.79 -1.095 . . . . 53.869999999999997 112.603 -174.656 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -70.36 -39.35 74.7 Favored 'General case' 0 C--O 1.198 -1.608 0 N-CA-C 107.177 -1.416 . . . . 57.170000000000002 107.177 -170.01 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.835 ' NE2' ' O ' ' A' ' 4' ' ' LEU . 15.3 mt-30 -62.65 -42.61 99.7 Favored 'General case' 0 N--CA 1.429 -1.507 0 C-N-CA 122.905 0.482 . . . . 48.969999999999999 110.372 175.191 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.508 ' CD1' HG22 ' B' ' 9' ' ' ILE . 0.0 OUTLIER -66.61 -40.65 86.76 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 118.48 -1.288 . . . . 35.770000000000003 107.886 179.134 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' N ' HG12 ' A' ' 9' ' ' ILE . . . -57.9 -40.23 79.81 Favored 'General case' 0 C--O 1.21 -0.983 0 CA-C-N 116.327 -0.397 . . . . 30.449999999999999 111.657 173.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.95 -37.56 72.84 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.724 0.773 . . . . 51.899999999999999 109.036 179.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 72' ' ' MET . 23.1 m-85 -60.01 -44.75 94.37 Favored 'General case' 0 C--O 1.18 -2.557 0 CA-C-O 118.327 -0.844 . . . . 30.149999999999999 112.885 168.88 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -40.12 83.61 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 120.666 1.576 . . . . 44.649999999999999 111.739 177.649 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -68.23 -43.18 78.5 Favored 'General case' 0 C--O 1.198 -1.651 0 N-CA-C 107.142 -1.429 . . . . 47.299999999999997 107.142 -179.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.47 96.28 Favored 'General case' 0 C--O 1.191 -1.991 0 C-N-CA 117.861 -1.536 . . . . 26.559999999999999 110.576 177.754 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HD2' ' CG ' ' A' ' 68' ' ' PHE . 78.3 t80 -54.44 -42.73 70.91 Favored 'General case' 0 N--CA 1.428 -1.553 0 CA-C-N 116.389 -0.368 . . . . 22.34 110.614 178.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 79.4 p -68.98 -16.79 63.82 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 118.986 -1.086 . . . . 32.979999999999997 111.932 -178.432 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 18' ' ' LEU . 83.4 mt -68.89 -22.88 64.16 Favored 'General case' 0 CA--C 1.498 -1.023 0 C-N-CA 119.781 -0.768 . . . . 24.600000000000001 109.365 175.158 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' CZ ' HG11 ' A' ' 35' ' ' VAL . 42.5 m-85 -102.32 -41.36 6.37 Favored 'General case' 0 CA--C 1.461 -2.457 0 N-CA-C 109.024 -0.732 . . . . 28.190000000000001 109.024 179.92 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -82.69 75.83 9.58 Favored 'General case' 0 N--CA 1.418 -2.034 0 C-N-CA 118.906 -1.118 . . . . 30.48 108.314 179.326 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.89 ' HE3' ' O ' ' A' ' 97' ' ' HOH . 15.5 mtmt -71.35 -39.14 71.5 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 114.869 1.433 . . . . 44.32 114.869 -169.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 51.3 p30 -76.82 7.14 5.05 Favored 'General case' 0 C--O 1.245 0.849 0 C-N-CA 120.531 -0.468 . . . . 41.380000000000003 111.724 173.601 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.64 19.17 54.1 Favored Glycine 0 CA--C 1.506 -0.501 0 C-N-CA 120.591 -0.814 . . . . 36.899999999999999 111.681 171.569 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -82.68 -0.92 49.6 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 120.086 -0.646 . . . . 35.799999999999997 111.745 -176.075 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.93 4.05 67.52 Favored Glycine 0 C--O 1.199 -2.081 0 C-N-CA 120.174 -1.012 . . . . 29.800000000000001 114.465 174.579 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 62' ' ' THR . 30.5 p -135.53 150.83 49.85 Favored 'General case' 0 N--CA 1.42 -1.973 0 N-CA-C 106.727 -1.583 . . . . 30.640000000000001 106.727 -177.692 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 63' ' ' ILE . 60.3 mt -109.73 128.02 66.12 Favored 'Isoleucine or valine' 0 N--CA 1.407 -2.586 0 N-CA-C 104.429 -2.434 . . . . 25.469999999999999 104.429 169.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' THR . . . . . 0.895 HG21 ' O ' ' A' ' 101' ' ' HOH 0.389 0.4 OUTLIER -109.57 160.98 15.8 Favored 'General case' 0 N--CA 1.408 -2.57 1 N-CA-C 99.811 -4.144 . . . . 33.700000000000003 99.811 -168.448 . . . . . . . . 5 4 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 63.5 p -58.49 -33.58 69.97 Favored 'General case' 0 C--O 1.211 -0.938 0 CA-C-O 118.846 -0.597 . . . . 33.280000000000001 112.525 178.05 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.747 ' HZ3' ' H ' ' A' ' 30' ' ' LYS . 0.0 OUTLIER -56.42 -49.94 73.08 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 122.8 1.286 . . . . 40.659999999999997 110.61 174.131 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.741 ' H ' HG22 ' A' ' 28' ' ' THR . 56.7 mt-10 -67.36 -42.19 83.86 Favored 'General case' 0 N--CA 1.42 -1.931 0 CA-C-N 114.596 -1.184 . . . . 35.25 109.343 -175.551 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.632 ' O ' ' HG2' ' A' ' 36' ' ' MET . 18.2 tp -63.8 -42.53 97.7 Favored 'General case' 0 C--O 1.259 1.563 0 C-N-CA 119.74 -0.784 . . . . 24.149999999999999 109.025 176.549 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.47 -44.93 96.9 Favored Glycine 0 C--O 1.182 -3.113 0 N-CA-C 106.285 -2.726 . . . . 23.32 106.285 -179.194 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' THR . . . . . 0.701 HG22 ' O ' ' A' ' 30' ' ' LYS 0.515 0.2 OUTLIER -62.51 -44.27 96.78 Favored 'General case' 0 CA--C 1.511 -0.556 0 C-N-CA 116.54 -2.064 . . . . 31.940000000000001 112.014 -177.148 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.466 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 39.4 t -62.68 -46.22 96.9 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.331 0 C-N-CA 117.745 -1.582 . . . . 26.18 110.243 178.117 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' MET . . . . . 0.632 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 87.2 mmm -53.31 -48.01 68.78 Favored 'General case' 0 CA--C 1.503 -0.864 0 O-C-N 123.838 0.711 . . . . 45.93 111.874 -178.533 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 92.1 mtm-85 -64.35 -40.75 96.48 Favored 'General case' 0 C--O 1.248 0.981 0 N-CA-C 114.607 1.336 . . . . 42.25 114.607 175.003 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 p -57.68 -25.4 60.21 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 123.484 1.611 . . . . 37.609999999999999 111.706 174.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.3 mt -86.02 6.79 27.17 Favored 'General case' 0 N--CA 1.432 -1.359 0 CA-C-N 114.658 -1.156 . . . . 36.990000000000002 110.306 174.473 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.73 8.02 76.07 Favored Glycine 0 N--CA 1.469 0.884 0 N-CA-C 115.816 1.086 . . . . 42.770000000000003 115.816 -177.609 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.461 ' HB3' ' HD3' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -82.4 168.6 17.33 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 105.054 -2.202 . . . . 50.729999999999997 105.054 175.423 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -136.76 69.18 59.09 Favored Pre-proline 0 CA--C 1.486 -1.504 0 C-N-CA 117.738 -1.585 . . . . 50.619999999999997 108.585 171.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.461 ' HD3' ' HB3' ' A' ' 41' ' ' GLN . 43.6 Cg_endo -62.99 148.91 92.98 Favored 'Trans proline' 0 C--O 1.257 1.451 0 C-N-CA 115.575 -2.484 . . . . 43.539999999999999 110.599 178.162 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 61.6 p -80.64 159.32 25.39 Favored 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 106.242 -1.762 . . . . 40.270000000000003 106.242 170.761 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -50.13 -38.59 39.79 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.217 -0.29 . . . . 52.539999999999999 110.217 171.287 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.45 -43.65 93.57 Favored 'General case' 0 C--O 1.21 -0.978 0 N-CA-C 107.188 -1.412 . . . . 34.049999999999997 107.188 -175.231 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.446 ' OE1' ' HA ' ' A' ' 43' ' ' PRO . 52.0 mt-10 -63.34 -47.79 80.69 Favored 'General case' 0 C--O 1.185 -2.314 0 CA-C-N 116.414 -0.357 . . . . 48.219999999999999 110.865 -178.887 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.448 HD13 ' HB2' ' A' ' 43' ' ' PRO . 0.0 OUTLIER -59.39 -51.23 70.8 Favored 'General case' 0 C--N 1.318 -0.798 0 C-N-CA 124.238 1.015 . . . . 29.75 109.92 178.883 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.0 tp-100 -56.12 -47.57 77.86 Favored 'General case' 0 N--CA 1.414 -2.238 0 CA-C-N 115.181 -0.918 . . . . 44.140000000000001 109.055 178.441 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.632 ' O ' ' HG3' ' A' ' 54' ' ' GLU . 6.4 t70 -63.61 -39.57 94.7 Favored 'General case' 0 N--CA 1.411 -2.417 0 C-N-CA 118.891 -1.124 . . . . 41.189999999999998 112.087 178.264 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 45.4 mtp -61.29 -48.89 79.32 Favored 'General case' 0 C--O 1.188 -2.157 0 C-N-CA 118.175 -1.41 . . . . 36.890000000000001 109.576 175.018 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.562 HD12 HG23 ' A' ' 63' ' ' ILE . 7.1 mm -57.62 -41.41 79.15 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.711 0 C-N-CA 118.788 -1.165 . . . . 30.800000000000001 110.055 178.214 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -67.03 -35.94 80.99 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 110.332 -0.248 . . . . 38.240000000000002 110.332 -171.426 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.632 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -65.28 -25.62 67.72 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 117.924 -1.511 . . . . 43.950000000000003 111.746 -174.511 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.496 HG11 ' SD ' ' A' ' 71' ' ' MET . 3.5 m -117.37 -6.27 11.7 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.669 0 N-CA-C 108.385 -0.969 . . . . 31.25 108.385 -168.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -78.7 75.7 5.21 Favored 'General case' 0 N--CA 1.427 -1.617 0 N-CA-C 106.85 -1.537 . . . . 34.340000000000003 106.85 179.211 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -55.05 -31.67 61.3 Favored 'General case' 0 C--O 1.239 0.552 0 O-C-N 123.96 0.787 . . . . 31.809999999999999 112.142 -175.769 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 31.8 p-10 -99.37 1.11 44.06 Favored 'General case' 0 N--CA 1.429 -1.5 0 C-N-CA 116.022 -2.271 . . . . 33.759999999999998 114.151 -175.271 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.98 18.36 64.44 Favored Glycine 0 C--O 1.253 1.314 0 O-C-N 124.047 0.842 . . . . 34.759999999999998 112.925 173.549 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -83.66 5.41 24.61 Favored 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 116.865 -1.934 . . . . 33.789999999999999 113.408 178.762 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.01 84.58 Favored Glycine 0 N--CA 1.468 0.805 0 O-C-N 124.158 0.911 . . . . 30.949999999999999 115.208 174.053 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' THR . . . . . 0.428 ' HB ' ' HB ' ' A' ' 26' ' ' THR . 40.8 p -132.27 162.36 31.19 Favored 'General case' 0 N--CA 1.423 -1.821 0 C-N-CA 117.019 -1.872 . . . . 30.0 106.09 -179.546 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.75 HD11 ' HB2' ' A' ' 68' ' ' PHE 0.366 0.4 OUTLIER -104.95 118.35 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.398 -3.032 0 C-N-CA 116.423 -2.111 . . . . 24.75 112.732 173.784 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.408 ' OD2' ' HD2' ' A' ' 66' ' ' PRO . 42.1 p30 -90.38 170.07 10.54 Favored 'General case' 0 N--CA 1.422 -1.845 0 N-CA-C 106.762 -1.569 . . . . 29.300000000000001 106.762 178.279 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -53.98 -46.59 98.56 Favored Pre-proline 0 N--CA 1.4 -2.96 0 N-CA-C 114.942 1.46 . . . . 18.670000000000002 114.942 -178.337 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.566 ' O ' ' CG2' ' A' ' 70' ' ' THR . 85.2 Cg_exo -58.56 -33.8 98.37 Favored 'Trans proline' 0 N--CA 1.459 -0.551 0 C-N-CA 115.12 -2.787 . . . . 17.25 113.573 -179.433 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.579 ' HB2' HD12 ' A' ' 63' ' ' ILE . 89.8 mt-10 -73.69 -42.36 61.39 Favored 'General case' 0 CA--C 1.476 -1.893 0 CA-C-N 118.856 0.753 . . . . 22.109999999999999 109.834 177.937 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.75 ' HB2' HD11 ' A' ' 63' ' ' ILE . 72.9 t80 -55.06 -50.26 69.57 Favored 'General case' 0 C--O 1.192 -1.923 0 CA-C-N 114.573 -1.194 . . . . 22.739999999999998 112.192 172.827 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.686 HD12 HD12 ' B' ' 69' ' ' LEU 0.269 0.0 OUTLIER -61.82 -44.17 97.39 Favored 'General case' 0 C--O 1.185 -2.342 0 N-CA-C 108.743 -0.836 . . . . 24.289999999999999 108.743 179.733 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' THR . . . . . 0.566 ' CG2' ' O ' ' A' ' 66' ' ' PRO 0.481 0.6 OUTLIER -60.26 -36.76 78.54 Favored 'General case' 0 C--O 1.19 -2.061 0 C-N-CA 114.77 -2.772 . . . . 23.879999999999999 112.767 177.548 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' MET . . . . . 0.762 ' HE3' ' CE ' ' A' ' 72' ' ' MET . 62.0 ttp -65.5 -48.52 72.28 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 106.118 -1.808 . . . . 24.899999999999999 106.118 179.146 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' MET . . . . . 0.762 ' CE ' ' HE3' ' A' ' 71' ' ' MET . 23.7 mmt -67.38 -37.81 83.74 Favored 'General case' 0 CA--C 1.469 -2.149 0 C-N-CA 117.46 -1.696 . . . . 29.469999999999999 109.987 -172.353 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.92 -42.72 99.42 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 122.411 1.1 . . . . 18.940000000000001 108.458 -179.113 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.623 HH22 ' HG3' ' A' ' 71' ' ' MET . 0.0 OUTLIER -75.19 -37.02 61.37 Favored 'General case' 0 N--CA 1.4 -2.944 0 C-N-CA 118.841 -1.144 . . . . 44.939999999999998 108.168 -175.886 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -58.85 -46.7 87.11 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 107.705 -1.22 . . . . 33.890000000000001 107.705 175.195 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.1 ttp -56.03 -45.97 78.99 Favored 'General case' 0 C--O 1.189 -2.126 0 C-N-CA 120.308 -0.557 . . . . 39.960000000000001 111.754 176.373 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -58.5 -47.13 85.13 Favored 'General case' 0 C--O 1.201 -1.474 0 N-CA-C 108.755 -0.831 . . . . 43.640000000000001 108.755 176.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -64.02 -48.79 74.97 Favored 'General case' 0 C--O 1.161 -3.563 0 N-CA-C 106.395 -1.706 . . . . 37.689999999999998 106.395 -171.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' THR . . . . . 0.404 ' O ' ' HG3' ' A' ' 83' ' ' GLU . 24.6 m -52.87 -46.1 67.75 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-O 118.999 -0.524 . . . . 25.370000000000001 111.974 177.193 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -65.5 -42.25 92.31 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 108.882 -0.785 . . . . 42.009999999999998 108.882 -178.519 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' SER . . . . . 0.656 ' O ' HD12 ' A' ' 85' ' ' ILE . 1.4 t -65.22 -39.0 92.17 Favored 'General case' 0 N--CA 1.405 -2.701 0 CA-C-N 114.975 -1.011 . . . . 30.5 110.249 177.5 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -70.56 -35.49 73.12 Favored 'General case' 0 C--N 1.311 -1.066 0 O-C-N 119.317 -2.114 . . . . 38.200000000000003 112.619 176.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 79' ' ' THR . 84.3 mt-10 -60.91 -45.35 94.98 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 119.636 -0.826 . . . . 44.229999999999997 109.907 175.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -57.67 -47.93 80.92 Favored 'General case' 0 N--CA 1.442 -0.872 0 CA-C-O 122.088 0.947 . . . . 44.789999999999999 112.377 175.405 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.656 HD12 ' O ' ' A' ' 81' ' ' SER . 5.2 mt -61.54 -42.39 93.84 Favored 'Isoleucine or valine' 0 N--CA 1.404 -2.755 0 C-N-CA 119.128 -1.029 . . . . 32.18 111.468 174.127 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -56.8 -44.17 81.67 Favored 'General case' 0 N--CA 1.44 -0.928 0 N-CA-C 107.039 -1.467 . . . . 48.57 107.039 177.08 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -53.4 -47.25 69.71 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.777 -0.823 . . . . 45.420000000000002 108.777 179.223 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -70.86 -33.86 71.05 Favored 'General case' 0 C--O 1.217 -0.612 0 N-CA-C 113.181 0.808 . . . . 32.450000000000003 113.181 178.063 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--O 1.247 0.971 0 N-CA-C 113.428 0.899 . . . . 33.5 113.428 175.953 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' GLN . . . . . 0.672 ' N ' HE21 ' B' ' 3' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.717 0 N-CA-C 115.336 1.606 . . . . 56.710000000000001 115.336 . . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.46 ' O ' ' NE2' ' B' ' 8' ' ' GLN . 7.1 tp -60.05 -71.74 0.12 Allowed 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 117.307 -1.33 . . . . 51.700000000000003 112.328 168.317 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' THR . . . . . 1.25 ' CG2' ' N ' ' B' ' 6' ' ' GLU . 3.6 m -174.33 -106.5 0.0 OUTLIER 'General case' 0 C--O 1.268 2.066 1 N-CA-C 127.098 5.962 . . . . 54.140000000000001 127.098 -159.435 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' GLU . . . . . 1.25 ' N ' ' CG2' ' B' ' 5' ' ' THR . 3.6 tp10 103.36 -71.16 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.913 1 C-N-CA 133.452 4.701 . . . . 58.560000000000002 106.774 -154.264 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.667 ' N ' HG23 ' B' ' 5' ' ' THR . 28.6 tt0 -70.81 -44.49 66.45 Favored 'General case' 0 C--O 1.208 -1.122 0 N-CA-C 113.889 1.07 . . . . 52.75 113.889 -177.606 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' GLN . . . . . 1.238 ' HB2' ' OG1' ' B' ' 5' ' ' THR . 0.7 OUTLIER -55.46 -46.57 76.81 Favored 'General case' 0 C--O 1.211 -0.939 0 CA-C-O 122.01 0.91 . . . . 48.710000000000001 109.559 173.634 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' ILE . . . . . 1.064 ' H ' HG21 ' B' ' 5' ' ' THR . 88.3 mt -64.14 -45.28 96.9 Favored 'Isoleucine or valine' 0 CA--C 1.477 -1.86 0 N-CA-C 108.147 -1.057 . . . . 30.140000000000001 108.147 -178.818 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.08 -43.6 87.12 Favored 'General case' 0 C--O 1.186 -2.285 0 O-C-N 124.011 0.82 . . . . 28.93 109.906 175.049 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 71.8 mt-10 -69.95 -32.01 70.05 Favored 'General case' 0 C--O 1.181 -2.514 0 N-CA-C 108.334 -0.987 . . . . 43.009999999999998 108.334 179.826 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -68.52 -32.57 72.63 Favored 'General case' 0 CA--C 1.44 -3.27 0 C-N-CA 116.242 -2.183 . . . . 24.289999999999999 109.422 179.43 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 21.4 tptt -74.34 -39.27 62.92 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 124.51 1.131 . . . . 43.560000000000002 109.796 -174.706 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -63.31 -41.73 98.95 Favored 'General case' 0 C--O 1.208 -1.091 0 N-CA-C 107.205 -1.406 . . . . 44.93 107.205 173.845 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' ALA . . . . . 0.498 ' HA ' HD22 ' B' ' 18' ' ' LEU . . . -64.01 -41.75 97.37 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-O 122.301 1.048 . . . . 24.890000000000001 109.701 -179.695 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' PHE . . . . . 0.409 ' HD2' ' CG ' ' B' ' 68' ' ' PHE . 85.4 t80 -51.02 -46.62 61.63 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.47 -0.787 . . . . 22.5 110.473 176.678 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -61.75 -23.92 66.48 Favored 'General case' 0 CA--C 1.481 -1.708 0 CA-C-N 115.63 -0.713 . . . . 32.68 112.129 -177.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.55 HD13 ' O ' ' B' ' 109' ' ' HOH . 0.0 OUTLIER -66.16 -30.67 71.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 O-C-N 124.363 1.039 . . . . 32.079999999999998 110.621 175.236 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.591 ' O ' ' HB3' ' B' ' 31' ' ' GLU . 52.3 m-85 -93.98 -40.68 9.98 Favored 'General case' 0 N--CA 1.432 -1.361 0 C-N-CA 120.115 -0.634 . . . . 28.18 110.384 178.37 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.1 t0 -83.44 71.17 10.3 Favored 'General case' 0 C--N 1.307 -1.256 0 N-CA-C 108.886 -0.783 . . . . 31.870000000000001 108.886 177.747 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 6.9 mmtm -67.16 -36.43 81.8 Favored 'General case' 0 C--O 1.248 0.982 0 N-CA-C 113.711 1.004 . . . . 44.060000000000002 113.711 -171.285 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 56.8 p-10 -76.54 3.43 11.39 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 119.384 -0.927 . . . . 42.450000000000003 111.949 175.536 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.32 22.1 55.27 Favored Glycine 0 C--O 1.213 -1.186 0 CA-C-O 119.012 -0.882 . . . . 36.740000000000002 113.557 176.882 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -79.42 0.52 28.99 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.212 1.506 . . . . 40.25 113.583 179.256 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . 89.57 4.64 73.0 Favored Glycine 0 C--O 1.202 -1.894 0 N-CA-C 109.794 -1.322 . . . . 29.640000000000001 109.794 172.904 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 46.2 p -133.13 149.02 52.12 Favored 'General case' 0 C--N 1.314 -0.976 0 O-C-N 121.776 -0.838 . . . . 31.190000000000001 109.864 177.048 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 27' ' ' ILE . . . . . . . . . . . . . 76.9 mt -106.21 125.46 61.86 Favored 'Isoleucine or valine' 0 N--CA 1.419 -1.993 0 N-CA-C 103.096 -2.928 . . . . 26.600000000000001 103.096 172.783 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 28' ' ' THR . . . . . 0.565 ' HB ' ' NZ ' ' B' ' 30' ' ' LYS . 81.9 p -88.82 171.33 10.02 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-O 121.874 0.845 . . . . 31.949999999999999 111.398 173.73 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 29' ' ' THR . . . . . 0.83 HG22 HG13 ' B' ' 52' ' ' ILE . 31.1 p -62.39 -37.3 85.24 Favored 'General case' 0 CA--C 1.5 -0.969 0 N-CA-C 106.452 -1.684 . . . . 37.539999999999999 106.452 174.332 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.565 ' NZ ' ' HB ' ' B' ' 28' ' ' THR . 6.7 mtmm -61.37 -49.05 78.49 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-O 118.872 -0.585 . . . . 43.689999999999998 110.295 178.422 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.591 ' HB3' ' O ' ' B' ' 19' ' ' PHE . 36.8 mt-10 -59.8 -44.02 94.15 Favored 'General case' 0 CA--C 1.489 -1.386 0 C-N-CA 117.908 -1.517 . . . . 29.899999999999999 111.981 176.998 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.676 ' O ' ' HG2' ' B' ' 36' ' ' MET . 38.5 tp -57.19 -47.31 81.57 Favored 'General case' 0 C--O 1.206 -1.223 0 O-C-N 124.209 0.943 . . . . 25.739999999999998 109.134 177.866 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.623 ' CA ' HD21 ' B' ' 48' ' ' LEU . . . -60.26 -45.53 95.92 Favored Glycine 0 C--O 1.208 -1.514 0 CA-C-O 118.399 -1.223 . . . . 33.170000000000002 113.041 177.796 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 34' ' ' THR . . . . . 0.489 HG22 ' O ' ' B' ' 30' ' ' LYS 0.327 0.6 OUTLIER -63.7 -40.93 98.01 Favored 'General case' 0 C--O 1.206 -1.198 0 CA-C-N 118.548 1.174 . . . . 36.32 110.115 176.316 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 35' ' ' VAL . . . . . . . . . . . . . 46.9 t -65.71 -51.86 57.16 Favored 'Isoleucine or valine' 0 C--O 1.192 -1.961 0 C-N-CA 116.403 -2.119 . . . . 31.170000000000002 110.996 173.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 36' ' ' MET . . . . . 0.676 ' HG2' ' O ' ' B' ' 32' ' ' LEU . 95.0 mmm -50.57 -46.51 57.74 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.625 -0.672 . . . . 41.740000000000002 111.323 177.088 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.433 ' HA ' ' O ' ' B' ' 41' ' ' GLN . 80.4 mtm-85 -62.78 -48.57 78.57 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 119.298 -0.961 . . . . 46.990000000000002 111.958 -179.007 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 38' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -46.61 -29.35 1.79 Allowed 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.605 1.162 . . . . 38.520000000000003 113.955 170.408 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 39' ' ' LEU . . . . . . . . . . . . . 48.9 mt -89.99 6.73 40.91 Favored 'General case' 0 N--CA 1.424 -1.762 0 CA-C-N 116.074 -0.512 . . . . 37.530000000000001 110.433 179.669 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 40' ' ' GLY . . . . . . . . . . . . . . . 84.32 1.73 89.34 Favored Glycine 0 C--O 1.238 0.404 0 N-CA-C 107.957 -2.057 . . . . 43.640000000000001 107.957 171.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.433 ' O ' ' HA ' ' B' ' 37' ' ' ARG . 54.7 mm-40 -79.57 159.1 26.98 Favored 'General case' 0 CA--C 1.501 -0.923 0 CA-C-O 123.047 1.403 . . . . 49.689999999999998 108.233 173.775 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 42' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -140.79 69.5 30.17 Favored Pre-proline 0 C--N 1.313 -0.992 0 N-CA-C 104.339 -2.467 . . . . 51.460000000000001 104.339 -176.045 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 43' ' ' PRO . . . . . . . . . . . . . 86.3 Cg_endo -81.03 145.37 15.49 Favored 'Trans proline' 0 N--CA 1.436 -1.9 0 N-CA-C 108.758 -1.285 . . . . 47.460000000000001 108.758 178.642 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 37.6 p -67.59 167.37 13.12 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 114.954 -1.021 . . . . 49.280000000000001 109.018 172.742 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.3 -57.98 4.62 Favored 'General case' 0 C--O 1.21 -1.014 0 CA-C-N 115.401 -0.818 . . . . 57.670000000000002 110.49 167.482 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . -59.44 -32.64 70.39 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 114.508 1.299 . . . . 41.780000000000001 114.508 -177.995 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 47' ' ' GLU . . . . . 0.529 ' O ' ' HG3' ' B' ' 51' ' ' MET . 5.8 mt-10 -68.14 -46.21 71.46 Favored 'General case' 0 C--O 1.211 -0.949 0 C-N-CA 119.23 -0.988 . . . . 41.990000000000002 109.114 176.139 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 48' ' ' LEU . . . . . 0.623 HD21 ' CA ' ' B' ' 33' ' ' GLY . 0.0 OUTLIER -58.0 -46.32 85.43 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-O 122.964 1.364 . . . . 36.32 110.383 176.047 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.801 ' NE2' HG21 ' B' ' 29' ' ' THR . 11.6 tp-100 -64.32 -41.52 96.77 Favored 'General case' 0 N--CA 1.429 -1.489 0 CA-C-N 113.479 -1.691 . . . . 40.359999999999999 111.943 -179.008 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' B' ' 54' ' ' GLU . 12.8 t70 -58.51 -44.68 89.59 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 108.357 -0.979 . . . . 45.0 108.357 176.381 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 51' ' ' MET . . . . . 0.529 ' HG3' ' O ' ' B' ' 47' ' ' GLU . 34.9 mtt -65.73 -43.99 87.37 Favored 'General case' 0 CA--C 1.48 -1.75 0 N-CA-C 107.34 -1.355 . . . . 34.719999999999999 107.34 -175.662 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 52' ' ' ILE . . . . . 0.83 HG13 HG22 ' B' ' 29' ' ' THR . 9.4 mm -59.03 -46.29 91.83 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.635 0 CA-C-O 121.722 0.772 . . . . 28.059999999999999 110.149 175.706 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 53' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -68.45 -35.62 77.85 Favored 'General case' 0 CA--C 1.476 -1.869 0 CA-C-N 115.4 -0.818 . . . . 30.550000000000001 110.151 -168.522 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 54' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 50' ' ' ASP . 6.3 mm-40 -68.24 -26.98 65.96 Favored 'General case' 0 C--N 1.311 -1.1 0 C-N-CA 116.601 -2.039 . . . . 51.329999999999998 111.515 -175.483 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.5 HG11 ' SD ' ' B' ' 71' ' ' MET . 25.6 m -111.87 -3.73 10.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.319 0 C-N-CA 119.141 -1.024 . . . . 28.670000000000002 111.755 -178.442 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 56' ' ' ASP . . . . . . . . . . . . . 30.0 t0 -79.96 78.79 6.56 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 105.822 -1.918 . . . . 30.879999999999999 105.822 177.156 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.1 -26.69 68.66 Favored 'General case' 0 C--O 1.194 -1.849 0 CA-C-N 115.2 -0.909 . . . . 30.690000000000001 112.869 -170.369 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 53.7 p30 -104.43 14.85 29.35 Favored 'General case' 0 C--O 1.203 -1.388 0 C-N-CA 118.795 -1.162 . . . . 33.259999999999998 111.21 179.021 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 59' ' ' GLY . . . . . . . . . . . . . . . 45.93 31.49 4.2 Favored Glycine 0 C--O 1.209 -1.424 0 C-N-CA 124.982 1.277 . . . . 32.920000000000002 115.723 -179.087 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 42.0 p-10 -86.85 14.3 7.47 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 116.262 -2.175 . . . . 31.5 109.511 177.392 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.47 -16.79 47.57 Favored Glycine 0 C--O 1.205 -1.66 0 C-N-CA 119.213 -1.47 . . . . 31.989999999999998 113.399 173.041 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 62' ' ' THR . . . . . . . . . . . . . 56.7 p -129.87 164.05 25.0 Favored 'General case' 0 CA--C 1.488 -1.433 0 C-N-CA 117.266 -1.773 . . . . 27.579999999999998 108.459 -179.866 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 63' ' ' ILE . . . . . 0.771 HD11 ' HB2' ' B' ' 68' ' ' PHE . 0.4 OUTLIER -106.12 121.78 58.98 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 C-N-CA 115.598 -2.441 . . . . 26.640000000000001 112.16 -179.133 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 64' ' ' ASP . . . . . . . . . . . . . 32.3 p30 -93.68 176.93 6.18 Favored 'General case' 0 N--CA 1.436 -1.162 0 N-CA-C 105.408 -2.071 . . . . 34.530000000000001 105.408 -176.6 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 65' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -64.1 -39.32 43.0 Favored Pre-proline 0 N--CA 1.407 -2.625 0 C-N-CA 116.538 -2.065 . . . . 21.109999999999999 113.118 -176.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 66' ' ' PRO . . . . . 0.626 ' O ' HG23 ' B' ' 70' ' ' THR . 55.8 Cg_exo -57.41 -40.26 82.86 Favored 'Trans proline' 0 CA--C 1.485 -1.952 0 C-N-CA 113.445 -3.903 . . . . 17.210000000000001 115.434 176.034 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -70.66 -39.07 73.8 Favored 'General case' 0 C--O 1.193 -1.878 0 C-N-CA 119.21 -0.996 . . . . 21.960000000000001 111.991 178.187 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 68' ' ' PHE . . . . . 0.771 ' HB2' HD11 ' B' ' 63' ' ' ILE . 81.2 t80 -58.22 -48.83 79.13 Favored 'General case' 0 C--O 1.2 -1.54 0 C-N-CA 119.079 -1.048 . . . . 26.18 110.006 174.952 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.686 HD12 HD12 ' A' ' 69' ' ' LEU 0.291 0.0 OUTLIER -62.69 -43.15 99.54 Favored 'General case' 0 N--CA 1.433 -1.301 0 N-CA-C 107.709 -1.219 . . . . 22.670000000000002 107.709 -175.758 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 70' ' ' THR . . . . . 0.626 HG23 ' O ' ' B' ' 66' ' ' PRO 0.61 0.5 OUTLIER -54.09 -49.33 69.34 Favored 'General case' 0 C--O 1.201 -1.491 0 C-N-CA 118.57 -1.252 . . . . 23.550000000000001 111.773 173.289 . . . . . . . . 4 4 . 1 . 001 ecloud nobuild full ' B' B ' 71' ' ' MET . . . . . 0.651 ' HE2' ' HE2' ' B' ' 72' ' ' MET . 54.1 ttp -57.76 -49.41 76.66 Favored 'General case' 0 C--O 1.183 -2.418 0 C-N-CA 118.987 -1.085 . . . . 23.829999999999998 110.166 177.523 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 72' ' ' MET . . . . . 0.651 ' HE2' ' HE2' ' B' ' 71' ' ' MET . 18.6 mmt -70.96 -41.57 70.9 Favored 'General case' 0 C--O 1.2 -1.551 0 N-CA-C 110.02 -0.363 . . . . 27.829999999999998 110.02 -171.653 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.48 -37.17 84.51 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 107.53 -1.285 . . . . 22.059999999999999 107.53 178.707 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.704 ' HD3' ' O ' ' B' ' 107' ' ' HOH . 40.4 ttp-105 -67.33 -42.5 83.49 Favored 'General case' 0 CA--C 1.57 1.73 0 CA-C-O 122.565 1.174 . . . . 44.109999999999999 110.502 179.79 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 75' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -60.41 -41.94 94.93 Favored 'General case' 0 N--CA 1.412 -2.345 0 O-C-N 121.047 -1.033 . . . . 28.140000000000001 109.628 176.892 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 76' ' ' MET . . . . . . . . . . . . . 32.8 ttp -64.64 -51.74 61.04 Favored 'General case' 0 N--CA 1.43 -1.467 0 N-CA-C 107.227 -1.397 . . . . 35.890000000000001 107.227 -175.748 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.57 ' HE2' ' O ' ' B' ' 77' ' ' LYS . 0.0 OUTLIER -59.09 -40.79 86.38 Favored 'General case' 0 N--CA 1.425 -1.713 0 N-CA-C 114.527 1.306 . . . . 43.090000000000003 114.527 174.707 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 78' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -62.96 -44.88 94.84 Favored 'General case' 0 C--O 1.192 -1.943 0 O-C-N 121.037 -1.039 . . . . 29.41 111.332 176.626 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 79' ' ' THR . . . . . . . . . . . . . 96.9 m -56.79 -53.65 55.4 Favored 'General case' 0 CA--C 1.497 -1.068 0 O-C-N 124.244 0.965 . . . . 27.91 111.265 175.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 80' ' ' ASP . . . . . . . . . . . . 0.273 0.3 OUTLIER -53.77 138.22 36.15 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 101.695 -3.446 . . . . 43.57 101.695 172.813 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 81' ' ' SER . . . . . 0.633 ' HA ' ' HB3' ' B' ' 84' ' ' GLU . 3.5 t 96.34 -55.05 0.01 OUTLIER 'General case' 0 C--N 1.268 -2.941 2 C-N-CA 100.759 -8.376 . . . . 25.829999999999998 111.972 171.285 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 82' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -64.41 -36.26 83.58 Favored 'General case' 0 CA--C 1.511 -0.554 0 C-N-CA 117.046 -1.862 . . . . 37.32 107.465 158.745 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 83' ' ' GLU . . . . . 0.543 ' OE2' ' HD3' ' B' ' 86' ' ' ARG . 1.8 mm-40 -72.99 -37.55 66.95 Favored 'General case' 0 N--CA 1.397 -3.089 0 CA-C-N 114.586 -1.188 . . . . 49.25 110.363 177.645 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 84' ' ' GLU . . . . . 0.633 ' HB3' ' HA ' ' B' ' 81' ' ' SER . 23.8 tt0 -54.23 -54.31 41.76 Favored 'General case' 0 N--CA 1.431 -1.384 0 C-N-CA 125.332 1.453 . . . . 43.5 111.162 169.099 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' B' B ' 85' ' ' ILE . . . . . . . . . . . . . 94.0 mt -66.16 -35.98 76.33 Favored 'Isoleucine or valine' 0 N--CA 1.421 -1.889 0 O-C-N 121.656 -0.653 . . . . 27.91 111.261 178.321 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 86' ' ' ARG . . . . . 0.543 ' HD3' ' OE2' ' B' ' 83' ' ' GLU . 0.1 OUTLIER -55.58 -41.95 74.06 Favored 'General case' 0 C--O 1.193 -1.904 0 N-CA-C 108.551 -0.907 . . . . 51.840000000000003 108.551 174.314 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' B' B ' 87' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -69.07 -38.49 79.09 Favored 'General case' 0 CA--C 1.485 -1.535 0 C-N-CA 123.015 0.526 . . . . 43.850000000000001 109.731 -175.84 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.29 -43.84 96.75 Favored 'General case' 0 N--CA 1.4 -2.952 0 O-C-N 124.773 1.295 . . . . 27.34 109.305 174.705 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.783 ' C ' ' O ' ' B' ' 124' ' ' HOH . 5.9 m-85 . . . . . 0 C--O 1.261 1.689 0 CA-C-N 119.136 0.88 . . . . 30.670000000000002 111.788 -178.585 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 91' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 92' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' HOH . . . . . 0.89 ' O ' ' HE3' ' A' ' 21' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' HOH . . . . . 0.895 ' O ' HG21 ' A' ' 28' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 109' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 112' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 113' ' ' HOH . . . . . 0.764 ' O ' ' HB2' ' A' ' 6' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 115' ' ' HOH . . . . . 0.434 ' O ' ' NE ' ' A' ' 74' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 93' ' ' HOH . . . . . 0.549 ' O ' HG21 ' A' ' 70' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 94' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 95' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 96' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 97' ' ' HOH . . . . . 0.475 ' O ' HG21 ' B' ' 70' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 98' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 99' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 100' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 103' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 104' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 105' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 106' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 107' ' ' HOH . . . . . 0.704 ' O ' ' HD3' ' B' ' 74' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 108' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 109' ' ' HOH . . . . . 0.55 ' O ' HD13 ' B' ' 18' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 110' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 111' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 112' ' ' HOH . . . . . 0.415 ' O ' ' NH1' ' B' ' 86' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 113' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 114' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 115' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 116' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 117' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 118' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 119' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 120' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 121' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 122' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 123' ' ' HOH . . . . . 0.555 ' O ' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 124' ' ' HOH . . . . . 0.783 ' O ' ' C ' ' B' ' 89' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 125' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_